ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B RAW_VALUE_C BSUB_VALUE_C Z_SCORE_C COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A01 compound treatment 0.007 -0.0046255 -0.0241 0.128 0.10773 0.5987 -0.214 -0.23638 -1.3368 -0.4401 -0.3004 3117644 ChemDiv3_000353 Brc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A02 compound treatment -0.276 -0.28763 -1.4992 -0.065 -0.08527 -0.4739 -0.221 -0.24338 -1.3764 -1.9338 -0.9254 1625003 ChemDiv3_000354 NS(=O)(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A03 compound treatment -0.013 -0.024626 -0.1284 -0.135 -0.15527 -0.8629 0.089 0.06662 0.3767 -0.3548 -0.3733 1914243 ChemDiv3_000355 O=C(Oc1ccc2ccccc2c1)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A04 compound treatment 0.087 0.075374 0.3929 -0.102 -0.12227 -0.6795 -0.227 -0.24938 -1.4103 -0.9797 -0.607 1922486 ChemDiv3_000356 O=C/1NC(=S)S\C1=C\Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A05 compound treatment -0.006 -0.017626 -0.0919 -0.025 -0.04527 -0.2516 -0.267 -0.28938 -1.6365 -1.1431 -0.6893 1148913 ChemDiv3_000357 CC(C)(C)NC(=O)c1ccc2C(=O)c3ccccc3-c4onc1c42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A06 compound treatment -0.04 -0.051626 -0.2691 -0.069 -0.08927 -0.4961 -0.355 -0.37738 -2.1342 -1.6739 -0.7583 1082370 ChemDiv3_000358 NCCSC1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A07 compound treatment -0.089 -0.10063 -0.5245 0.171 0.15073 0.8376 0.064 0.04162 0.2354 0.3167 0.3117 1561720 ChemDiv3_000359 Cc1ccc2nc(cc(C(=O)Nc3ccccc3)c2c1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A08 compound treatment 0.038 0.026374 0.1375 0.049 0.02873 0.1597 -0.083 -0.10538 -0.5959 -0.1725 -0.2729 1739494 ChemDiv3_000360 CC(=O)Nc1c(N)c2ccccc2oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A09 compound treatment -0.032 -0.043626 -0.2274 0.073 0.05273 0.293 -0.137 -0.15938 -0.9013 -0.4825 -0.495 1726014 ChemDiv3_000361 C(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)Cc4c[nH]c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A10 compound treatment -0.047 -0.058626 -0.3056 0.019 -0.00127 -0.0071 -0.052 -0.07438 -0.4206 -0.4233 -0.8142 1003179 ChemDiv3_000362 COc1ccc(cc1)C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A11 compound treatment 0.0 -0.011626 -0.0606 -0.103 -0.12327 -0.685 0.045 0.02262 0.1279 -0.3566 -0.5098 1574213 ChemDiv3_000363 COc1ccc(cc1)S(=O)(=O)NC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A12 compound treatment 0.007 -0.0046255 -0.0241 -0.069 -0.08927 -0.4961 0.015 -0.0073798 -0.0417 -0.3244 -0.6509 3117645 ChemDiv3_000364 COc1ccc(/C=N/c2ccc(cc2)C(=O)N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A13 compound treatment 0.029 0.017374 0.0906 -0.019 -0.03927 -0.2182 -0.022 -0.04438 -0.251 -0.2186 -0.6342 3019887 ChemDiv3_000365 O/N=C(/c1ccccc1)\c2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A14 compound treatment 0.441 0.42937 2.238 0.08 0.05973 0.3319 -0.189 -0.21138 -1.1954 0.7936 0.3101 1478079 ChemDiv3_000366 Fc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A15 compound treatment 0.075 0.063374 0.3303 -0.126 -0.14627 -0.8128 0.078 0.05562 0.3145 -0.097 -0.1041 3117646 ChemDiv3_000367 Cn1c2ccc(/N=C/c3ccccc3O)cc2c4nc5ccccc5nc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A16 compound treatment -0.148 -0.15963 -0.832 -0.051 -0.07127 -0.3961 -0.12 -0.14238 -0.8052 -1.1739 -0.9593 1190781 ChemDiv3_000368 Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(c4ccccc4)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A17 compound treatment -0.221 -0.23263 -1.2125 -0.232 -0.25227 -1.4019 -0.153 -0.17538 -0.9918 -2.082 -0.9904 3019890 ChemDiv3_000369 CCOC(=O)n1c(=S)oc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A18 compound treatment 0.059 0.047374 0.2469 0.039 0.01873 0.1041 -0.214 -0.23638 -1.3368 -0.5691 -0.4174 1644186 ChemDiv3_000370 CCOC(=O)COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A19 compound treatment -0.223 -0.23463 -1.2229 0.06 0.03973 0.2208 -0.25 -0.27238 -1.5404 -1.4679 -0.7417 3117647 ChemDiv3_000371 COc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A20 compound treatment -0.037 -0.048626 -0.2534 -0.048 -0.06827 -0.3794 -0.095 -0.11738 -0.6638 -0.7486 -0.9294 1428551 ChemDiv3_000372 CCCC1(CCC2(CC1)c3ccc(C#N)cc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A21 compound treatment 0.026 0.014374 0.0749 0.062 0.04173 0.2319 -0.175 -0.19738 -1.1162 -0.4673 -0.409 3019912 ChemDiv3_000373 CC(C(=O)c1ccccc1)[n+]2ccc3ccccc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A22 compound treatment -0.038 -0.049626 -0.2587 0.115 0.09473 0.5264 -0.217 -0.23938 -1.3537 -0.627 -0.425 3117648 ChemDiv3_000374 Cc1cccc(NC(=O)CN2C(=O)/C(=N\N)/c3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A23 mock treatment -0.076 -0.087626 -0.4567 -0.02 -0.04027 -0.2238 0.077 0.05462 0.3089 -0.2146 -0.3606 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 A24 mock treatment -0.007 -0.018626 -0.0971 0.022 0.00173 0.0096 0.037 0.01462 0.0827 -0.0028 -0.0216 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B01 compound treatment 0.047 0.035374 0.1844 0.0 -0.02027 -0.1126 -0.279 -0.30138 -1.7044 -0.9426 -0.5487 3117649 ChemDiv3_000375 CCOC(=O)c1ccc(/N=C/c2ccc3OCOc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B02 compound treatment -0.013 -0.024626 -0.1284 0.123 0.10273 0.5709 0.05 0.02762 0.1562 0.3457 0.5708 1617961 ChemDiv3_000376 CC(C)OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(=O)OC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B03 compound treatment 0.019 0.0073745 0.0384 -0.071 -0.09127 -0.5072 0.097 0.07462 0.422 -0.027 -0.0409 1656957 ChemDiv3_000377 CC1(CN2CN3C1)C(=O)C(C2)(C3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B04 compound treatment 0.036 0.024374 0.127 -0.074 -0.09427 -0.5239 -0.331 -0.35338 -1.9984 -1.3829 -0.6681 3117650 ChemDiv3_000378 COc1ccc(/C=C/2\C(C)CCC(C)(C(C)C)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B05 compound treatment 0.054 0.042374 0.2209 0.095 0.07473 0.4153 0.145 0.12262 0.6934 0.7676 0.9161 1688345 ChemDiv3_000379 Oc1nc2SCCCn2c(=O)c1Cc3cc(Cl)cc(Cl)c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B06 compound treatment 0.031 0.019374 0.101 0.994 0.97373 5.4112 -0.211 -0.23338 -1.3198 2.4205 0.4345 3020471 ChemDiv3_000380 COc1ccc(cc1)c2c(C)s/c(=N\c3ccc(C)cc3)/n2CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B07 compound treatment 0.032 0.020374 0.1062 0.04 0.01973 0.1096 -0.096 -0.11838 -0.6695 -0.2619 -0.3814 1735047 ChemDiv3_000381 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc3ccccc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B08 compound treatment 0.083 0.071374 0.372 -0.036 -0.05627 -0.3127 -0.323 -0.34538 -1.9532 -1.0934 -0.5433 3020472 ChemDiv3_000382 COc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B09 compound treatment 0.027 0.015374 0.0801 0.101 0.08073 0.4486 -0.151 -0.17338 -0.9805 -0.2608 -0.2412 3020473 ChemDiv3_000383 CN(C)c1ccc(/C=N/c2cc(Br)c3OCCOc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B10 compound treatment -0.077 -0.088626 -0.4619 0.335 0.31473 1.749 0.487 0.46462 2.6275 2.2601 0.7085 3020474 ChemDiv3_000384 O=C1NC(=O)C(=Cc2ccc(o2)c3ccccc3)C(=O)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B11 compound treatment 0.007 -0.0046255 -0.0241 -0.146 -0.16627 -0.924 -0.289 -0.31138 -1.7609 -1.564 -0.7864 3117651 ChemDiv3_000385 C(CSc1nc2ccccc2n1CCOc3ccccc3)Oc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B12 compound treatment 0.235 0.22337 1.1643 0.187 0.16673 0.9265 0.051 0.02862 0.1619 1.3006 0.8689 3020475 ChemDiv3_000386 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B13 compound treatment -0.049 -0.060626 -0.316 -0.081 -0.10127 -0.5628 -0.122 -0.14438 -0.8165 -0.9788 -0.9404 3117652 ChemDiv3_000387 CN1/C(=C\2/SC(=S)N(C2=O)c3ccccc3)/Sc4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B14 compound treatment -0.032 -0.043626 -0.2274 -0.014 -0.03427 -0.1904 0.076 0.05362 0.3032 -0.0662 -0.156 1709090 ChemDiv3_000388 CC(C)(C)NC(=S)NC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B15 compound treatment 0.027 0.015374 0.0801 0.024 0.00373 0.0207 0.153 0.13062 0.7387 0.4847 0.6521 1222580 ChemDiv3_000389 C(n1ccc2ccccc12)C3(OCCO3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B16 compound treatment 0.006 -0.0056255 -0.0293 -0.265 -0.28527 -1.5853 0.698 0.67562 3.8208 1.2737 0.3079 3020476 ChemDiv3_000390 Cn1c[n+](C)cc1C(O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B17 compound treatment -0.006 -0.017626 -0.0919 -0.52 -0.54027 -3.0024 0.0 -0.02238 -0.1266 -1.8595 -0.6185 3117653 ChemDiv3_000391 C(=N/c1ccc2ccccc2c1)\c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B18 compound treatment 0.158 0.14637 0.7629 -0.208 -0.22827 -1.2685 0.136 0.11362 0.6425 0.0791 0.049 3117654 ChemDiv3_000392 CC1(C)Cc2ccccc2/C(=N/c3nc(cs3)c4ccccc4)/N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B19 compound treatment -0.12 -0.13163 -0.6861 0.047 0.02673 0.1485 -0.031 -0.05338 -0.3019 -0.4846 -0.6342 1338386 ChemDiv3_000393 CCC1(CC2CC3(O)CC(O)(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B20 compound treatment 0.076 0.064374 0.3355 -0.145 -0.16527 -0.9184 -0.073 -0.09538 -0.5394 -0.648 -0.5802 1917487 ChemDiv3_000394 CC(/N=C/c1c(O)ccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B21 compound treatment -0.082 -0.093626 -0.488 0.02 -2.7002E-4 -0.0015 -0.053 -0.07538 -0.4263 -0.5287 -0.816 3117655 ChemDiv3_000395 S=C/1OC(=C\C1=C/N2CCCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B22 compound treatment -0.025 -0.036626 -0.1909 -0.038 -0.05827 -0.3238 -0.152 -0.17438 -0.9861 -0.8665 -0.8211 3020477 ChemDiv3_000396 Cc1c(/N=C/2\SCC(=O)N2/N=C\c3ccc(Br)cc3)c(=O)n(c4ccccc4)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B23 mock treatment 0.007 -0.0046255 -0.0241 0.086 0.06573 0.3653 -0.038 -0.06038 -0.3415 -2.0E-4 -3.0E-4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 B24 mock treatment 0.102 0.090374 0.4711 0.209 0.18873 1.0488 0.176 0.15362 0.8688 1.3791 0.957 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C01 compound treatment 0.182 0.17037 0.888 0.048 0.02773 0.1541 -0.056 -0.07838 -0.4433 0.3458 0.3442 3117656 ChemDiv3_000397 O/N=C\1/C(=O)N(CC(=O)Nc2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C02 compound treatment -0.065 -0.076626 -0.3994 -0.179 -0.19927 -1.1074 -0.048 -0.07038 -0.398 -1.0997 -0.885 1329935 ChemDiv3_000398 O=C1N(CCC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C03 compound treatment 0.019 0.0073745 0.0384 -0.037 -0.05727 -0.3183 -0.182 -0.20438 -1.1558 -0.8289 -0.691 3020478 ChemDiv3_000399 Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C04 compound treatment 0.056 0.044374 0.2313 0.35 0.32973 1.8324 -0.101 -0.12338 -0.6977 0.7886 0.3994 3117657 ChemDiv3_000400 Cc1cc(C)c2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C05 compound treatment 0.085 0.073374 0.3824 -0.012 -0.03227 -0.1793 -0.085 -0.10738 -0.6073 -0.2333 -0.3154 1721945 ChemDiv3_000401 Cc1ccc2c(=O)c(coc2c1)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C06 compound treatment 0.072 0.060374 0.3147 -0.041 -0.06127 -0.3405 0.045 0.02262 0.1279 0.059 0.1226 1169311 ChemDiv3_000402 OC(=O)CSC1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C07 compound treatment -0.011 -0.022626 -0.1179 -0.177 -0.19727 -1.0963 -0.108 -0.13038 -0.7373 -1.1267 -0.8494 3117658 ChemDiv3_000403 COc1ccc(/C=C/2\CCCC3=C2NC(=S)NC3c4ccc(OC)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C08 compound treatment -0.073 -0.084626 -0.4411 -0.268 -0.28827 -1.602 -0.013 -0.03538 -0.2001 -1.2951 -0.7738 1345307 ChemDiv3_000404 Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C09 compound treatment 0.045 0.033374 0.174 0.0 -0.02027 -0.1126 0.014 -0.0083798 -0.0474 0.008 0.0378 3117659 ChemDiv3_000405 Cc1sc(/N=C/c2ccccc2O)c(C#N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C10 compound treatment 0.057 0.045374 0.2365 0.0 -0.02027 -0.1126 -0.032 -0.05438 -0.3075 -0.106 -0.2625 1625198 ChemDiv3_000406 COc1ccc(cc1OC)c2cnn(c2N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C11 compound treatment -0.05 -0.061626 -0.3212 -0.142 -0.16227 -0.9018 -0.129 -0.15138 -0.8561 -1.2003 -0.9347 1460903 ChemDiv3_000407 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C12 compound treatment -0.048 -0.059626 -0.3108 -0.235 -0.25527 -1.4186 -0.329 -0.35138 -1.9871 -2.1457 -0.8718 3020479 ChemDiv3_000408 Fc1ccccc1/C=N/c2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C13 compound treatment 0.109 0.097374 0.5075 -0.054 -0.07427 -0.4127 -0.079 -0.10138 -0.5733 -0.2763 -0.3176 1489098 ChemDiv3_000409 CN1C2CCC1CC(C2)OC(=O)CCN3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C14 compound treatment 0.019 0.0073745 0.0384 -0.052 -0.07227 -0.4016 -0.055 -0.07738 -0.4376 -0.4623 -0.7768 3117660 ChemDiv3_000410 CC(=O)NC1C(O)C(O)C(CO)OC1OCCOc2ccc(Cl)cc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C15 compound treatment 0.05 0.038374 0.2 -0.057 -0.07727 -0.4294 -0.153 -0.17538 -0.9918 -0.7051 -0.6415 3020480 ChemDiv3_000411 Fc1ccccc1/C=C\2/SC(=O)N(CN3CCCCC3)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C16 compound treatment 0.129 0.11737 0.6118 -0.107 -0.12727 -0.7073 -0.067 -0.08938 -0.5055 -0.347 -0.3264 3117661 ChemDiv3_000412 Cc1cs/c(=N\c2ccccc2)/n1CC(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C17 compound treatment -0.012 -0.023626 -0.1231 -0.14 -0.16027 -0.8906 -0.078 -0.10038 -0.5677 -0.9131 -0.8587 1338722 ChemDiv3_000413 O=c1oc2ccccc2n1CNc3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C18 compound treatment 0.048 0.036374 0.1896 0.039 0.01873 0.1041 -0.105 -0.12738 -0.7204 -0.2463 -0.3275 3117662 ChemDiv3_000414 CCOc1ccc(cc1)[n+]2c(cn3CCCc32)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C19 compound treatment 0.491 0.47937 2.4986 -0.072 -0.09227 -0.5128 0.144 0.12162 0.6878 1.5436 0.5843 3117663 ChemDiv3_000415 CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C20 compound treatment -0.222 -0.23363 -1.2177 -0.168 -0.18827 -1.0462 -0.161 -0.18338 -1.037 -1.9058 -0.9972 3020481 ChemDiv3_000416 CC(=C)C(=O)Nc1ccc(O)c(c1)c2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C21 compound treatment 0.051 0.039374 0.2052 0.171 0.15073 0.8376 -0.125 -0.14738 -0.8335 0.1209 0.1008 3117664 ChemDiv3_000417 CC(C(=O)c1ccccc1)[n+]2cccc(C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C22 compound treatment 0.03 0.018374 0.0958 0.006 -0.01427 -0.0793 0.081 0.05862 0.3315 0.2009 0.5674 3020482 ChemDiv3_000418 N/C(=N\O)/C[n+]1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C23 mock treatment -0.119 -0.13063 -0.6809 0.031 0.01073 0.0596 0.06 0.03762 0.2127 -0.2358 -0.3295 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 C24 mock treatment -0.079 -0.090626 -0.4724 -0.067 -0.08727 -0.485 0.105 0.08262 0.4672 -0.283 -0.344 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D01 compound treatment -0.103 -0.11463 -0.5975 -0.342 -0.36227 -2.0132 -0.143 -0.16538 -0.9353 -2.0472 -0.8906 3117665 ChemDiv3_000419 Brc1ccc(/C=N\C2C3CC4CC(C3)CC2C4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D02 compound treatment 0.028 0.016374 0.0853 0.231 0.21073 1.1711 0.013 -0.0093798 -0.053 0.6948 0.5911 1642252 ChemDiv3_000420 CC(C(CC(=O)O)C(=O)O)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D03 compound treatment -0.006 -0.017626 -0.0919 -0.084 -0.10427 -0.5794 -0.034 -0.05638 -0.3188 -0.5717 -0.8561 1348263 ChemDiv3_000421 CC(C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D04 compound treatment 0.013 0.0013745 0.0072 0.042 0.02173 0.1208 -0.2 -0.22238 -1.2576 -0.6522 -0.5162 1509351 ChemDiv3_000422 COc1ccc(cc1OC)C(=O)Nc2ccc3C(=O)N(C)C(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D05 compound treatment 0.039 0.027374 0.1427 -0.019 -0.03927 -0.2182 0.0 -0.02238 -0.1266 -0.1167 -0.4026 3020483 ChemDiv3_000423 CCN1C(=O)C(=Cc2ccc(cc2)N(C)C)C(=O)N(CC)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D06 compound treatment -0.05 -0.061626 -0.3212 0.37 0.34973 1.9435 -0.132 -0.15438 -0.873 0.4326 0.2008 3117666 ChemDiv3_000424 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(o2)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D07 compound treatment 0.145 0.13337 0.6952 -0.044 -0.06427 -0.3572 0.076 0.05362 0.3032 0.3702 0.4416 1529711 ChemDiv3_000425 Oc1cc2ccccc2cc1C(=O)Nc3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D08 compound treatment 0.039 0.027374 0.1427 0.07 0.04973 0.2764 2.696 2.6736 8.4206 5.1036 0.6057 3117667 ChemDiv3_000426 CN(C)c1ccc(cc1)c2cccc([o+]2)c3ccc(cc3)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D09 compound treatment -0.075 -0.086626 -0.4515 -0.237 -0.25727 -1.4297 0.049 0.02662 0.1505 -0.9992 -0.6631 3020484 ChemDiv3_000427 Nc1nc2ccc(cc2s1)c3nc4ccccc4o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D10 compound treatment -0.006 -0.017626 -0.0919 0.059 0.03873 0.2152 0.045 0.02262 0.1279 0.1451 0.544 3117668 ChemDiv3_000428 Cn1c(c(/C=C\2/C(=O)Oc3ccccc3C2=O)c4ccccc14)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D11 compound treatment 0.152 0.14037 0.7317 -0.301 -0.32127 -1.7853 -0.25 -0.27238 -1.5404 -1.4977 -0.6066 3020485 ChemDiv3_000429 CCC1SC2=NCN(CN2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D12 compound treatment -0.078 -0.089626 -0.4671 -0.197 -0.21727 -1.2074 -0.125 -0.14738 -0.8335 -1.448 -0.9404 1918348 ChemDiv3_000430 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D13 compound treatment 0.05 0.038374 0.2 -0.219 -0.23927 -1.3297 0.327 0.30462 1.7227 0.3424 0.1567 3117669 ChemDiv3_000431 CCN1/C(=C\2/SC(=S)NC2=O)/Sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D14 compound treatment 0.151 0.13937 0.7265 -0.068 -0.08827 -0.4905 -0.277 -0.29938 -1.693 -0.8413 -0.4413 1556840 ChemDiv3_000432 Cc1ccc(NC(=S)NC(=O)C2(CC3CC4C2)CC(C3)CC4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D15 compound treatment -0.066 -0.077626 -0.4046 -0.048 -0.06827 -0.3794 -0.084 -0.10638 -0.6016 -0.8 -0.9776 1257795 ChemDiv3_000433 O=C1CSC(N1CCc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D16 compound treatment -0.051 -0.062626 -0.3264 -0.152 -0.17227 -0.9573 1.309 1.2866 6.3409 2.9197 0.4547 3020486 ChemDiv3_000434 C[n+]1cc(ccc1/C=N/O)C(=O)NCCC[N+]2(C)CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D17 compound treatment 0.035 0.023374 0.1218 -0.287 -0.30727 -1.7075 0.138 0.11562 0.6539 -0.538 -0.2936 1486295 ChemDiv3_000435 C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5cccnc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D18 compound treatment 0.082 0.070374 0.3668 -0.062 -0.08227 -0.4572 -0.116 -0.13838 -0.7826 -0.504 -0.5155 3117670 ChemDiv3_000436 Cc1cc2CC(C)(C)N/C(=N\c3ccccc3)/c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D19 compound treatment -0.073 -0.084626 -0.4411 -0.27 -0.29027 -1.6131 -0.106 -0.12838 -0.726 -1.6051 -0.8804 1377733 ChemDiv3_000437 OC(=O)C1(CC2CC3C1)CC(C2)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D20 compound treatment 0.0 -0.011626 -0.0606 2.873 2.8527 8.4454 -0.225 -0.24738 -1.399 4.0333 0.4711 1712241 ChemDiv3_000438 CCOc1ccc(Nc2nc3cc(C)ccc3cc2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D21 compound treatment 0.05 0.038374 0.2 -0.062 -0.08227 -0.4572 -0.032 -0.05438 -0.3075 -0.326 -0.5562 3020487 ChemDiv3_000439 N/C=C/1\C=C(OC1=S)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D22 compound treatment -0.25 -0.26163 -1.3637 0.041 0.02073 0.1152 0.118 0.09562 0.5408 -0.4086 -0.2777 3117671 ChemDiv3_000440 Cc1cccc(Nc2nc3ccccn3c(=O)c2/C=N/c4cccc(C)c4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D23 mock treatment -0.031 -0.042626 -0.2222 0.141 0.12073 0.6709 0.204 0.18162 1.0271 0.8521 0.6834 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 D24 mock treatment -0.101 -0.11263 -0.587 0.042 0.02173 0.1208 -0.045 -0.06738 -0.381 -0.4892 -0.6888 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E01 compound treatment -0.036 -0.047626 -0.2482 -0.101 -0.12127 -0.6739 -0.129 -0.15138 -0.8561 -1.0267 -0.9188 3020488 ChemDiv3_000441 O=C/1NC(=S)N\C1=C/c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E02 compound treatment 0.172 0.16037 0.8359 0.16 0.13973 0.7765 -0.064 -0.08638 -0.4885 0.6489 0.5228 1159657 ChemDiv3_000442 CC1SC(=NC1(O)C2(CC3CC4CC(C3)C2)C4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E03 compound treatment -0.104 -0.11563 -0.6027 0.031 0.01073 0.0596 0.061 0.03862 0.2184 -0.1874 -0.2911 1407431 ChemDiv3_000443 Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E04 compound treatment -0.207 -0.21863 -1.1395 3.381 3.3607 8.8508 -0.116 -0.13838 -0.7826 4.0003 0.4466 1509204 ChemDiv3_000444 COC(=O)C(C)Nc1cccc(Br)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E05 compound treatment 1.451 1.4394 6.1759 -0.295 -0.31527 -1.752 5.109 5.0866 9.9427 8.2945 0.7008 3117672 ChemDiv3_000445 O=C(/C=C/c1ccco1)/C=C/c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E06 compound treatment -0.07 -0.081626 -0.4255 0.021 7.2998E-4 0.0041 0.043 0.02062 0.1166 -0.176 -0.3989 1168228 ChemDiv3_000446 CNC1(CC2CC3CC(S)(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E07 compound treatment 0.193 0.18137 0.9454 0.066 0.04573 0.2541 0.202 0.17962 1.0158 1.279 0.9066 3117673 ChemDiv3_000447 OC(=O)CCC(=O)N1N=C/2C(CCC\C2=C/c3ccc(F)cc3)C1c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E08 compound treatment -0.229 -0.24063 -1.2542 -0.019 -0.03927 -0.2182 -0.179 -0.20138 -1.1388 -1.5076 -0.8826 1139169 ChemDiv3_000448 C1CCN(CC1)Sc2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E09 compound treatment -0.058 -0.069626 -0.3629 0.119 0.09873 0.5487 -0.261 -0.28338 -1.6026 -0.818 -0.4722 1916119 ChemDiv3_000449 Brc1ccc(cc1)C(=O)COC(=O)c2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E10 compound treatment -0.106 -0.11763 -0.6131 0.16 0.13973 0.7765 -0.178 -0.20038 -1.1332 -0.5599 -0.3722 3020489 ChemDiv3_000450 Oc1ccc(Br)cc1/C=N/c2cc3OCCOc3cc2Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E11 compound treatment 0.013 0.0013745 0.0072 0.032 0.01173 0.0652 -0.25 -0.27238 -1.5404 -0.8476 -0.5497 3117674 ChemDiv3_000451 NC(=S)NC(=O)/C=C/c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E12 compound treatment -0.107 -0.11863 -0.6183 -0.084 -0.10427 -0.5794 -0.221 -0.24338 -1.3764 -1.4862 -0.9195 3020490 ChemDiv3_000452 Fc1ccc(/N=C/c2ccccc2F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E13 compound treatment -0.007 -0.018626 -0.0971 -0.072 -0.09227 -0.5128 -0.058 -0.08038 -0.4546 -0.6145 -0.888 1516214 ChemDiv3_000453 CN(Cc1ccccc1)C(=O)CN2CCCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E14 compound treatment -0.146 -0.15763 -0.8216 -0.06 -0.08027 -0.4461 -0.066 -0.08838 -0.4998 -1.0204 -0.9626 1022614 ChemDiv3_000454 OCCNC(=O)COc1ccc(Cl)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E15 compound treatment -0.013 -0.024626 -0.1284 0.025 0.00473 0.0263 -0.116 -0.13838 -0.7826 -0.5107 -0.6437 3117675 ChemDiv3_000455 Cc1ccc(cc1)c2cs/c(=N/C(=O)Nc3ccccc3)/[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E16 compound treatment -0.084 -0.095626 -0.4984 -0.073 -0.09327 -0.5183 -0.165 -0.18738 -1.0597 -1.1988 -0.9361 3020491 ChemDiv3_000456 Clc1ccc(cc1Cl)c2cnc3CCCn23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E17 compound treatment -0.226 -0.23763 -1.2386 5.121 5.1007 9.7792 2.036 2.0136 7.6453 9.345 0.7491 3117676 ChemDiv3_000457 CCSc1nnc(NC(=O)/C=C/c2ccccc2)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E18 compound treatment 0.084 0.072374 0.3772 -0.011 -0.03127 -0.1738 0.377 0.35462 2.0054 1.2753 0.6227 1523604 ChemDiv3_000458 CC(C)C1CCC(C)CC1OCC(O)C[N+]2(C)CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E19 compound treatment 0.444 0.43237 2.2536 -0.019 -0.03927 -0.2182 -0.095 -0.11738 -0.6638 0.7919 0.3356 3020492 ChemDiv3_000459 O=C(/C=C\1/Nc2ccccc2NC1=O)c3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E20 compound treatment 0.071 0.059374 0.3095 -0.025 -0.04527 -0.2516 -0.395 -0.41738 -2.3604 -1.3293 -0.5553 3117677 ChemDiv3_000460 c1ccc2[nH]c(nc2c1)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E21 compound treatment -0.124 -0.13563 -0.7069 0.113 0.09273 0.5153 -0.088 -0.11038 -0.6242 -0.471 -0.4383 3020493 ChemDiv3_000461 O=C1N(C(=O)C(=Cc2ccccc2)C(=O)N1c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E22 compound treatment -0.044 -0.055626 -0.2899 0.151 0.13073 0.7265 0.069 0.04662 0.2636 0.4043 0.4898 1013141 ChemDiv3_000462 C[n+]1cccc(c1)C(=O)NO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E23 mock treatment 0.1 0.088374 0.4606 0.038 0.01773 0.0985 0.11 0.08762 0.4955 0.6089 0.8906 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 E24 mock treatment -0.015 -0.026626 -0.1388 0.035 0.01473 0.0819 0.0 -0.02238 -0.1266 -0.1059 -0.517 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F01 compound treatment 0.014 0.0023745 0.0124 -0.254 -0.27427 -1.5242 -0.06 -0.08238 -0.4659 -1.1418 -0.7164 1512742 ChemDiv3_000463 CN(C)CCNC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F02 compound treatment -0.02 -0.031626 -0.1648 -0.108 -0.12827 -0.7128 0.0 -0.02238 -0.1266 -0.5798 -0.7809 1734477 ChemDiv3_000464 O=c1n(Cc2ccccc2)c3ccccc3n1Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F03 compound treatment -0.147 -0.15863 -0.8268 -0.108 -0.12827 -0.7128 0.037 0.01462 0.0827 -0.8412 -0.7683 3117678 ChemDiv3_000465 CCN(CC)C(=S)Sc1ncnc2sc3CCCCc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F04 compound treatment 0.082 0.070374 0.3668 0.547 0.52673 2.9271 -0.106 -0.12838 -0.726 1.4826 0.488 3020494 ChemDiv3_000466 COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F05 compound treatment 0.146 0.13437 0.7004 -0.092 -0.11227 -0.6239 0.013 -0.0093798 -0.053 0.0135 0.0144 3020545 ChemDiv3_000467 C=CCN1C(=O)NC(=O)/C(=C/c2ccco2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F06 compound treatment 0.07 0.058374 0.3043 -0.044 -0.06427 -0.3572 0.102 0.07962 0.4503 0.2294 0.3528 1529101 ChemDiv3_000468 Clc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F07 compound treatment -0.072 -0.083626 -0.4359 0.013 -0.00727 -0.0404 -0.057 -0.07938 -0.4489 -0.5342 -0.8519 1408295 ChemDiv3_000469 Clc1ccc(OCC(=O)CC(=O)c2ccc(Cl)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F08 compound treatment 0.116 0.10437 0.544 -0.104 -0.12427 -0.6906 -0.04 -0.06238 -0.3528 -0.2883 -0.3043 1428920 ChemDiv3_000470 Cc1cc(C)c(OCC(O)CNC(C)(C)C)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F09 compound treatment -0.153 -0.16463 -0.8581 0.277 0.25673 1.4267 -0.18 -0.20238 -1.1445 -0.3325 -0.1646 1291361 ChemDiv3_000471 Nc1ccc(cc1)C(=O)OCc2nc3cc4ccccc4cc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F10 compound treatment -0.019 -0.030626 -0.1596 0.059 0.03873 0.2152 -0.287 -0.30938 -1.7496 -0.978 -0.5526 1234670 ChemDiv3_000472 CCOC(=O)c1oc2ccccc2c1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F11 compound treatment 0.045 0.033374 0.174 -0.173 -0.19327 -1.074 -0.258 -0.28038 -1.5856 -1.4351 -0.7463 1627155 ChemDiv3_000473 CN1C(=O)C(O)N(C1=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F12 compound treatment -0.025 -0.036626 -0.1909 0.115 0.09473 0.5264 -0.042 -0.06438 -0.3641 -0.0165 -0.0247 3020546 ChemDiv3_000474 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F13 compound treatment -0.041 -0.052626 -0.2743 0.072 0.05173 0.2875 1.237 1.2146 6.1701 3.5699 0.5774 3117679 ChemDiv3_000475 CCN1/C(=C\2/SC(=S)N(CC=C)C2=O)/Sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F14 compound treatment 0.021 0.0093745 0.0489 -0.11 -0.13027 -0.7239 -0.266 -0.28838 -1.6308 -1.3313 -0.7459 3117681 ChemDiv3_000476 Cc1ccc(cc1)C2(CC3CC4CC(C3)(C2)C(=O)NC5=NCCS5)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F15 compound treatment -0.157 -0.16863 -0.8789 -0.137 -0.15727 -0.874 0.018 -0.0043798 -0.0248 -1.0263 -0.8279 1673178 ChemDiv3_000477 COc1cc(cc(OC)c1OC)C2SC(C)C(=O)N2CCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F16 compound treatment -0.085 -0.096626 -0.5036 -0.119 -0.13927 -0.7739 -0.032 -0.05438 -0.3075 -0.9152 -0.9403 3117682 ChemDiv3_000478 COC(=O)/C=C/S(=O)(=O)c1ccc(NC(=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F17 compound treatment 0.044 0.032374 0.1687 -0.256 -0.27627 -1.5353 -0.018 -0.04038 -0.2284 -0.9208 -0.5898 1500308 ChemDiv3_000479 Cc1ccc2c(=O)cc(oc2c1)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F18 compound treatment 0.134 0.12237 0.6378 0.109 0.08873 0.4931 -0.055 -0.07738 -0.4376 0.4003 0.4364 3020547 ChemDiv3_000480 CC(=C1C(=NN(C1=O)c2ccccc2)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F19 compound treatment 0.032 0.020374 0.1062 -0.387 -0.40727 -2.2633 -0.007 -0.02938 -0.1661 -1.3413 -0.5904 1047176 ChemDiv3_000481 CCOC(=O)c1cc[nH]c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F20 compound treatment -0.088 -0.099626 -0.5193 -0.127 -0.14727 -0.8184 0.218 0.19562 1.1063 -0.1336 -0.0908 3117683 ChemDiv3_000482 O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C(=O)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F21 compound treatment -0.191 -0.20263 -1.0561 0.185 0.16473 0.9154 -0.105 -0.12738 -0.7204 -0.4971 -0.3162 3020548 ChemDiv3_000483 c1cc2cc(oc2s1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F22 compound treatment -0.054 -0.065626 -0.3421 0.026 0.00573 0.0318 -0.144 -0.16638 -0.9409 -0.7223 -0.7211 1488230 ChemDiv3_000484 COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F23 mock treatment 0.161 0.14937 0.7786 0.149 0.12873 0.7154 0.146 0.12362 0.6991 1.2662 0.9989 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 F24 mock treatment 0.044 0.032374 0.1687 0.123 0.10273 0.5709 0.034 0.01162 0.0657 0.465 0.7763 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G01 compound treatment 0.135 0.12337 0.6431 0.014 -0.00627 -0.0348 0.077 0.05462 0.3089 0.5295 0.7413 1360606 ChemDiv3_000485 CC(C)C(=O)Oc1cc(OC(=O)C(C)C)c2ccccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G02 compound treatment 0.1 0.088374 0.4606 -0.174 -0.19427 -1.0796 -0.133 -0.15538 -0.8787 -0.8647 -0.5897 1922577 ChemDiv3_000486 Cc1[nH]c(=S)[nH]c1C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G03 compound treatment -0.048 -0.059626 -0.3108 -0.032 -0.05227 -0.2905 -0.034 -0.05638 -0.3188 -0.5312 -0.9992 1463550 ChemDiv3_000487 Fc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G04 compound treatment -0.118 -0.12963 -0.6756 -0.142 -0.16227 -0.9018 -0.066 -0.08838 -0.4998 -1.1993 -0.9729 3020549 ChemDiv3_000488 COc1ccc(/C=C\2/SC(=S)N(C)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G05 compound treatment -0.129 -0.14063 -0.733 0.0 -0.02027 -0.1126 -0.032 -0.05438 -0.3075 -0.6658 -0.8293 3117684 ChemDiv3_000489 O=C/1/C(=C/c2ccccn2)/CC\C1=C/c3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G06 compound treatment 0.024 0.012374 0.0645 -0.103 -0.12327 -0.685 -0.113 -0.13538 -0.7656 -0.8003 -0.7775 1021484 ChemDiv3_000490 O=C1CSC(N1Cc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G07 compound treatment -0.087 -0.098626 -0.5141 0.083 0.06273 0.3486 0.065 0.04262 0.241 0.0436 0.0655 1308794 ChemDiv3_000491 Nc1ncc(s1)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G08 compound treatment -0.124 -0.13563 -0.7069 -0.128 -0.14827 -0.824 0.713 0.69062 3.9056 1.371 0.3382 1604550 ChemDiv3_000492 CCN1CCCC1CNC(=O)c2cc(NC(=O)C)c(cc2OC)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G09 compound treatment 0.025 0.013374 0.0697 -0.177 -0.19727 -1.0963 0.32 0.29762 1.6831 0.3791 0.1886 3020550 ChemDiv3_000493 Cn/1cccc\c1=N\c2cccc[n+]2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G10 compound treatment 0.03 0.018374 0.0958 -0.037 -0.05727 -0.3183 -0.113 -0.13538 -0.7656 -0.5705 -0.6835 3020551 ChemDiv3_000494 Cc1ccc(/C=N/c2cccc(Cl)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G11 compound treatment -0.056 -0.067626 -0.3525 -0.056 -0.07627 -0.4238 -0.235 -0.25738 -1.4555 -1.2886 -0.8279 1452502 ChemDiv3_000495 Cc1cc(Nc2ccc(Cl)cc2)n3c4ccccc4nc3c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G12 compound treatment -0.087 -0.098626 -0.5141 -0.394 -0.41427 -2.3022 -0.314 -0.33638 -1.9023 -2.7242 -0.899 1609352 ChemDiv3_000496 Nc1ccc2[nH]c(nc2c1)c3ccccc3c4nc5cc(N)ccc5[nH]4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G13 compound treatment 0.007 -0.0046255 -0.0241 0.043 0.02273 0.1263 0.042 0.01962 0.111 0.1231 0.7246 3117685 ChemDiv3_000497 Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G14 compound treatment 0.039 0.027374 0.1427 -0.154 -0.17427 -0.9684 -0.014 -0.03638 -0.2057 -0.5955 -0.5954 1253750 ChemDiv3_000498 COc1ccc(cc1)N(C2SC(=O)N(C2=O)c3ccccc3)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G15 compound treatment -0.082 -0.093626 -0.488 -0.086 -0.10627 -0.5906 0.047 0.02462 0.1392 -0.5423 -0.6965 3020552 ChemDiv3_000499 Cc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G16 compound treatment -0.052 -0.063626 -0.3316 0.02 -2.7002E-4 -0.0015 -0.083 -0.10538 -0.5959 -0.5364 -0.7865 3117686 ChemDiv3_000500 CCOc1ccc(cc1)[n+]2c(cn3CCCCCc32)c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G17 compound treatment 0.062 0.050374 0.2626 0.118 0.09773 0.5431 -0.099 -0.12138 -0.6864 0.0688 0.0753 1162912 ChemDiv3_000501 CCc1ccc(cc1)c2nc3ccccc3c(=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G18 compound treatment -0.311 -0.32263 -1.6816 -0.026 -0.04627 -0.2571 -0.185 -0.20738 -1.1728 -1.7964 -0.8694 1671355 ChemDiv3_000502 O=C(Oc1ccc2cc(OC(=O)c3ccccc3)ccc2c1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G19 compound treatment -0.012 -0.023626 -0.1231 0.062 0.04173 0.2319 -0.025 -0.04738 -0.2679 -0.0919 -0.245 1168078 ChemDiv3_000503 COC(=O)C1=C(C)NC(=O)NC1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G20 compound treatment -0.131 -0.14263 -0.7434 0.46 0.43973 2.4437 -0.35 -0.37238 -2.1059 -0.2342 -0.0707 1591511 ChemDiv3_000504 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G21 compound treatment -0.074 -0.085626 -0.4463 -0.1 -0.12027 -0.6684 0.094 0.07162 0.405 -0.4097 -0.4552 1660119 ChemDiv3_000505 CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)O)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G22 compound treatment 0.061 0.049374 0.2574 0.055 0.03473 0.193 0.045 0.02262 0.1279 0.3339 0.9644 1447109 ChemDiv3_000506 CC(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G23 mock treatment -0.102 -0.11363 -0.5922 -0.063 -0.08327 -0.4627 0.042 0.01962 0.111 -0.545 -0.7174 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 G24 mock treatment 0.119 0.10737 0.5597 0.056 0.03573 0.1986 0.148 0.12562 0.7104 0.8479 0.9158 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H01 compound treatment 0.044 0.032374 0.1687 -0.289 -0.30927 -1.7187 -0.23 -0.25238 -1.4273 -1.7189 -0.7672 1421806 ChemDiv3_000507 Nc1sc(c(Cc2ccccc2)c1C(=O)O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H02 compound treatment 0.062 0.050374 0.2626 -0.076 -0.09627 -0.535 -0.102 -0.12438 -0.7034 -0.5634 -0.6111 3020553 ChemDiv3_000508 Cc1ccc2n(CC=C)c(=O)n(CC=C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H03 compound treatment 0.108 0.096374 0.5023 -0.294 -0.31427 -1.7464 0.297 0.27462 1.553 0.1783 0.0746 3117687 ChemDiv3_000509 Clc1ccccc1/C=C/C=N/c2ccc(cc2)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H04 compound treatment -0.018 -0.029626 -0.1544 0.738 0.71773 3.9885 0.17 0.14762 0.8348 2.6956 0.661 1282292 ChemDiv3_000510 CC(C)CNP(=O)(OC1CC(C)CCC1C(C)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H05 compound treatment 0.088 0.076374 0.3981 -0.062 -0.08227 -0.4572 -0.128 -0.15038 -0.8504 -0.5251 -0.5028 3020554 ChemDiv3_000511 CN1C(=O)N(C)C(=O)C(=CNC2(CC3CC4CC(C3)C2)C4)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H06 compound treatment 0.028 0.016374 0.0853 -0.239 -0.25927 -1.4408 -0.211 -0.23338 -1.3198 -1.5446 -0.7897 1916294 ChemDiv3_000512 O=C(NC(Sc1ncccn1)C(=O)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H07 compound treatment -0.038 -0.049626 -0.2587 -0.187 -0.20727 -1.1518 -0.172 -0.19438 -1.0993 -1.449 -0.8983 1433778 ChemDiv3_000513 OC(=O)CSc1nc2ccccc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H08 compound treatment 0.038 0.026374 0.1375 -0.24 -0.26027 -1.4464 -0.018 -0.04038 -0.2284 -0.8875 -0.6035 1920143 ChemDiv3_000514 Sc1n[n+]2c(cc(nc2s1)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H09 compound treatment -0.01 -0.021626 -0.1127 -0.036 -0.05627 -0.3127 0.026 0.0036202 0.0205 -0.2338 -0.702 3020555 ChemDiv3_000515 Nc1cc(N)cc(c1)C(=O)OCN2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H10 compound treatment 0.025 0.013374 0.0697 -0.092 -0.11227 -0.6239 0.0 -0.02238 -0.1266 -0.393 -0.6137 3117688 ChemDiv3_000516 O=C(NCc1ccccc1)/C(=C\c2ccccc2)/NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H11 compound treatment -0.11 -0.12163 -0.6339 1.784 1.7637 7.146 1.052 1.0296 5.681 7.0397 0.7693 3117689 ChemDiv3_000517 CCN1/C(=C\2/N(C(=S)N(C)C2=O)c3ccccc3)/C=Cc4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H12 compound treatment -0.089 -0.10063 -0.5245 -0.169 -0.18927 -1.0518 -0.063 -0.08538 -0.4828 -1.1888 -0.9356 1591023 ChemDiv3_000518 CC(=O)Nc1ccc(NS(=O)(=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H13 compound treatment -0.032 -0.043626 -0.2274 1.207 1.1867 6.0009 -0.212 -0.23438 -1.3255 2.5681 0.4176 3020556 ChemDiv3_000519 CC/C(=C\c1sc2ccc(OC)cc2[n+]1CC)/SCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H14 compound treatment 0.045 0.033374 0.174 -0.119 -0.13927 -0.7739 0.145 0.12262 0.6934 0.054 0.0512 1680898 ChemDiv3_000520 S=C(NC1CCCCC1)C2(CC3CC4CC(C3)CC2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H15 compound treatment 0.013 0.0013745 0.0072 0.451 0.43073 2.3936 -0.154 -0.17638 -0.9975 0.8102 0.3124 1183680 ChemDiv3_000521 Clc1ccccc1NC(=O)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H16 compound treatment -0.064 -0.075626 -0.3942 0.0 -0.02027 -0.1126 -0.152 -0.17438 -0.9861 -0.862 -0.8071 1868581 ChemDiv3_000522 Nc1cc(=O)[nH]c(SCC=C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H17 compound treatment -0.064 -0.075626 -0.3942 -0.258 -0.27827 -1.5464 0.024 0.0016202 0.0092 -1.1151 -0.6987 1530765 ChemDiv3_000523 CC(C)(O)C1(CC2CC3C1)CC(C2)(C3)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H18 compound treatment -0.19 -0.20163 -1.0509 -0.085 -0.10527 -0.585 0.0 -0.02238 -0.1266 -1.0176 -0.8414 1142850 ChemDiv3_000524 CC1(C)CC(C)(O)P(=O)(O1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H19 compound treatment -0.123 -0.13463 -0.7017 -0.259 -0.27927 -1.5519 -0.25 -0.27238 -1.5404 -2.1905 -0.9539 1258965 ChemDiv3_000525 COC(OC)(C(=O)c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H20 compound treatment 0.042 0.030374 0.1583 0.02 -2.7002E-4 -0.0015 -0.69 -0.71238 -4.0286 -2.2354 -0.5544 1712075 ChemDiv3_000526 Nc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H21 compound treatment 0.037 0.025374 0.1323 0.042 0.02173 0.1208 0.122 0.09962 0.5634 0.4713 0.7973 3020557 ChemDiv3_000527 CC(C)(C)N/C=C\1/C=C(SC1=S)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H22 compound treatment -0.123 -0.13463 -0.7017 0.031 0.01073 0.0596 0.061 0.03862 0.2184 -0.2446 -0.3317 1374190 ChemDiv3_000528 COc1ccc(CC(CC(=O)O)C(=O)Nc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H23 mock treatment 0.085 0.073374 0.3824 0.05 0.02973 0.1652 0.227 0.20462 1.1572 0.9843 0.8003 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 H24 mock treatment 0.006 -0.0056255 -0.0293 0.062 0.04173 0.2319 0.045 0.02262 0.1279 0.1908 0.7161 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I01 compound treatment 0.021 0.0093745 0.0489 -0.095 -0.11527 -0.6406 0.007 -0.01538 -0.087 -0.3918 -0.6044 1677573 ChemDiv3_000529 CN1C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I02 compound treatment -0.065 -0.076626 -0.3994 -0.014 -0.03427 -0.1904 0.008 -0.01438 -0.0813 -0.3875 -0.8613 1561089 ChemDiv3_000530 C1C2CC3CC1CC(C2)(C3)c4coc(n4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I03 compound treatment 0.019 0.0073745 0.0384 0.065 0.04473 0.2486 0.051 0.02862 0.1619 0.2592 0.8664 1284188 ChemDiv3_000531 CN(C)c1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I04 compound treatment -0.018 -0.029626 -0.1544 -0.065 -0.08527 -0.4739 -0.142 -0.16438 -0.9296 -0.8994 -0.8527 3020558 ChemDiv3_000532 O=C/1N(CNc2ccccc2)C(=S)S\C1=C\c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I05 compound treatment -0.137 -0.14863 -0.7747 2.624 2.6037 8.2103 0.386 0.36362 2.0563 5.4802 0.6448 3117690 ChemDiv3_000533 O=C/1/C(=C/c2cc3ccccc3o2)/CC\C1=C/c4cc5ccccc5o4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I06 compound treatment -0.072 -0.083626 -0.4359 -0.07 -0.09027 -0.5016 -0.402 -0.42438 -2.3999 -1.9269 -0.7738 1740048 ChemDiv3_000534 Cc1ccc(cc1C)C2(CC3CC4CC(CN)(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I07 compound treatment 0.411 0.39937 2.0816 -0.092 -0.11227 -0.6239 -0.28 -0.30238 -1.71 -0.1457 -0.0527 3117691 ChemDiv3_000535 CC(C)C1CCC(C)/C(=C\c2ccc(N)cc2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I08 compound treatment -0.054 -0.065626 -0.3421 -0.294 -0.31427 -1.7464 0.007 -0.01538 -0.087 -1.256 -0.7049 3020559 ChemDiv3_000536 Cc1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I09 compound treatment -0.019 -0.030626 -0.1596 0.024 0.00373 0.0207 0.034 0.01162 0.0657 -0.0423 -0.243 3117692 ChemDiv3_000537 Cn1c(c2ccc3ccccc3n2)[n+](C)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I10 compound treatment 0.107 0.095374 0.4971 0.0 -0.02027 -0.1126 -0.37 -0.39238 -2.219 -1.0592 -0.4652 3020560 ChemDiv3_000538 Cc1ccc(/C=N/c2cccc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I11 compound treatment -0.166 -0.17763 -0.9258 -0.109 -0.12927 -0.7184 -0.071 -0.09338 -0.5281 -1.2542 -0.9758 3117694 ChemDiv3_000539 CC(C)c1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I12 compound treatment 0.008 -0.0036255 -0.0189 -0.085 -0.10527 -0.585 -0.052 -0.07438 -0.4206 -0.5915 -0.8207 1294664 ChemDiv3_000540 O=S(=O)(N1CCCc2ccccc12)c3ccc4ccccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I13 compound treatment -0.19 -0.20163 -1.0509 -0.05 -0.07027 -0.3905 -0.13 -0.15238 -0.8617 -1.3297 -0.9404 3020561 ChemDiv3_000541 CCOc1c(NC(=O)c2ccc(N)cc2)cc(NC(=O)c3ccc(N)cc3)cc1C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I14 compound treatment -0.026 -0.037626 -0.1961 0.062 0.04173 0.2319 0.206 0.18362 1.0384 0.6202 0.5732 1029333 ChemDiv3_000542 COc1ccc(cc1)S(=O)(=O)c2ccc(OC)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I15 compound treatment -0.167 -0.17863 -0.931 -0.012 -0.03227 -0.1793 0.033 0.01062 0.0601 -0.6064 -0.6383 3117695 ChemDiv3_000543 Cc1ccc(cc1)N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I16 compound treatment 0.044 0.032374 0.1687 -0.137 -0.15727 -0.874 -0.092 -0.11438 -0.6468 -0.7806 -0.7094 3020562 ChemDiv3_000544 COc1ccc(cc1)C(=O)C[n+]2cc(c3ccc(OC)cc3)n4CCCCCc42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I17 compound treatment -0.061 -0.072626 -0.3785 0.288 0.26773 1.4878 -0.139 -0.16138 -0.9126 0.1135 0.0636 1434553 ChemDiv3_000545 CCc1ccc(cc1)C(=O)Nc2ccc(Br)cn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I18 compound treatment 0.111 0.099374 0.518 -0.063 -0.08327 -0.4627 0.063 0.04062 0.2297 0.1645 0.2249 3117696 ChemDiv3_000546 OC1=C(C(N(C1=O)c2ccccc2)c3ccccc3)C(=O)/C=C/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I19 compound treatment 0.021 0.0093745 0.0489 -0.006 -0.02627 -0.146 0.027 0.0046202 0.0261 -0.041 -0.2625 1267294 ChemDiv3_000547 COc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I20 compound treatment -0.145 -0.15663 -0.8164 -0.043 -0.06327 -0.3516 -0.322 -0.34438 -1.9475 -1.7987 -0.8402 1626144 ChemDiv3_000548 CC(C)C1CCC(=C(Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I21 compound treatment 0.02 0.0083745 0.0436 -0.012 -0.03227 -0.1793 0.078 0.05562 0.3145 0.1033 0.2832 3020563 ChemDiv3_000549 Cc1sc(NC(=O)/C=C/C(=O)O)c(C#N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I22 compound treatment 0.054 0.042374 0.2209 0.18 0.15973 0.8876 0.006 -0.01638 -0.0926 0.5865 0.6379 1738105 ChemDiv3_000550 CNC(=O)C1OC(C)(OC1C(=O)NC)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I23 mock treatment 0.095 0.083374 0.4346 0.203 0.18273 1.0155 0.173 0.15062 0.8518 1.329 0.9528 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 I24 mock treatment -0.016 -0.027626 -0.144 -0.015 -0.03527 -0.196 0.074 0.05162 0.2919 -0.0278 -0.073 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J01 compound treatment 0.062 0.050374 0.2626 -0.058 -0.07827 -0.435 -0.205 -0.22738 -1.2859 -0.8419 -0.6089 3020564 ChemDiv3_000551 COc1ccccc1NC(=O)c2c(/N=C/c3c(O)ccc4ccccc34)cnn2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J02 compound treatment 0.065 0.053374 0.2782 -0.094 -0.11427 -0.635 -0.028 -0.05038 -0.2849 -0.3705 -0.4943 3117697 ChemDiv3_000552 FC(F)(F)c1nc2cc(Cl)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J03 compound treatment -0.114 -0.12563 -0.6548 0.012 -0.00827 -0.046 -0.042 -0.06438 -0.3641 -0.6148 -0.819 1921072 ChemDiv3_000553 Clc1cccc(/C=N/c2ccc(cc2)N3CCOCC3)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J04 compound treatment 0.203 0.19137 0.9975 -0.025 -0.04527 -0.2516 -0.123 -0.14538 -0.8221 -0.044 -0.0334 1215794 ChemDiv3_000554 Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J05 compound treatment 0.032 0.020374 0.1062 -0.271 -0.29127 -1.6186 0.096 0.07362 0.4163 -0.6328 -0.3779 3020627 ChemDiv3_000555 CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J06 compound treatment 0.56 0.54837 2.8583 -0.102 -0.12227 -0.6795 0.138 0.11562 0.6539 1.6354 0.5434 1612444 ChemDiv3_000556 O=C(NCn1ccc(=O)[nH]c1=S)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J07 compound treatment 0.285 0.27337 1.4249 0.102 0.08173 0.4542 0.252 0.22962 1.2985 1.8346 0.9263 1318279 ChemDiv3_000557 S=C(N1CCOCC1)c2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J08 compound treatment -0.017 -0.028626 -0.1492 0.218 0.19773 1.0988 -0.185 -0.20738 -1.1728 -0.1288 -0.0798 1916211 ChemDiv3_000558 CC(=O)N[N+]1=C(N)c2ccccc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J09 compound treatment -0.079 -0.090626 -0.4724 -0.07 -0.09027 -0.5016 1.033 1.0106 5.6262 2.6859 0.4739 3020628 ChemDiv3_000559 Cc1c(/C=C/2\SC(=NC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J10 compound treatment -0.098 -0.10963 -0.5714 -0.035 -0.05527 -0.3071 -0.041 -0.06338 -0.3584 -0.7142 -0.9636 1181384 ChemDiv3_000560 CCN(CC)Cn1c(=S)oc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J11 compound treatment -0.045 -0.056626 -0.2951 -0.042 -0.06227 -0.346 0.387 0.36462 2.062 0.8203 0.3885 1918939 ChemDiv3_000561 CCn1c(C)nc2cc(ccc12)S(=O)(=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J12 compound treatment -0.449 -0.46063 -2.4009 0.166 0.14573 0.8098 0.068 0.04562 0.258 -0.7696 -0.3022 1013703 ChemDiv3_000562 OC(=O)CNc1ccc(cc1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J13 compound treatment -0.007 -0.018626 -0.0971 0.731 0.71073 3.9496 -0.027 -0.04938 -0.2793 2.0631 0.5209 3117698 ChemDiv3_000563 COc1ccc2cc(C(=O)NC(=O)C)/c(=N/c3ccccc3)/oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J14 compound treatment -0.05 -0.061626 -0.3212 -0.058 -0.07827 -0.435 -0.269 -0.29138 -1.6478 -1.3879 -0.8003 1005380 ChemDiv3_000564 O=C(Oc1cccc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J15 compound treatment 0.318 0.30637 1.5969 0.063 0.04273 0.2375 -0.151 -0.17338 -0.9805 0.493 0.261 1320959 ChemDiv3_000565 Cc1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J16 compound treatment -0.025 -0.036626 -0.1909 -0.104 -0.12427 -0.6906 -0.319 -0.34138 -1.9306 -1.6235 -0.7884 3117699 ChemDiv3_000566 Cc1cccc(/C=N/c2ccc(cc2)c3nc4cc(C)c(C)cc4o3)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J17 compound treatment 0.088 0.076374 0.3981 -0.229 -0.24927 -1.3852 0.086 0.06362 0.3598 -0.3622 -0.2438 1212050 ChemDiv3_000567 OC1(C2CC3CC(C2)CC1C3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J18 compound treatment -0.029 -0.040626 -0.2117 0.055 0.03473 0.193 -0.483 -0.50538 -2.858 -1.6609 -0.5782 1521008 ChemDiv3_000568 CCN(CC)P1(=O)OC(C)(C)CC1(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J19 compound treatment -0.026 -0.037626 -0.1961 0.447 0.42673 2.3714 1.02 0.99762 5.5881 4.4822 0.738 1778430 ChemDiv3_000569 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J20 compound treatment -0.025 -0.036626 -0.1909 -0.16 -0.18027 -1.0018 -0.114 -0.13638 -0.7713 -1.1339 -0.8868 1147350 ChemDiv3_000570 Clc1cccc(NCN2C(=O)CCC2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J21 compound treatment -0.006 -0.017626 -0.0919 -0.011 -0.03127 -0.1738 -0.304 -0.32638 -1.8457 -1.219 -0.6567 3020629 ChemDiv3_000571 CN(C)/C=C\1/C=C(SC1=S)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J22 compound treatment -0.074 -0.085626 -0.4463 -0.148 -0.16827 -0.9351 -0.162 -0.18438 -1.0427 -1.3996 -0.9521 3117701 ChemDiv3_000572 CC(CC(=O)Nc1ccccc1I)Cc2cc(C)cc(C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J23 mock treatment -0.076 -0.087626 -0.4567 0.047 0.02673 0.1485 0.098 0.07562 0.4276 0.069 0.1073 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 J24 mock treatment -0.031 -0.042626 -0.2222 0.037 0.01673 0.093 -0.054 -0.07638 -0.4319 -0.324 -0.6551 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K01 compound treatment 0.012 3.7448E-4 0.002 0.056 0.03573 0.1986 -0.028 -0.05038 -0.2849 -0.0487 -0.1403 3020630 ChemDiv3_000573 Brc1ccc(/C=N/c2nnc(NC(=O)/C=C/c3ccccc3)s2)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K02 compound treatment 0.781 0.76937 4.0102 -0.162 -0.18227 -1.0129 -0.144 -0.16638 -0.9409 1.1872 0.2799 1679209 ChemDiv3_000574 O=C(CSC#N)C1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K03 compound treatment -0.159 -0.17063 -0.8893 -0.062 -0.08227 -0.4572 0.119 0.09662 0.5464 -0.462 -0.4054 1307245 ChemDiv3_000575 CCN(CC)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K04 compound treatment 0.059 0.047374 0.2469 0.02 -2.7002E-4 -0.0015 0.053 0.03062 0.1732 0.2417 0.8013 3020631 ChemDiv3_000576 FC(F)(F)C(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K05 compound treatment 0.044 0.032374 0.1687 -0.084 -0.10427 -0.5794 0.013 -0.0093798 -0.053 -0.2677 -0.4419 3117702 ChemDiv3_000577 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2/N=C/c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K06 compound treatment -0.068 -0.079626 -0.415 -0.083 -0.10327 -0.5739 -0.031 -0.05338 -0.3019 -0.7452 -0.968 3020632 ChemDiv3_000578 CC(=C)C(=O)Nc1ccc2C(=O)NC(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K07 compound treatment 0.034 0.022374 0.1166 -0.037 -0.05727 -0.3183 -0.204 -0.22638 -1.2802 -0.8556 -0.646 3117703 ChemDiv3_000579 CC(C)C1CCC(C)/C(=C\c2ccc(cc2)N(C)C)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K08 compound treatment 0.016 0.0043745 0.0228 -0.363 -0.38327 -2.1299 -0.41 -0.43238 -2.4452 -2.6283 -0.8105 3020633 ChemDiv3_000580 COc1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K09 compound treatment -0.23 -0.24163 -1.2594 -0.081 -0.10127 -0.5628 0.006 -0.01638 -0.0926 -1.1055 -0.7996 3020634 ChemDiv3_000581 C[n+]1cc(cc2ccccc12)c3ccc4ccccc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K10 compound treatment 0.055 0.043374 0.2261 0.042 0.02173 0.1208 0.092 0.06962 0.3937 0.4276 0.9101 3117704 ChemDiv3_000582 CC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K11 compound treatment -0.105 -0.11663 -0.6079 -0.053 -0.07327 -0.4072 -0.181 -0.20338 -1.1502 -1.2501 -0.9171 1317973 ChemDiv3_000583 CC(=O)NS(=O)(=O)c1ccc(Br)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K12 compound treatment -0.124 -0.13563 -0.7069 -0.211 -0.23127 -1.2852 -0.04 -0.06238 -0.3528 -1.3538 -0.8974 1685696 ChemDiv3_000584 COCc1cc(C)nc(N2CCOCC2)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K13 compound treatment -0.037 -0.048626 -0.2534 -0.034 -0.05427 -0.3016 0.026 0.0036202 0.0205 -0.3086 -0.7824 1680270 ChemDiv3_000585 CCCCN1CCN(CC1)c2nc(c3ccccc3)c4cc(C)ccc4n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K14 compound treatment -0.12 -0.13163 -0.6861 -0.079 -0.09927 -0.5517 0.015 -0.0073798 -0.0417 -0.7387 -0.8382 3020635 ChemDiv3_000586 COC(=O)Oc1cc2oc(=O)sc2cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K15 compound treatment 0.057 0.045374 0.2365 -0.068 -0.08827 -0.4905 -0.195 -0.21738 -1.2293 -0.8564 -0.637 3117705 ChemDiv3_000587 COc1ccc(cc1)C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K16 compound treatment 0.42 0.40837 2.1285 -0.013 -0.03327 -0.1849 0.275 0.25262 1.4286 1.947 0.7575 1915086 ChemDiv3_000588 OCCNC(=S)Nc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K17 compound treatment -0.085 -0.096626 -0.5036 -0.253 -0.27327 -1.5186 -0.02 -0.04238 -0.2397 -1.3059 -0.8072 3020636 ChemDiv3_000589 CCc1ccc(cc1)C(=O)Nc2nccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K18 compound treatment -0.135 -0.14663 -0.7642 -0.02 -0.04027 -0.2238 0.131 0.10862 0.6143 -0.2158 -0.2146 1362496 ChemDiv3_000590 O=C(Nn1cnc2ccccc2c1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K19 compound treatment 0.115 0.10337 0.5388 -0.153 -0.17327 -0.9629 -0.025 -0.04738 -0.2679 -0.3995 -0.3519 3117706 ChemDiv3_000591 NC(=O)C[n+]1cccc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K20 compound treatment -0.114 -0.12563 -0.6548 -0.181 -0.20127 -1.1185 -0.792 -0.81438 -4.6055 -3.6828 -0.7698 3117707 ChemDiv3_000592 C/C(=N\N)/c1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K21 compound treatment 0.116 0.10437 0.544 -0.024 -0.04427 -0.246 -0.103 -0.12538 -0.709 -0.2373 -0.256 1318329 ChemDiv3_000593 OCC1(CC2CC3C1)CC(CO)(C2)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K22 compound treatment -0.013 -0.024626 -0.1284 0.046 0.02573 0.143 -0.045 -0.06738 -0.381 -0.2115 -0.4957 1110839 ChemDiv3_000594 OC(=O)c1ccccc1C(=O)OCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K23 mock treatment -0.063 -0.074626 -0.389 0.11 0.08973 0.4986 0.191 0.16862 0.9536 0.6139 0.5365 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 K24 mock treatment -0.132 -0.14363 -0.7486 -0.029 -0.04927 -0.2738 0.057 0.03462 0.1958 -0.4773 -0.5814 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L01 compound treatment -0.045 -0.056626 -0.2951 -0.441 -0.46127 -2.5634 -0.083 -0.10538 -0.5959 -1.9944 -0.7531 1272387 ChemDiv3_000595 CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L02 compound treatment 0.161 0.14937 0.7786 -0.224 -0.24427 -1.3574 -0.182 -0.20438 -1.1558 -1.0015 -0.5148 3020637 ChemDiv3_000596 C(Sc1nnc(o1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L03 compound treatment 0.006 -0.0056255 -0.0293 0.052 0.03173 0.1763 0.407 0.38462 2.1751 1.3407 0.6143 3117708 ChemDiv3_000597 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4cccc(OC)c4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L04 compound treatment 0.326 0.31437 1.6386 -0.183 -0.20327 -1.1296 -0.294 -0.31638 -1.7892 -0.7391 -0.2762 3020638 ChemDiv3_000598 Cc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L05 compound treatment -0.148 -0.15963 -0.832 -0.233 -0.25327 -1.4075 -0.084 -0.10638 -0.6016 -1.6403 -0.9415 3117709 ChemDiv3_000599 CC(=O)NC(=O)c/1cc2ccccc2o\c1=N/c3ccc(cc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L06 compound treatment 0.098 0.086374 0.4502 -0.026 -0.04627 -0.2571 0.063 0.04062 0.2297 0.2441 0.4305 3020639 ChemDiv3_000600 S=c1cc[nH]c(=S)n1c2nc(sc2c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L07 compound treatment -0.044 -0.055626 -0.2899 -0.147 -0.16727 -0.9295 0.228 0.20562 1.1628 -0.0327 -0.0216 3117710 ChemDiv3_000601 CC(=O)N1CCc2cc(/N=C/c3ccc(Cl)cc3)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L08 compound treatment -0.145 -0.15663 -0.8164 -0.542 -0.56227 -3.1246 -0.326 -0.34838 -1.9702 -3.4128 -0.9021 3020640 ChemDiv3_000602 Cc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L09 compound treatment 0.037 0.025374 0.1323 -0.006 -0.02627 -0.146 0.037 0.01462 0.0827 0.0398 0.1863 3117711 ChemDiv3_000603 Cc1n[nH]c(C)c1Sc2ccccc2/N=C/c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L10 compound treatment 0.075 0.063374 0.3303 -0.025 -0.04527 -0.2516 -0.006 -0.02838 -0.1605 -0.0472 -0.106 1663127 ChemDiv3_000604 CC(C)OC(=O)C1=C(C)NC(=S)NC1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L11 compound treatment 0.5 0.48837 2.5455 -0.536 -0.55627 -3.0913 -0.448 -0.47038 -2.6601 -1.8509 -0.385 1238798 ChemDiv3_000605 CC[N+]1=C(C)C(C)(C)c2cc(ccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L12 compound treatment 0.085 0.073374 0.3824 -0.268 -0.28827 -1.602 -0.174 -0.19638 -1.1106 -1.3453 -0.6772 3117713 ChemDiv3_000606 Brc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L13 compound treatment 0.053 0.041374 0.2157 0.006 -0.01427 -0.0793 0.043 0.02062 0.1166 0.146 0.5668 1507618 ChemDiv3_000607 COc1ccc2oc(=N)c(cc2c1)c3nc4ccccc4[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L14 compound treatment 0.164 0.15237 0.7942 -0.073 -0.09327 -0.5183 0.043 0.02062 0.1166 0.2266 0.2372 3020641 ChemDiv3_000608 CNc1ncnc(S)c1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L15 compound treatment -0.091 -0.10263 -0.5349 0.388 0.36773 2.0435 0.142 0.11962 0.6765 1.2616 0.5688 1703537 ChemDiv3_000609 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L16 compound treatment -0.126 -0.13763 -0.7173 -0.225 -0.24527 -1.363 -0.729 -0.75138 -4.2492 -3.6544 -0.8085 3117714 ChemDiv3_000610 Oc1ccc(Cl)cc1/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L17 compound treatment -0.152 -0.16363 -0.8529 -0.176 -0.19627 -1.0907 -0.018 -0.04038 -0.2284 -1.254 -0.8936 1529335 ChemDiv3_000611 OC(=O)C=C1C2CC3CC(C2)CC1C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L18 compound treatment 2.262 2.2504 7.3554 0.148 0.12773 0.7098 -0.154 -0.17638 -0.9975 4.0806 0.5472 3117715 ChemDiv3_000612 Clc1ccccc1/C=C\2/SC(=O)N(C2=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L19 compound treatment -0.031 -0.042626 -0.2222 0.352 0.33173 1.8435 -0.15 -0.17238 -0.9748 0.3732 0.178 3117716 ChemDiv3_000613 CCOc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NC)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L20 compound treatment -0.058 -0.069626 -0.3629 -0.261 -0.28127 -1.5631 -0.236 -0.25838 -1.4612 -1.9556 -0.9011 3020642 ChemDiv3_000614 COc1cccc2ccc(Cl)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L21 compound treatment 0.093 0.081374 0.4241 -0.049 -0.06927 -0.3849 0.018 -0.0043798 -0.0248 0.0083 0.0145 3020643 ChemDiv3_000615 CN/C=C\1/C=C(SC1=S)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L22 compound treatment -0.111 -0.12263 -0.6392 0.0 -0.02027 -0.1126 0.051 0.02862 0.1619 -0.3406 -0.5092 3117717 ChemDiv3_000616 N#CCC(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L23 mock treatment -0.325 -0.33663 -1.7546 0.026 0.00573 0.0318 -0.025 -0.04738 -0.2679 -1.1493 -0.6474 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 L24 mock treatment -0.018 -0.029626 -0.1544 0.019 -0.00127 -0.0071 0.115 0.09262 0.5238 0.2092 0.383 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M01 compound treatment -0.088 -0.099626 -0.5193 -0.142 -0.16227 -0.9018 -0.201 -0.22338 -1.2633 -1.5498 -0.9469 1490670 ChemDiv3_000617 O=C(Oc1ccccc1)Oc2ccc3oc(=O)sc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M02 compound treatment -0.112 -0.12363 -0.6444 -0.096 -0.11627 -0.6461 -0.165 -0.18738 -1.0597 -1.3569 -0.9703 3117718 ChemDiv3_000618 Cc1ccc(Oc2ccc(C)c(C)c2)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M03 compound treatment 0.132 0.12037 0.6274 0.019 -0.00127 -0.0071 -0.145 -0.16738 -0.9466 -0.1883 -0.1658 1380597 ChemDiv3_000619 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M04 compound treatment -0.094 -0.10563 -0.5505 -0.203 -0.22327 -1.2407 0.0 -0.02238 -0.1266 -1.1073 -0.8122 3020644 ChemDiv3_000620 FC(F)(F)C(=O)N(CN1C(=O)CCC1=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M05 compound treatment 0.153 0.14137 0.7369 -0.183 -0.20327 -1.1296 0.189 0.16662 0.9423 0.3173 0.1928 1629777 ChemDiv3_000621 Nc1ccc(Br)cc1C(O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M06 compound treatment 0.052 0.040374 0.2104 0.085 0.06473 0.3597 -0.053 -0.07538 -0.4263 0.0831 0.1393 3117719 ChemDiv3_000622 CNc1cc(NC)c2ncnc3-c4ccccc4C(=O)c1c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M07 compound treatment -0.021 -0.032626 -0.1701 0.0 -0.02027 -0.1126 0.021 -0.0013798 -0.0078 -0.1677 -0.8216 3020645 ChemDiv3_000623 CC(C)C1CCC(C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M08 compound treatment -0.036 -0.047626 -0.2482 -0.366 -0.38627 -2.1466 0.043 0.02062 0.1166 -1.3153 -0.6078 1472960 ChemDiv3_000624 COc1ccc2CN(C(=O)c2c1OC)c3nnc[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M09 compound treatment -0.151 -0.16263 -0.8476 -0.006 -0.02627 -0.146 -0.121 -0.14338 -0.8108 -1.0418 -0.8814 3020646 ChemDiv3_000625 CC(=O)n1c2ccccc2c3cc(Br)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M10 compound treatment 0.108 0.096374 0.5023 -0.038 -0.05827 -0.3238 -0.184 -0.20638 -1.1671 -0.5708 -0.4353 3117720 ChemDiv3_000626 COc1ccc(/C=N/c2cccc(Cl)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M11 compound treatment 0.052 0.040374 0.2104 -0.259 -0.27927 -1.5519 -0.384 -0.40638 -2.2982 -2.1014 -0.7556 1922766 ChemDiv3_000627 Oc1ccccc1/C=N/c2ccc(cc2)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M12 compound treatment 0.037 0.025374 0.1323 1.973 1.9527 7.4324 3.321 3.2986 8.957 9.5388 0.8195 3020648 ChemDiv3_000628 CCN1C(=C(C#N)C#N)C=Cc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M13 compound treatment 0.047 0.035374 0.1844 0.021 7.2998E-4 0.0041 -0.209 -0.23138 -1.3085 -0.6467 -0.4894 1708776 ChemDiv3_000629 C1CC[N+]2(C1)CCN(CC2)c3ncccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M14 compound treatment 0.007 -0.0046255 -0.0241 0.026 0.00573 0.0318 -0.085 -0.10738 -0.6073 -0.3461 -0.5688 1728722 ChemDiv3_000630 COc1ccc(cc1)N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M15 compound treatment 0.076 0.064374 0.3355 0.118 0.09773 0.5431 -0.021 -0.04338 -0.2453 0.3656 0.5346 3020649 ChemDiv3_000631 COc1cccc(/N=C\c2c[nH]c3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M16 compound treatment 0.018 0.0063745 0.0332 -0.178 -0.19827 -1.1018 -0.077 -0.09938 -0.562 -0.9414 -0.7609 3117721 ChemDiv3_000632 Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)/C=C/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M17 compound treatment 0.065 0.053374 0.2782 0.107 0.08673 0.482 -0.182 -0.20438 -1.1558 -0.2284 -0.1781 1294702 ChemDiv3_000633 C1CCCN(CC1)c2nc(nc(n2)N3CCCCCC3)N4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M18 compound treatment 0.153 0.14137 0.7369 0.0 -0.02027 -0.1126 -0.069 -0.09138 -0.5168 0.062 0.0684 3117722 ChemDiv3_000634 Brc1ccc(NC(=O)Nc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M19 compound treatment -0.068 -0.079626 -0.415 -0.019 -0.03927 -0.2182 -0.078 -0.10038 -0.5677 -0.6934 -0.9417 1311944 ChemDiv3_000635 c1c(nc2ccccn12)c3ccc(cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M20 compound treatment -0.013 -0.024626 -0.1284 -0.06 -0.08027 -0.4461 0.059 0.03662 0.2071 -0.2121 -0.4173 1216291 ChemDiv3_000636 OCCNC(=S)NC1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M21 compound treatment 0.027 0.015374 0.0801 0.006 -0.01427 -0.0793 -0.285 -0.30738 -1.7383 -1.0031 -0.5759 1664260 ChemDiv3_000637 OC(=O)c1cc(ccc1O)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M22 compound treatment 0.059 0.047374 0.2469 0.02 -2.7002E-4 -0.0015 -0.057 -0.07938 -0.4489 -0.1175 -0.2293 3020650 ChemDiv3_000638 Fc1ccccc1C(=O)Nc2cc(ccc2Br)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M23 mock treatment -0.062 -0.073626 -0.3838 0.095 0.07473 0.4153 0.033 0.01062 0.0601 0.0529 0.093 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 M24 mock treatment 0.049 0.037374 0.1948 -0.066 -0.08627 -0.4794 -0.007 -0.02938 -0.1661 -0.2602 -0.4788 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N01 compound treatment 0.121 0.10937 0.5701 -0.149 -0.16927 -0.9407 0.0 -0.02238 -0.1266 -0.287 -0.2592 3020651 ChemDiv3_000639 Cn1nccc1C(=O)Nc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N02 compound treatment -0.073 -0.084626 -0.4411 -0.029 -0.04927 -0.2738 -0.118 -0.14038 -0.7939 -0.8711 -0.9183 3117723 ChemDiv3_000640 COC(=O)CSc1nnc(o1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N03 compound treatment -0.047 -0.058626 -0.3056 -0.123 -0.14327 -0.7962 0.0 -0.02238 -0.1266 -0.7092 -0.8226 3117724 ChemDiv3_000641 COc1cc(Br)cc(/C=N/c2cccc(c2)c3nc4ccccc4o3)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N04 compound treatment -0.076 -0.087626 -0.4567 -0.549 -0.56927 -3.1635 0.075 0.05262 0.2976 -1.9183 -0.5976 1628862 ChemDiv3_000642 CCOC(=O)c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N05 compound treatment 0.038 0.026374 0.1375 -0.278 -0.29827 -1.6575 -0.13 -0.15238 -0.8617 -1.3751 -0.7341 1290427 ChemDiv3_000643 CC(=O)Oc1ccccc1N(C(=O)C)S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N06 compound treatment -0.125 -0.13663 -0.7121 -0.018 -0.03827 -0.2127 0.0 -0.02238 -0.1266 -0.607 -0.8051 1570356 ChemDiv3_000644 CC(C)(C)C(=O)Nc1c(Cl)sc2nccc(=O)n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N07 compound treatment -0.101 -0.11263 -0.587 0.846 0.82573 4.5887 0.596 0.57362 3.2439 4.1833 0.7404 3020698 ChemDiv3_000645 CC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N08 compound treatment 0.025 0.013374 0.0697 -0.15 -0.17027 -0.9462 0.228 0.20562 1.1628 0.1653 0.1101 3020699 ChemDiv3_000646 CN(C)/C=C/c1cc(=S)c2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N09 compound treatment 0.045 0.033374 0.174 0.012 -0.00827 -0.046 -0.012 -0.03438 -0.1944 -0.0384 -0.1448 1598396 ChemDiv3_000647 CSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N10 compound treatment 0.071 0.059374 0.3095 -0.082 -0.10227 -0.5683 0.056 0.03362 0.1901 -0.0397 -0.0588 3020700 ChemDiv3_000648 Oc1ccc(/C=C/2\SC(=S)N(CCc3ccccc3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N11 compound treatment -0.212 -0.22363 -1.1656 -0.06 -0.08027 -0.4461 0.351 0.32862 1.8584 0.1425 0.0636 3020701 ChemDiv3_000649 CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)/Oc4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N12 compound treatment 0.0 -0.011626 -0.0606 0.017 -0.00327 -0.0182 -0.038 -0.06038 -0.3415 -0.2426 -0.6986 3117725 ChemDiv3_000650 Clc1ccc(/C=N/C(=O)CC#N)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N13 compound treatment -0.056 -0.067626 -0.3525 -0.085 -0.10527 -0.585 -0.312 -0.33438 -1.891 -1.633 -0.8122 1340722 ChemDiv3_000651 N=c1oc2ccc3ccccc3c2cc1C(=O)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N14 compound treatment -0.134 -0.14563 -0.759 -0.092 -0.11227 -0.6239 -0.076 -0.09838 -0.5564 -1.1197 -0.9916 3117726 ChemDiv3_000652 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1OC(=O)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N15 compound treatment -0.079 -0.090626 -0.4724 -0.169 -0.18927 -1.0518 -0.019 -0.04138 -0.234 -1.0151 -0.8628 3020702 ChemDiv3_000653 CC1=N/C(=C/c2cccnc2)/C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N16 compound treatment 0.013 0.0013745 0.0072 0.075 0.05473 0.3041 3.201 3.1786 8.865 5.2979 0.5973 3117727 ChemDiv3_000654 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)/Sc4cc(NC(=O)C)ccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N17 compound treatment 0.069 0.057374 0.299 -0.23 -0.25027 -1.3908 -0.12 -0.14238 -0.8052 -1.0952 -0.67 1208186 ChemDiv3_000655 OC(=O)c1cc(nc2ccc(Br)cc12)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N18 compound treatment 0.083 0.071374 0.372 0.024 0.00373 0.0207 -0.207 -0.22938 -1.2972 -0.5222 -0.3869 3020703 ChemDiv3_000656 CCN1C(=O)/C(=C\C(=C\c2ccccc2)\C)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N19 compound treatment 0.019 0.0073745 0.0384 0.239 0.21873 1.2155 0.014 -0.0083798 -0.0474 0.6966 0.5724 3020704 ChemDiv3_000657 CN1C(=O)/C(=C\Nc2ccccc2)/C=C1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N20 compound treatment -0.425 -0.43663 -2.2758 0.145 0.12473 0.6931 -0.08 -0.10238 -0.579 -1.248 -0.5097 3117728 ChemDiv3_000658 Cc1cccc(c1)N2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N21 compound treatment 0.093 0.081374 0.4241 -0.052 -0.07227 -0.4016 -0.106 -0.12838 -0.726 -0.4062 -0.4359 1544837 ChemDiv3_000659 Cc1cc(=O)nc(SCc2nc3ccccc3[nH]2)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N22 compound treatment -0.04 -0.051626 -0.2691 0.013 -0.00727 -0.0404 -0.123 -0.14538 -0.8221 -0.6533 -0.7544 1021435 ChemDiv3_000660 Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N23 mock treatment 0.029 0.017374 0.0906 0.062 0.04173 0.2319 0.02 -0.0023798 -0.0135 0.1784 0.7156 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 N24 mock treatment -0.019 -0.030626 -0.1596 0.077 0.05673 0.3153 0.065 0.04262 0.241 0.229 0.5354 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O01 compound treatment 0.213 0.20137 1.0496 -0.147 -0.16727 -0.9295 -0.089 -0.11138 -0.6299 -0.2943 -0.1915 1913320 ChemDiv3_000661 O=C(Oc1ccccc1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O02 compound treatment -0.083 -0.094626 -0.4932 -0.179 -0.19927 -1.1074 0.007 -0.01538 -0.087 -0.9743 -0.8017 3020705 ChemDiv3_000662 Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O03 compound treatment 0.089 0.077374 0.4033 -0.087 -0.10727 -0.5961 -0.202 -0.22438 -1.2689 -0.8439 -0.5785 3117729 ChemDiv3_000663 CCOc1ccc(N/C=N/c2ccc(OCC)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O04 compound treatment -0.04 -0.051626 -0.2691 0.215 0.19473 1.0821 -0.25 -0.27238 -1.5404 -0.4199 -0.2208 1253491 ChemDiv3_000664 N#CCCN(Cn1c2ccccc2c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O05 compound treatment 0.924 0.91237 4.7555 -0.127 -0.14727 -0.8184 0.178 0.15562 0.8801 2.7812 0.567 1678987 ChemDiv3_000665 Cc1ccc2nc(cc(C(=O)NCc3ccccc3)c2c1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O06 compound treatment -0.042 -0.053626 -0.2795 0.149 0.12873 0.7154 -0.1 -0.12238 -0.6921 -0.1479 -0.1431 1464157 ChemDiv3_000666 Cc1cc(C)c(cc1C(=O)c2ccccc2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O07 compound treatment 0.13 0.11837 0.617 0.152 0.13173 0.732 -0.316 -0.33838 -1.9136 -0.3259 -0.1523 1645442 ChemDiv3_000667 CCOC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O08 compound treatment -0.086 -0.097626 -0.5088 -0.821 -0.84127 -4.6751 -0.613 -0.63538 -3.5932 -5.0675 -0.8562 1026640 ChemDiv3_000668 Nc1ccccc1CC(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O09 compound treatment -0.025 -0.036626 -0.1909 -0.082 -0.10227 -0.5683 -0.088 -0.11038 -0.6242 -0.7987 -0.9229 1267081 ChemDiv3_000669 CCN(CC)S(=O)(=O)c1cc(ccc1C)C(=O)Nc2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O10 compound treatment -0.02 -0.031626 -0.1648 0.017 -0.00327 -0.0182 0.075 0.05262 0.2976 0.0661 0.1942 3117730 ChemDiv3_000670 CCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O11 compound treatment 0.087 0.075374 0.3929 -0.096 -0.11627 -0.6461 -0.143 -0.16538 -0.9353 -0.6862 -0.5705 3020706 ChemDiv3_000671 CC(C)(C)c1cc(c2OCN(CC(=O)O)Cc2c1)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O12 compound treatment 0.09 0.078374 0.4085 -0.27 -0.29027 -1.6131 -0.129 -0.15138 -0.8561 -1.1897 -0.6358 3117731 ChemDiv3_000672 CCN(CC)c1ccc2cc(C(=O)N)/c(=N/c3ccc(F)cc3)/oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O13 compound treatment -0.06 -0.071626 -0.3733 -0.079 -0.09927 -0.5517 -0.205 -0.22738 -1.2859 -1.2764 -0.8814 3020707 ChemDiv3_000673 Clc1ccc2nc(Cl)cc(c3ccccc3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O14 compound treatment -0.074 -0.085626 -0.4463 -0.035 -0.05527 -0.3071 -0.055 -0.07738 -0.4376 -0.6876 -0.9874 3117732 ChemDiv3_000674 Cc1cccc(C)c1OC(=O)Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O15 compound treatment -0.043 -0.054626 -0.2847 -0.129 -0.14927 -0.8295 -0.214 -0.23638 -1.3368 -1.4151 -0.8851 3020708 ChemDiv3_000675 C(=N/c1cccc2ccccc12)/c3c[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O16 compound treatment 0.131 0.11937 0.6222 -0.153 -0.17327 -0.9629 -0.037 -0.05938 -0.3358 -0.3906 -0.3269 1675948 ChemDiv3_000676 OC(=O)C(NC(=O)c1ccc(F)cc1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O17 compound treatment -0.376 -0.38763 -2.0204 -0.09 -0.11027 -0.6128 0.032 0.0096202 0.0544 -1.4889 -0.705 1019063 ChemDiv3_000677 CC(C)(C)c1ccc(O)c(N)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O18 compound treatment 0.645 0.63337 3.3013 -0.055 -0.07527 -0.4183 -0.141 -0.16338 -0.9239 1.1311 0.3275 1676074 ChemDiv3_000678 OC(=O)C1CCC(CC1)c2ccc(cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O19 compound treatment 0.077 0.065374 0.3407 -0.154 -0.17427 -0.9684 0.082 0.05962 0.3372 -0.1677 -0.1552 3020709 ChemDiv3_000679 CC(C(=O)c1ccccc1)[n+]2cccc(Br)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O20 compound treatment -0.124 -0.13563 -0.7069 -0.564 -0.58427 -3.2469 -0.181 -0.20338 -1.1502 -2.9468 -0.838 1276194 ChemDiv3_000680 CC1(CC2CC3C1)CC(C2)(C3)NC(=O)c4ccc(Cl)cc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O21 compound treatment -0.018 -0.029626 -0.1544 -0.1 -0.12027 -0.6684 0.019 -0.0033798 -0.0191 -0.4861 -0.7083 1695393 ChemDiv3_000681 O=C(N1CCOCC1)C2(CC3CC4C2)CC(C3)(C4)C(=O)N5CCOCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O22 compound treatment -0.006 -0.017626 -0.0919 -0.046 -0.06627 -0.3683 0.019 -0.0033798 -0.0191 -0.2767 -0.7281 1315761 ChemDiv3_000682 CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O23 mock treatment 0.126 0.11437 0.5961 -0.168 -0.18827 -1.0462 0.052 0.02962 0.1675 -0.1632 -0.1342 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 O24 mock treatment 0.017 0.0053745 0.028 0.081 0.06073 0.3375 0.058 0.03562 0.2014 0.3273 0.8307 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P01 compound treatment -0.039 -0.050626 -0.2639 0.131 0.11073 0.6153 -0.065 -0.08738 -0.4941 -0.0824 -0.099 1316678 ChemDiv3_000683 O=C(c1ccccc1)C2(CN3CN4CN(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P02 compound treatment 0.06 0.048374 0.2521 -0.079 -0.09927 -0.5517 -0.076 -0.09838 -0.5564 -0.4941 -0.6004 3117733 ChemDiv3_000684 CC(C)OC(=O)CSc1nnc(o1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P03 compound treatment -0.062 -0.073626 -0.3838 0.02 -2.7002E-4 -0.0015 -0.186 -0.20838 -1.1784 -0.9028 -0.7284 1919584 ChemDiv3_000685 Oc1ccccc1/C=N/c2ccc3oc(nc3c2)c4cccc(I)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P04 compound treatment 0.155 0.14337 0.7473 -0.653 -0.67327 -3.7415 -0.084 -0.10638 -0.6016 -2.076 -0.5375 3020710 ChemDiv3_000686 OCCNC(=O)c1cc[n+](CC(=O)c2cccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P05 compound treatment -0.052 -0.063626 -0.3316 -0.157 -0.17727 -0.9851 -0.055 -0.07738 -0.4376 -1.0129 -0.8981 1512305 ChemDiv3_000687 O=C(Oc1ccccc1N(C(=O)c2ccccc2)S(=O)(=O)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P06 compound treatment 0.076 0.064374 0.3355 -0.21 -0.23027 -1.2796 0.007 -0.01538 -0.087 -0.5953 -0.449 3020711 ChemDiv3_000688 Cc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P07 compound treatment 0.195 0.18337 0.9558 -0.231 -0.25127 -1.3963 -0.093 -0.11538 -0.6525 -0.6311 -0.348 1010956 ChemDiv3_000689 FC(F)(F)C(=O)Nc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P08 compound treatment 0.257 0.24537 1.2789 -0.123 -0.14327 -0.7962 0.308 0.28562 1.6152 1.2113 0.5484 3117734 ChemDiv3_000690 CC(C)C1CCC(C)CC1OC(=O)Cn2c[n+](C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P09 compound treatment -0.159 -0.17063 -0.8893 -0.054 -0.07427 -0.4127 0.104 0.08162 0.4616 -0.4853 -0.4478 3020712 ChemDiv3_000691 OC(=O)CCn1c(SCCOc2ccccc2)nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P10 compound treatment -0.135 -0.14663 -0.7642 -0.142 -0.16227 -0.9018 -0.068 -0.09038 -0.5111 -1.257 -0.976 3117735 ChemDiv3_000692 Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P11 compound treatment 0.029 0.017374 0.0906 0.039 0.01873 0.1041 -0.147 -0.16938 -0.9579 -0.4407 -0.4553 3020713 ChemDiv3_000693 COc1cc2sc(C)nc2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P12 compound treatment -0.017 -0.028626 -0.1492 -0.04 -0.06027 -0.3349 -0.062 -0.08438 -0.4772 -0.555 -0.9223 3117736 ChemDiv3_000694 CC1(CCC2(CC(=O)c3ccccc3)CC1)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P13 compound treatment -0.094 -0.10563 -0.5505 0.019 -0.00127 -0.0071 -0.201 -0.22338 -1.2633 -1.0513 -0.7629 3020714 ChemDiv3_000695 Nc1c(C#N)c(C(=O)c2ccc(Br)cc2)n3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P14 compound treatment -0.063 -0.074626 -0.389 -0.145 -0.16527 -0.9184 -0.076 -0.09838 -0.5564 -1.076 -0.9422 3117737 ChemDiv3_000696 CCNc1nc(F)cc(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P15 compound treatment -0.064 -0.075626 -0.3942 -0.257 -0.27727 -1.5408 -0.019 -0.04138 -0.234 -1.2523 -0.779 1476541 ChemDiv3_000697 OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P16 compound treatment -0.16 -0.17163 -0.8946 0.055 0.03473 0.193 -0.068 -0.09038 -0.5111 -0.7001 -0.6679 1722951 ChemDiv3_000698 C1CCC2(C1)Cc3ccccc3-c4nnc(c5ccccc5)n42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P17 compound treatment 0.105 0.093374 0.4867 -0.167 -0.18727 -1.0407 -0.099 -0.12138 -0.6864 -0.7162 -0.5351 3117738 ChemDiv3_000699 CCC(O)(CC)C1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P18 compound treatment -0.086 -0.097626 -0.5088 -0.061 -0.08127 -0.4516 0.353 0.33062 1.8697 0.525 0.2638 1912570 ChemDiv3_000700 Cc1ccc(CCS(=O)(=O)c2ccc(cc2)C(C)(C)C)c[n+]1CC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P19 compound treatment -0.083 -0.094626 -0.4932 -0.134 -0.15427 -0.8573 0.006 -0.01638 -0.0926 -0.8332 -0.8388 3020715 ChemDiv3_000701 CN/C=C\1/C=C(N(C)C1=S)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P20 compound treatment -0.272 -0.28363 -1.4783 0.058 0.03773 0.2097 0.134 0.11162 0.6312 -0.368 -0.227 3117739 ChemDiv3_000702 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P21 compound treatment 0.145 0.13337 0.6952 -0.046 -0.06627 -0.3683 -0.092 -0.11438 -0.6468 -0.1847 -0.1814 3020716 ChemDiv3_000703 COc1ccc(OCCSc2ncnc3[nH]cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P22 compound treatment -0.119 -0.13063 -0.6809 0.097 0.07673 0.4264 0.728 0.70562 3.9904 2.157 0.5299 1343334 ChemDiv3_000704 COC(=O)C1=C(C)NC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P23 mock treatment -0.011 -0.022626 -0.1179 0.051 0.03073 0.1708 0.253 0.23062 1.3042 0.7835 0.5933 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2002 P24 mock treatment 0.0 -0.011626 -0.0606 0.026 0.00573 0.0318 -0.144 -0.16638 -0.9409 -0.5598 -0.5934 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A01 compound treatment 0.059 0.047374 0.2469 0.028 0.00773 0.043 -0.131 -0.15338 -0.8674 -0.3334 -0.3693 1658490 ChemDiv3_001761 Cc1cc(=O)[nH]c(Nc2ccccc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A02 compound treatment 0.027 0.015374 0.0801 0.0 -0.02027 -0.1126 0.514 0.49162 2.7802 1.5864 0.5699 1465213 ChemDiv3_001762 CCOc1ccc2nc(Nc3nc(O)cc(O)n3)nc(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A03 compound treatment -0.013 -0.024626 -0.1284 0.156 0.13573 0.7543 0.062 0.03962 0.2241 0.4907 0.6155 3118036 ChemDiv3_001763 COc1cccc2s/c(=N/C(=O)Cc3cccc4ccccc34)/n(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A04 compound treatment 0.056 0.044374 0.2313 -0.043 -0.06327 -0.3516 -0.086 -0.10838 -0.6129 -0.4233 -0.5694 3118037 ChemDiv3_001764 NC1=NC(=O)CC(S1)C(=O)Nc2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A05 compound treatment 0.063 0.051374 0.2678 -0.128 -0.14827 -0.824 -0.14 -0.16238 -0.9183 -0.8513 -0.6743 1135271 ChemDiv3_001765 Oc1cc(Cc2nc3ccccc3s2)c(O)cc1Cc4nc5ccccc5s4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A06 compound treatment -0.041 -0.052626 -0.2743 -0.124 -0.14427 -0.8017 -0.148 -0.17038 -0.9635 -1.1775 -0.9177 1132838 ChemDiv3_001766 O=C(CSC#N)n1c2ccccc2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A07 compound treatment 0.054 0.042374 0.2209 -0.069 -0.08927 -0.4961 0.104 0.08162 0.4616 0.1076 0.151 3118038 ChemDiv3_001767 O=S(=O)(/N=C(/NC(=S)OC1CCCCC1)\c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A08 compound treatment 0.088 0.076374 0.3981 -0.007 -0.02727 -0.1515 0.437 0.41462 2.3448 1.4961 0.6278 3021527 ChemDiv3_001768 CC(C)COc1ccc(cc1)C(=S)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A09 compound treatment 0.07 0.058374 0.3043 -0.03 -0.05027 -0.2794 -0.101 -0.12338 -0.6977 -0.3885 -0.4791 3021563 ChemDiv3_001769 COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N(C)CCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A10 compound treatment 0.032 0.020374 0.1062 0.055 0.03473 0.193 -0.115 -0.13738 -0.7769 -0.2758 -0.3415 3021564 ChemDiv3_001770 Cc1cc(C(=O)O)c(=O)[nH]c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A11 compound treatment 0.032 0.020374 0.1062 -0.273 -0.29327 -1.6297 -0.411 -0.43338 -2.4508 -2.2946 -0.7791 1689022 ChemDiv3_001771 Cc1ccc2n(CC(O)CNCc3ccco3)c(c(c4ccccc4)c2c1)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A12 compound treatment 0.056 0.044374 0.2313 -0.055 -0.07527 -0.4183 -0.366 -0.38838 -2.1964 -1.376 -0.6122 3118039 ChemDiv3_001772 NNC(=O)CN1C(c2ccccc2)c3cc(Cl)ccc3N=C1c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A13 compound treatment -0.233 -0.24463 -1.275 -0.007 -0.02727 -0.1515 0.033 0.01062 0.0601 -0.789 -0.6138 1296978 ChemDiv3_001773 C=CCNC(=O)c1cc2ccccc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A14 compound treatment 0.052 0.040374 0.2104 -0.067 -0.08727 -0.485 -0.092 -0.11438 -0.6468 -0.532 -0.6368 3021565 ChemDiv3_001774 CCOC(=O)/C(=C/1\Nc2ccccc2C1=O)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A15 compound treatment 0.027 0.015374 0.0801 -0.013 -0.03327 -0.1849 -0.007 -0.02938 -0.1661 -0.1564 -0.5989 1549910 ChemDiv3_001775 CC(=O)Nc1ccc(NC(=O)C2(CCCC2)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A16 compound treatment -0.019 -0.030626 -0.1596 -0.178 -0.19827 -1.1018 -0.006 -0.02838 -0.1605 -0.821 -0.7298 3021566 ChemDiv3_001776 Clc1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A17 compound treatment 0.032 0.020374 0.1062 0.013 -0.00727 -0.0404 -0.156 -0.17838 -1.0088 -0.5444 -0.5363 3118040 ChemDiv3_001777 NC(=O)/C(=C/c1ccc2OCOc2c1)/NC(=O)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A18 compound treatment -0.006 -0.017626 -0.0919 -0.042 -0.06227 -0.346 0.19 0.16762 0.9479 0.2945 0.2906 3021567 ChemDiv3_001778 O=C1C=C(N2CCOCC2)C(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A19 compound treatment -0.083 -0.094626 -0.4932 0.0 -0.02027 -0.1126 0.069 0.04662 0.2636 -0.1976 -0.3463 1179633 ChemDiv3_001779 COc1cc(CN2CCN(CC2)C(=O)COc3ccccc3)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A20 compound treatment -0.013 -0.024626 -0.1284 0.006 -0.01427 -0.0793 -0.257 -0.27938 -1.5799 -1.0321 -0.6503 3118041 ChemDiv3_001780 CC(C)(C)c1n[nH]c2OC(=C(C#N)C(c12)c3ccc(OC(=O)c4ccccc4Cl)cc3)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A21 compound treatment -0.063 -0.074626 -0.389 -0.054 -0.07427 -0.4127 -0.084 -0.10638 -0.6016 -0.8102 -0.9799 3021568 ChemDiv3_001781 Cc1ccc(cc1)C2C3=C(NC4=C2C(=O)CC(C)(C)C4)c5ccccc5C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A22 compound treatment 0.122 0.11037 0.5753 0.045 0.02473 0.1374 -0.095 -0.11738 -0.6638 0.0282 0.0318 3118042 ChemDiv3_001782 COc1cccc(c1)N2C(=O)/C(=C/c3ccsc3)/C(=O)NC2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A23 mock treatment 0.128 0.11637 0.6066 0.073 0.05273 0.293 0.116 0.09362 0.5294 0.8251 0.963 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 A24 mock treatment 0.103 0.091374 0.4763 0.101 0.08073 0.4486 0.1 0.07762 0.439 0.7874 0.9994 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B01 compound treatment -0.041 -0.052626 -0.2743 -0.19 -0.21027 -1.1685 -0.115 -0.13738 -0.7769 -1.2815 -0.8963 1408187 ChemDiv3_001783 Cc1ccc(NC(=O)CSc2nnc(s2)N3C(=O)c4ccccc4C3=O)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B02 compound treatment 0.145 0.13337 0.6952 -0.084 -0.10427 -0.5794 -0.075 -0.09738 -0.5507 -0.2511 -0.2371 1465544 ChemDiv3_001784 S=C(Nc1ccccc1)N2CCC(=N2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B03 compound treatment -0.084 -0.095626 -0.4984 -0.081 -0.10127 -0.5628 0.16 0.13762 0.7783 -0.1633 -0.151 3118043 ChemDiv3_001785 Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cccc(O)c3)/C2=O)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B04 compound treatment -0.065 -0.076626 -0.3994 3.262 3.2417 8.7635 -0.138 -0.16038 -0.907 4.3054 0.4882 1229641 ChemDiv3_001786 CCOC(=O)C(Cc1ccccc1)C(=O)Nc2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B05 compound treatment 0.252 0.24037 1.2529 0.819 0.79873 4.4387 -0.06 -0.08238 -0.4659 3.0171 0.6508 3021569 ChemDiv3_001787 CCN1C(=O)C(=Cc2ccc(o2)c3ccccc3F)C(=O)N(CC)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B06 compound treatment 0.138 0.12637 0.6587 0.039 0.01873 0.1041 0.027 0.0046202 0.0261 0.4555 0.6825 1193124 ChemDiv3_001788 Cc1oc2ccc(O)cc2c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B07 compound treatment 0.08 0.068374 0.3564 -0.073 -0.09327 -0.5183 -0.235 -0.25738 -1.4555 -0.9338 -0.5889 3021570 ChemDiv3_001789 CC(C)(C)N(CCO)C(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B08 compound treatment -0.006 -0.017626 -0.0919 -0.092 -0.11227 -0.6239 0.212 0.18962 1.0723 0.2059 0.1655 1231195 ChemDiv3_001790 COC(=O)COc1cccc2c1ccc3c4CCCCc4c(=O)oc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B09 compound treatment 0.013 0.0013745 0.0072 -0.084 -0.10427 -0.5794 -0.209 -0.23138 -1.3085 -1.0859 -0.7588 3118044 ChemDiv3_001791 CCCCn1c-2c(CCc3nonc32)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B10 compound treatment -0.095 -0.10663 -0.5558 0.032 0.01173 0.0652 -0.123 -0.14538 -0.8221 -0.7579 -0.7621 1442608 ChemDiv3_001792 COc1ccc(cc1OC)C2CC(=O)c3cnc(N)nc3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B11 compound treatment 0.017 0.0053745 0.028 -0.129 -0.14927 -0.8295 -0.571 -0.59338 -3.3557 -2.4001 -0.6943 1122476 ChemDiv3_001793 Clc1ccc(cc1)c2nc(N3CCCCC3)c4ccccc4n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B12 compound treatment 0.051 0.039374 0.2052 0.024 0.00373 0.0207 -0.169 -0.19138 -1.0823 -0.4944 -0.4487 3118045 ChemDiv3_001794 CN1C(=O)/C(=C/2\SC(=S)N(C3CCS(=O)(=O)C3)C2=O)/c4cc(Br)ccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B13 compound treatment 0.007 -0.0046255 -0.0241 -0.224 -0.24427 -1.3574 -0.233 -0.25538 -1.4442 -1.6315 -0.8231 1382733 ChemDiv3_001795 Oc1ccc(I)nc1CCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B14 compound treatment -0.184 -0.19563 -1.0196 -0.121 -0.14127 -0.7851 0.027 0.0046202 0.0261 -1.0269 -0.7978 1453546 ChemDiv3_001796 CN(C)c1ccc(cc1)N2C(=O)C3CC(=C(C)CC3C2=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B15 compound treatment -0.256 -0.26763 -1.3949 -0.038 -0.05827 -0.3238 0.156 0.13362 0.7556 -0.556 -0.3434 1593282 ChemDiv3_001797 COc1ccc2N(C(=O)Nc3ccc(Cl)cc3)C(C)(C)CC(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B16 compound treatment 0.007 -0.0046255 -0.0241 -0.235 -0.25527 -1.4186 0.072 0.04962 0.2806 -0.6709 -0.4639 3021571 ChemDiv3_001798 CCCCC1(C)OC(=O)C(=Cc2ccc(SC)cc2)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B17 compound treatment 0.195 0.18337 0.9558 1.256 1.2357 6.1188 -0.047 -0.06938 -0.3924 3.858 0.6217 1026532 ChemDiv3_001799 Cc1ccc(cc1)C(=O)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B18 compound treatment 0.163 0.15137 0.789 0.112 0.09173 0.5098 0.04 0.01762 0.0996 0.8074 0.8547 3021572 ChemDiv3_001800 O=C1C=CC2(CC3(CCCCC3)N=C2SCc4ccccc4)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B19 compound treatment 0.115 0.10337 0.5388 -0.273 -0.29327 -1.6297 -0.07 -0.09238 -0.5224 -0.9315 -0.5191 1698847 ChemDiv3_001801 O=c1n(Cc2ccccc2)c(=S)[nH]c3sc4CCCCCc4c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B20 compound treatment 0.0 -0.011626 -0.0606 0.132 0.11173 0.6209 -0.052 -0.07438 -0.4206 0.0806 0.1072 1202827 ChemDiv3_001802 Cc1nc2ccccc2c(=O)n1NCc3ccccc3Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B21 compound treatment 0.02 0.0083745 0.0436 -0.096 -0.11627 -0.6461 -0.09 -0.11238 -0.6355 -0.7148 -0.7877 1391827 ChemDiv3_001803 CNC(=O)c1c(c2ccccc2)c3cc(OC)ccc3n1CCN(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B22 compound treatment 0.043 0.031374 0.1635 -0.019 -0.03927 -0.2182 -0.159 -0.18138 -1.0257 -0.6238 -0.5877 3118046 ChemDiv3_001804 CCOC(=O)c1c(C)oc2ccc(OCC)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B23 mock treatment -0.036 -0.047626 -0.2482 -0.031 -0.05127 -0.2849 0.106 0.08362 0.4729 -0.0348 -0.0575 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 B24 mock treatment 0.032 0.020374 0.1062 -0.105 -0.12527 -0.6961 -0.007 -0.02938 -0.1661 -0.4365 -0.6033 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C01 compound treatment 0.075 0.063374 0.3303 -0.227 -0.24727 -1.3741 0.089 0.06662 0.3767 -0.3851 -0.2633 3118047 ChemDiv3_001805 COc1ccc(cc1OC)C(CC(=O)c2ccco2)Sc3cccc4cccnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C02 compound treatment -0.019 -0.030626 -0.1596 0.112 0.09173 0.5098 -0.096 -0.11838 -0.6695 -0.1844 -0.2153 1315783 ChemDiv3_001806 Cn1ccnc1SCC(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C03 compound treatment -0.092 -0.10363 -0.5401 0.024 0.00373 0.0207 -0.309 -0.33138 -1.874 -1.3818 -0.7085 3118179 ChemDiv3_001807 COc1cccc2s/c(=N/C(=O)COc3ccc(Cl)cc3Cl)/n(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C04 compound treatment 0.054 0.042374 0.2209 0.12 0.09973 0.5542 0.0 -0.02238 -0.1266 0.3744 0.6139 3021573 ChemDiv3_001808 CCOC(=O)CCSc1nc(C)c2ccccc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C05 compound treatment -0.256 -0.26763 -1.3949 -0.242 -0.26227 -1.4575 0.103 0.08062 0.4559 -1.3836 -0.669 1356071 ChemDiv3_001809 CP(=O)(O)c1nccn1c2ccc(Cl)nn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C06 compound treatment 0.0 -0.011626 -0.0606 -0.055 -0.07527 -0.4183 -0.026 -0.04838 -0.2736 -0.4344 -0.8629 3118180 ChemDiv3_001810 COCc1cc(=O)nc(Sc2c(O)nc3cc(Cl)ccc3c2c4ccccc4)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C07 compound treatment -0.179 -0.19063 -0.9936 -0.075 -0.09527 -0.5294 -0.056 -0.07838 -0.4433 -1.1352 -0.9382 3021574 ChemDiv3_001811 Cc1n(C)c2ccccc2[n+]1CC(=O)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C08 compound treatment 0.548 0.53637 2.7957 -0.166 -0.18627 -1.0351 -0.023 -0.04538 -0.2566 0.8683 0.2902 1515483 ChemDiv3_001812 S=C(N1CCCCC1)c2cccc(OCc3ccccc3)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C09 compound treatment -0.006 -0.017626 -0.0919 -0.216 -0.23627 -1.313 -0.073 -0.09538 -0.5394 -1.1225 -0.7891 1633788 ChemDiv3_001813 COc1ccc(cc1OC)C2CC(=O)n3nc(nc3S2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C10 compound treatment -0.166 -0.17763 -0.9258 0.127 0.10673 0.5931 -0.117 -0.13938 -0.7882 -0.6472 -0.4784 3118181 ChemDiv3_001814 C/C(=C\C=C\c1ccccc1)/C(=O)c2c(C)cc(C)[nH]c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C11 compound treatment 0.0 -0.011626 -0.0606 -0.062 -0.08227 -0.4572 -0.18 -0.20238 -1.1445 -0.9597 -0.7778 1558595 ChemDiv3_001815 Cc1ccc2n(CC(O)Cn3c(C)cc(C)nc3=O)c(c(c4ccccc4)c2c1)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C12 compound treatment -0.069 -0.080626 -0.4202 -0.137 -0.15727 -0.874 -0.02 -0.04238 -0.2397 -0.8856 -0.8865 3021616 ChemDiv3_001816 COC(=O)CN1C(c2ccccc2)c3cc(Cl)ccc3N=C1c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C13 compound treatment -0.006 -0.017626 -0.0919 -0.187 -0.20727 -1.1518 -0.02 -0.04238 -0.2397 -0.8564 -0.7257 1164199 ChemDiv3_001817 COc1ccc(CNc2ncn[nH]2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C14 compound treatment 0.038 0.026374 0.1375 -0.098 -0.11827 -0.6572 -0.104 -0.12638 -0.7147 -0.7127 -0.7268 1183780 ChemDiv3_001818 Cc1ccc(cc1C)C(=O)c2cc(F)c(cc2Cl)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C15 compound treatment 0.162 0.15037 0.7838 0.006 -0.01427 -0.0793 -0.268 -0.29038 -1.6422 -0.5414 -0.2972 1590710 ChemDiv3_001819 Clc1ccccc1C(=O)NCCc2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C16 compound treatment 0.061 0.049374 0.2574 -0.104 -0.12427 -0.6906 0.362 0.33962 1.9206 0.8587 0.4174 3118182 ChemDiv3_001820 COc1ccccc1N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C17 compound treatment -0.037 -0.048626 -0.2534 -0.024 -0.04427 -0.246 -0.044 -0.06638 -0.3754 -0.5051 -0.9799 3021617 ChemDiv3_001821 OC(=O)/C(=C/c1ccc2OCOc2c1)/NC(=O)c3ccccc3Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C18 compound treatment 0.117 0.10537 0.5492 -0.031 -0.05127 -0.2849 -0.145 -0.16738 -0.9466 -0.3939 -0.3483 3118183 ChemDiv3_001822 Ic1ccc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C19 compound treatment 0.085 0.073374 0.3824 0.019 -0.00127 -0.0071 -0.242 -0.26438 -1.4951 -0.6465 -0.4189 1705372 ChemDiv3_001823 CCn1c2ccccc2c3cc(CN4CCN(Cc5cccc(C)c5)CC4)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C20 compound treatment -0.123 -0.13463 -0.7017 0.073 0.05273 0.293 -0.431 -0.45338 -2.5639 -1.7162 -0.6417 1427498 ChemDiv3_001824 Clc1ccc(CN2CCNCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C21 compound treatment 0.012 3.7448E-4 0.002 -0.089 -0.10927 -0.6072 -0.375 -0.39738 -2.2473 -1.6469 -0.7075 1410682 ChemDiv3_001825 CC1CC(Nc2ccccc2)c3ccccc3N1S(=O)(=O)c4ccc(Br)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C22 compound treatment -0.097 -0.10863 -0.5662 -0.113 -0.13327 -0.7406 -0.045 -0.06738 -0.381 -0.9745 -0.9676 3021618 ChemDiv3_001826 COc1cccc(/C=C/2\C(=O)NC(=O)N(C)C2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C23 mock treatment -0.017 -0.028626 -0.1492 0.059 0.03873 0.2152 -0.14 -0.16238 -0.9183 -0.4921 -0.5153 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 C24 mock treatment -0.133 -0.14463 -0.7538 0.116 0.09573 0.532 -0.02 -0.04238 -0.2397 -0.2664 -0.2795 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D01 compound treatment 0.018 0.0063745 0.0332 -0.112 -0.13227 -0.735 -0.211 -0.23338 -1.3198 -1.1672 -0.7724 3021619 ChemDiv3_001827 CCOC(=O)c1nc2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D02 compound treatment -0.075 -0.086626 -0.4515 0.045 0.02473 0.1374 -0.15 -0.17238 -0.9748 -0.7442 -0.6871 1548078 ChemDiv3_001828 O=C(c1c(oc2C(=O)c3ccccc3C(=O)c12)c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D03 compound treatment 0.876 0.86437 4.5053 -0.024 -0.04427 -0.246 0.07 0.04762 0.2693 2.6146 0.5784 3118184 ChemDiv3_001829 Oc1ccc(/C=C/2\C(=O)NC(=O)N(CC=C)C2=O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D04 compound treatment 0.039 0.027374 0.1427 -0.11 -0.13027 -0.7239 -0.372 -0.39438 -2.2303 -1.6232 -0.691 1159195 ChemDiv3_001830 O=C(CCC1CCCCC1)Nc2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D05 compound treatment 0.11 0.098374 0.5128 -0.137 -0.15727 -0.874 0.006 -0.01638 -0.0926 -0.262 -0.2575 3021621 ChemDiv3_001831 Clc1ccc(cc1)c2ccc(=S)n(n2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D06 compound treatment 0.186 0.17437 0.9089 0.486 0.46573 2.5881 0.151 0.12862 0.7274 2.439 0.8594 1463047 ChemDiv3_001832 Cc1ccc(OC(=O)c2cc(ccc2C)S(=O)(=O)N3CCCC3)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D07 compound treatment 0.076 0.064374 0.3355 -0.058 -0.07827 -0.435 0.058 0.03562 0.2014 0.0589 0.1007 3021622 ChemDiv3_001833 CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D08 compound treatment -0.034 -0.045626 -0.2378 0.066 0.04573 0.2541 -0.05 -0.07238 -0.4093 -0.2269 -0.4223 1242363 ChemDiv3_001834 CCOC(=O)C(C)Oc1cc2oc(=O)c3CCCCc3c2cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D09 compound treatment -0.114 -0.12563 -0.6548 0.006 -0.01427 -0.0793 -0.127 -0.14938 -0.8448 -0.9116 -0.8505 3021623 ChemDiv3_001835 CCOC(=O)c1c(C)n(OCc2ccccc2)c3ccc4nonc4c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D10 compound treatment 0.119 0.10737 0.5597 -0.051 -0.07127 -0.3961 0.114 0.09162 0.5181 0.3936 0.458 1388539 ChemDiv3_001836 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccccc5)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D11 compound treatment 0.106 0.094374 0.4919 -0.153 -0.17327 -0.9629 -0.252 -0.27438 -1.5517 -1.1678 -0.6175 3021624 ChemDiv3_001837 CCOc1nc(nc2ccccc12)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D12 compound treatment -0.046 -0.057626 -0.3004 0.054 0.03373 0.1874 0.06 0.03762 0.2127 0.0576 0.1395 3118185 ChemDiv3_001838 Cc1cccn2c(=O)c(/C=C/3\SC(=S)NC3=O)c(NCC=C)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D13 compound treatment -0.006 -0.017626 -0.0919 -0.447 -0.46727 -2.5967 0.136 0.11362 0.6425 -1.1813 -0.4413 3021625 ChemDiv3_001839 CC1(C)CC(=O)/C(=C/c2ccco2)/CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D14 compound treatment 0.032 0.020374 0.1062 -0.118 -0.13827 -0.7684 -0.096 -0.11838 -0.6695 -0.7688 -0.7503 1476666 ChemDiv3_001840 Brc1ccccc1C(=O)Nc2cccc(c2)c3nc4ccccc4c(=O)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D15 compound treatment -0.051 -0.062626 -0.3264 0.113 0.09273 0.5153 -0.319 -0.34138 -1.9306 -1.0056 -0.4967 3118186 ChemDiv3_001841 CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(SC4=NCCS4)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D16 compound treatment -0.071 -0.082626 -0.4307 -0.223 -0.24327 -1.3519 0.374 0.35162 1.9885 0.1189 0.0487 3021626 ChemDiv3_001842 O=C1OC(OC(=O)C1=Cc2cccc(OCc3ccccc3)c2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D17 compound treatment 0.071 0.059374 0.3095 -0.097 -0.11727 -0.6517 -0.059 -0.08138 -0.4602 -0.4633 -0.5414 1107247 ChemDiv3_001843 CC1CCCC(C)N1C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D18 compound treatment 0.084 0.072374 0.3772 -0.053 -0.07327 -0.4072 -0.073 -0.09538 -0.5394 -0.3287 -0.4247 3021627 ChemDiv3_001844 COc1cc2CC(C)(C)N=C(Nc3nc(cs3)c4ccccc4)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D19 compound treatment -0.037 -0.048626 -0.2534 -0.013 -0.03327 -0.1849 0.102 0.07962 0.4503 0.0069 0.0126 3118187 ChemDiv3_001845 CCCCc1nc2ccccc2c(=O)n1c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D20 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 -0.263 -0.28538 -1.6139 -1.0318 -0.6373 1507247 ChemDiv3_001846 Clc1c(sc2ccccc12)C(=O)NCCC3=CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D21 compound treatment -0.044 -0.055626 -0.2899 0.118 0.09773 0.5431 0.067 0.04462 0.2523 0.2919 0.4386 3021628 ChemDiv3_001847 COC(=O)Cn1c2CCCCc2c3cc(C)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D22 compound treatment -0.162 -0.17363 -0.905 0.072 0.05173 0.2875 0.054 0.03162 0.1788 -0.2533 -0.2621 1488517 ChemDiv3_001848 COC(=O)c1c(C)oc2ccc(OCC#N)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D23 mock treatment -0.084 -0.095626 -0.4984 0.11 0.08973 0.4986 0.012 -0.01038 -0.0587 -0.0338 -0.0477 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 D24 mock treatment 0.024 0.012374 0.0645 0.0 -0.02027 -0.1126 -0.14 -0.16238 -0.9183 -0.558 -0.6016 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E01 compound treatment 0.197 0.18537 0.9662 -0.099 -0.11927 -0.6628 -0.101 -0.12338 -0.6977 -0.2277 -0.1669 1575197 ChemDiv3_001849 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)C(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E02 compound treatment 0.039 0.027374 0.1427 0.013 -0.00727 -0.0404 -0.041 -0.06338 -0.3584 -0.1479 -0.3813 1324387 ChemDiv3_001850 Cc1ccc(cc1)C(=O)N2C(=O)C(Oc3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E03 compound treatment 0.02 0.0083745 0.0436 0.084 0.06373 0.3542 0.053 0.03062 0.1732 0.3297 0.8311 3118188 ChemDiv3_001851 COc1cccc2s/c(=N/C(=S)NC(=O)c3ccc(C)cc3)/n(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E04 compound treatment 0.069 0.057374 0.299 -0.168 -0.18827 -1.0462 -0.012 -0.03438 -0.1944 -0.5436 -0.4918 3021629 ChemDiv3_001852 CCOC(=O)CSc1nc(C)c2cc(C)c(C)cc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E05 compound treatment 0.0 -0.011626 -0.0606 -0.062 -0.08227 -0.4572 -0.169 -0.19138 -1.0823 -0.9238 -0.7852 1633868 ChemDiv3_001853 O=C(Nc1ccccc1c2nc3ccccc3s2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E06 compound treatment 0.335 0.32337 1.6855 0.161 0.14073 0.7821 0.069 0.04662 0.2636 1.5769 0.8402 1479197 ChemDiv3_001854 Oc1nc2cc(Cl)ccc2c(c1SC3=NCCS3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E07 compound treatment 0.013 0.0013745 0.0072 -0.062 -0.08227 -0.4572 0.0 -0.02238 -0.1266 -0.3329 -0.7017 1403729 ChemDiv3_001855 COc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E08 compound treatment -0.099 -0.11063 -0.5766 -0.068 -0.08827 -0.4905 0.351 0.32862 1.8584 0.4568 0.2277 1609478 ChemDiv3_001856 COc1ccc(cc1OC)C(=S)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E09 compound treatment 0.044 0.032374 0.1687 -0.023 -0.04327 -0.2405 0.101 0.07862 0.4446 0.2153 0.404 3118189 ChemDiv3_001857 Cc1ccc(c(C)c1)n2c(C)cc(=O)cc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E10 compound treatment -0.159 -0.17063 -0.8893 -0.032 -0.05227 -0.2905 -0.105 -0.12738 -0.7204 -1.0971 -0.9291 1627173 ChemDiv3_001858 OC(=O)CCCC(=O)Nc1cccc2cccnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E11 compound treatment -0.072 -0.083626 -0.4359 -0.166 -0.18627 -1.0351 -0.265 -0.28738 -1.6252 -1.7876 -0.9049 3021676 ChemDiv3_001859 Cc1cc(O)nc(SCC(=O)c2cccs2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E12 compound treatment 0.103 0.091374 0.4763 -0.161 -0.18127 -1.0073 -0.021 -0.04338 -0.2453 -0.4483 -0.3929 3118190 ChemDiv3_001860 Cc1ccc2[nH]c(=O)c(c(c3ccccc3)c2c1)[n+]4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E13 compound treatment -0.085 -0.096626 -0.5036 0.116 0.09573 0.532 0.174 0.15162 0.8574 0.5114 0.4535 3118191 ChemDiv3_001861 C/C(=C/1\SC(=S)NC1=O)/C\C(=C/2\SC(=S)NC2=O)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E14 compound treatment -0.085 -0.096626 -0.5036 0.014 -0.00627 -0.0348 -0.078 -0.10038 -0.5677 -0.6386 -0.8407 1418462 ChemDiv3_001862 O=C(Oc1ccc2ccc(=O)oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E15 compound treatment -0.007 -0.018626 -0.0971 -0.072 -0.09227 -0.5128 0.079 0.05662 0.3202 -0.1672 -0.2731 1307975 ChemDiv3_001863 CCOC(=O)c1ccc(Nc2cc(C)nc(n2)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E16 compound treatment 0.037 0.025374 0.1323 -0.06 -0.08027 -0.4461 -0.083 -0.10538 -0.5959 -0.5252 -0.6947 3021677 ChemDiv3_001864 COc1cccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(OC)c3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E17 compound treatment 0.109 0.097374 0.5075 -0.094 -0.11427 -0.635 -0.269 -0.29138 -1.6478 -1.025 -0.5578 3118326 ChemDiv3_001865 Clc1ccccc1C(=O)N/C(=C\c2ccc3OCOc3c2)/C(=O)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E18 compound treatment -0.348 -0.35963 -1.8745 -0.096 -0.11627 -0.6461 0.056 0.03362 0.1901 -1.3455 -0.6755 1535987 ChemDiv3_001866 CC1CCN(Cn2c(=S)n(CN3CCC(C)CC3)c4ccccc24)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E19 compound treatment 0.124 0.11237 0.5857 0.096 0.07573 0.4208 -0.064 -0.08638 -0.4885 0.2991 0.3434 1155262 ChemDiv3_001867 COc1ccccc1CN2CCN(Cc3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E20 compound treatment 0.222 0.21037 1.0965 0.341 0.32073 1.7823 -0.313 -0.33538 -1.8966 0.5671 0.2008 1640740 ChemDiv3_001868 CCCC1=C(C(C(=C(N1)SC)C#N)c2ccccc2Cl)C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E21 compound treatment 0.075 0.063374 0.3303 0.006 -0.01427 -0.0793 -0.107 -0.12938 -0.7317 -0.2775 -0.344 1272136 ChemDiv3_001869 CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E22 compound treatment -0.095 -0.10663 -0.5558 -0.06 -0.08027 -0.4461 0.255 0.23262 1.3155 0.1811 0.121 3118327 ChemDiv3_001870 CN1C(=O)NC(=O)/C(=C\c2ccc(O)cc2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E23 mock treatment -0.006 -0.017626 -0.0919 0.014 -0.00627 -0.0348 0.091 0.06862 0.3881 0.1509 0.3769 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 E24 mock treatment 0.042 0.030374 0.1583 0.058 0.03773 0.2097 0.121 0.09862 0.5577 0.5345 0.8669 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F01 compound treatment 0.026 0.014374 0.0749 -0.168 -0.18827 -1.0462 0.014 -0.0083798 -0.0474 -0.5882 -0.5601 1132984 ChemDiv3_001871 COc1ccc(NC(=S)NCC2CCCO2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F02 compound treatment -0.035 -0.046626 -0.243 -0.104 -0.12427 -0.6906 -0.103 -0.12538 -0.709 -0.9484 -0.9305 3118328 ChemDiv3_001872 O=C1c2oc(c(C#N)c2C(=O)c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F03 compound treatment -0.198 -0.20963 -1.0926 0.013 -0.00727 -0.0404 3.822 3.7996 9.2971 4.7135 0.5035 3021678 ChemDiv3_001873 CCN1C(=O)/C(=C/c2ccc[nH]2)/C(=O)NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F04 compound treatment 0.149 0.13737 0.716 0.105 0.08473 0.4709 0.106 0.08362 0.4729 0.9583 0.979 3118329 ChemDiv3_001874 COc1ccc(cc1OC)C2CC(=NN2)c3cc(Cl)ccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F05 compound treatment 0.056 0.044374 0.2313 -0.037 -0.05727 -0.3183 -0.007 -0.02938 -0.1661 -0.1461 -0.3422 1704441 ChemDiv3_001875 CCSc1ccc(NC(=O)CC2c3ccccc3Oc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F06 compound treatment 0.127 0.11537 0.6014 -0.057 -0.07727 -0.4294 0.032 0.0096202 0.0544 0.1307 0.1764 1175553 ChemDiv3_001876 Cc1ccc(cc1S(=O)(=O)N2CCCCC2)C(=O)NCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F07 compound treatment 0.113 0.10137 0.5284 -0.027 -0.04727 -0.2627 -0.396 -0.41838 -2.366 -1.2126 -0.4973 3118330 ChemDiv3_001877 CCCCN(C)Cc1c(O)ccc2c(=O)c(c3ccccc3OC)c(oc12)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F08 compound treatment 0.043 0.031374 0.1635 -0.081 -0.10127 -0.5628 -0.237 -0.25938 -1.4668 -1.0774 -0.6821 1437891 ChemDiv3_001878 Cc1cn2c(n1)n(Cc3ccc(C)cc3)c4ccccc42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F09 compound treatment 0.152 0.14037 0.7317 0.0 -0.02027 -0.1126 -0.093 -0.11538 -0.6525 -0.0193 -0.0196 3118331 ChemDiv3_001879 [O-][n+]1c(c2ccccc2)c(=O)n(OCc3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F10 compound treatment -0.039 -0.050626 -0.2639 -0.108 -0.12827 -0.7128 0.19 0.16762 0.9479 -0.0166 -0.0137 1724763 ChemDiv3_001880 CCNC(=S)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(cc4)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F11 compound treatment 0.052 0.040374 0.2104 0.067 0.04673 0.2597 -0.058 -0.08038 -0.4546 0.009 0.0159 1445265 ChemDiv3_001881 C1CCN(C1)c2nc3ccccc3n4cnnc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F12 compound treatment 0.082 0.070374 0.3668 -0.006 -0.02627 -0.146 -0.073 -0.09538 -0.5394 -0.1839 -0.2752 1581689 ChemDiv3_001882 Cc1ccc(cc1)c2nnc(Sc3nc4ccccc4o3)c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F13 compound treatment 0.111 0.099374 0.518 -0.34 -0.36027 -2.0021 0.204 0.18162 1.0271 -0.2639 -0.1143 1785410 ChemDiv3_001883 CC(C)N1CC2(N3CC4(C)CN2CC(C)(C3)C4=O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F14 compound treatment -0.1 -0.11163 -0.5818 0.0 -0.02027 -0.1126 -0.015 -0.03738 -0.2114 -0.523 -0.8312 1701789 ChemDiv3_001884 CS(=O)(=O)N(Cc1ccc(Cl)cc1)c2ccc(cc2)C(=O)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F15 compound treatment -0.143 -0.15463 -0.8059 0.139 0.11873 0.6598 -0.012 -0.03438 -0.1944 -0.1966 -0.1856 3118332 ChemDiv3_001885 NC(=N)/N=c/1\[nH]c(=O)c2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F16 compound treatment -0.063 -0.074626 -0.389 0.039 0.01873 0.1041 0.007 -0.01538 -0.087 -0.2147 -0.5212 3118333 ChemDiv3_001886 CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F17 compound treatment 0.11 0.098374 0.5128 0.637 0.61673 3.4273 0.497 0.47462 2.6841 3.8244 0.8725 1472344 ChemDiv3_001887 O=C(OCCN1C(=O)c2ccccc2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F18 compound treatment 0.06 0.048374 0.2521 0.026 0.00573 0.0318 -0.032 -0.05438 -0.3075 -0.0136 -0.0341 1671379 ChemDiv3_001888 COc1ccc(OC)c2C(=NC(C)(C)Cc12)SC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F19 compound treatment -0.057 -0.068626 -0.3577 -0.281 -0.30127 -1.6742 -0.113 -0.13538 -0.7656 -1.6151 -0.8612 3021679 ChemDiv3_001889 CCOC(=O)c1c(C)c2/C(=N/O)/CCCc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F20 compound treatment -0.054 -0.065626 -0.3421 -0.373 -0.39327 -2.1855 0.338 0.31562 1.7849 -0.4288 -0.1508 1637847 ChemDiv3_001890 CC(=O)Oc1ccc2cc(c3nc4ccccc4n3C)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F21 compound treatment -0.013 -0.024626 -0.1284 -0.025 -0.04527 -0.2516 -0.025 -0.04738 -0.2679 -0.374 -0.9608 3021680 ChemDiv3_001891 N#CCc1nnc2CCCCCn12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F22 compound treatment 0.232 0.22037 1.1486 -0.237 -0.25727 -1.4297 -0.361 -0.38338 -2.1681 -1.414 -0.4979 1388136 ChemDiv3_001892 COC(=O)c1c(C)oc2ccc(OCc3ccccc3C)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F23 mock treatment 0.084 0.072374 0.3772 -0.06 -0.08027 -0.4461 -0.006 -0.02838 -0.1605 -0.1324 -0.2185 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 F24 mock treatment 0.019 0.0073745 0.0384 -0.031 -0.05127 -0.2849 -0.027 -0.04938 -0.2793 -0.3035 -0.7573 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G01 compound treatment -0.049 -0.060626 -0.316 -0.098 -0.11827 -0.6572 -0.051 -0.07338 -0.415 -0.8015 -0.9552 3021681 ChemDiv3_001893 Cn1/c(=N/C(=O)c2cccc(c2)C(F)(F)F)/sc3c1ccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G02 compound treatment 0.052 0.040374 0.2104 -0.128 -0.14827 -0.824 -0.032 -0.05438 -0.3075 -0.5318 -0.588 1418652 ChemDiv3_001894 COc1ccc(OCC(=O)N2c3ccccc3Sc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G03 compound treatment -0.006 -0.017626 -0.0919 0.09 0.06973 0.3875 -0.184 -0.20638 -1.1671 -0.5032 -0.408 1381191 ChemDiv3_001895 Nc1c(C(=O)c2ccccc2)n3ccccc3c1c4nc(cs4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G04 compound treatment 0.054 0.042374 0.2209 0.551 0.53073 2.9494 0.019 -0.0033798 -0.0191 1.8193 0.6151 1522414 ChemDiv3_001896 Cc1ccc(SCc2cc(O)nc(Nc3nc4ccccc4o3)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G05 compound treatment 0.0 -0.011626 -0.0606 -0.037 -0.05727 -0.3183 0.006 -0.01638 -0.0926 -0.2722 -0.8078 1650593 ChemDiv3_001897 CCCCC1CCC(CC1)C(=O)ON2C(=O)c3cccc4cccc(C2=O)c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G06 compound treatment -0.13 -0.14163 -0.7382 -0.103 -0.12327 -0.685 0.144 0.12162 0.6878 -0.4246 -0.3482 1442367 ChemDiv3_001898 S=c1[nH]nc(c2cccnc2)n1C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G07 compound treatment 0.0 -0.011626 -0.0606 -0.25 -0.27027 -1.5019 0.108 0.08562 0.4842 -0.6226 -0.3942 1200273 ChemDiv3_001899 CC1(C)CC(=O)C2=C(C1)Nc3[nH]c(=S)[nH]c(=O)c3C2c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G08 compound treatment 0.044 0.032374 0.1687 -0.364 -0.38427 -2.1355 0.85 0.82762 4.6803 1.5667 0.3044 3020977 ChemDiv3_001900 Clc1ccc(cc1)C(=S)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G09 compound treatment -0.078 -0.089626 -0.4671 0.037 0.01673 0.093 0.124 0.10162 0.5747 0.1158 0.1551 3020978 ChemDiv3_001901 CCCCn1c(nc(=S)c2CCCCc21)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G10 compound treatment -0.012 -0.023626 -0.1231 0.11 0.08973 0.4986 0.032 0.0096202 0.0544 0.2482 0.4806 1183988 ChemDiv3_001902 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G11 compound treatment 0.0 -0.011626 -0.0606 -0.017 -0.03727 -0.2071 -0.28 -0.30238 -1.71 -1.1418 -0.6625 3020979 ChemDiv3_001903 Nc1cc(O)nc(SCC(=O)c2cccs2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G12 compound treatment 0.076 0.064374 0.3355 -0.042 -0.06227 -0.346 -0.092 -0.11438 -0.6468 -0.3795 -0.4705 1644588 ChemDiv3_001904 CCCc1c(O)nc(SCc2ccccc2)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G13 compound treatment -0.011 -0.022626 -0.1179 -0.284 -0.30427 -1.6909 -0.068 -0.09038 -0.5111 -1.3394 -0.7566 3118334 ChemDiv3_001905 C/N=C(\c1ccc(C)cc1)/n2c(=S)nc(c3ccc(C)cc3)n(C)c2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G14 compound treatment 0.017 0.0053745 0.028 -0.184 -0.20427 -1.1352 -0.037 -0.05938 -0.3358 -0.8331 -0.7036 3020980 ChemDiv3_001906 CCC(=O)NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G15 compound treatment 0.016 0.0043745 0.0228 -0.06 -0.08027 -0.4461 -0.452 -0.47438 -2.6827 -1.7932 -0.6594 1404360 ChemDiv3_001907 Cc1sc(NC(=O)C(Cc2ccccc2)Cc3ccccc3)c(C#N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G16 compound treatment -0.011 -0.022626 -0.1179 -0.055 -0.07527 -0.4183 0.052 0.02962 0.1675 -0.2129 -0.457 1312332 ChemDiv3_001908 Cc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G17 compound treatment -0.011 -0.022626 -0.1179 -0.276 -0.29627 -1.6464 -0.096 -0.11838 -0.6695 -1.4052 -0.7889 3118335 ChemDiv3_001909 COc1ccccc1C(=O)N/C(=C\c2ccccc2)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G18 compound treatment -0.123 -0.13463 -0.7017 0.123 0.10273 0.5709 0.073 0.05062 0.2863 0.0898 0.0946 1265569 ChemDiv3_001910 CC1(C)C(C(=O)N2CCN(CC2)c3ccc(Cl)cc3)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G19 compound treatment 0.04 0.028374 0.1479 0.066 0.04573 0.2541 -0.239 -0.26138 -1.4782 -0.6213 -0.4122 1567377 ChemDiv3_001911 COc1ccc(CNC2C3CC4CC(C3)CC2C4)c(OC)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G20 compound treatment -0.073 -0.084626 -0.4411 0.709 0.68873 3.8274 -0.083 -0.10538 -0.5959 1.611 0.4132 1616500 ChemDiv3_001912 CC(C)OC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G21 compound treatment 0.024 0.012374 0.0645 -0.148 -0.16827 -0.9351 -0.124 -0.14638 -0.8278 -0.9806 -0.7841 1342244 ChemDiv3_001913 O=C(CN1C(=O)c2ccccc2C1=O)N3c4ccccc4Sc5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G22 compound treatment -0.023 -0.034626 -0.1805 0.074 0.05373 0.2986 0.077 0.05462 0.3089 0.2465 0.5291 3020981 ChemDiv3_001914 Cc1ccc(cc1)c2nc(no2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G23 mock treatment 0.035 0.023374 0.1218 -0.165 -0.18527 -1.0296 -0.114 -0.13638 -0.7713 -0.9694 -0.7502 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 G24 mock treatment 0.052 0.040374 0.2104 0.086 0.06573 0.3653 0.013 -0.0093798 -0.053 0.3018 0.7102 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H01 compound treatment 0.1 0.088374 0.4606 -0.38 -0.40027 -2.2244 -0.095 -0.11738 -0.6638 -1.4015 -0.5922 1224823 ChemDiv3_001915 CC(Oc1ccc(Cl)c(C)c1)C(=O)Nc2sc3CCCCCCc3c2C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H02 compound treatment 0.0 -0.011626 -0.0606 0.085 0.06473 0.3597 -0.025 -0.04738 -0.2679 0.018 0.0398 1608454 ChemDiv3_001916 O=C1OC(Oc2cccc3cccnc23)(c4ccccc14)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H03 compound treatment -0.006 -0.017626 -0.0919 -0.333 -0.35327 -1.9632 -0.076 -0.09838 -0.5564 -1.5077 -0.7381 3020982 ChemDiv3_001917 CCc1n[nH]c2OC(=C(C#N)C(c12)c3cccc(OC(=O)N4CCOCC4)c3)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H04 compound treatment 0.031 0.019374 0.101 0.545 0.52473 2.916 -0.047 -0.06938 -0.3924 1.5153 0.5147 1208340 ChemDiv3_001918 N(c1ccc2ccccc2c1)c3ncnc4[nH]ncc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H05 compound treatment 0.108 0.096374 0.5023 -0.044 -0.06427 -0.3572 -0.061 -0.08338 -0.4715 -0.1884 -0.2428 3118467 ChemDiv3_001919 Clc1ccccc1OCCNC(=O)CC2c3ccccc3Oc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H06 compound treatment -0.066 -0.077626 -0.4046 -0.063 -0.08327 -0.4627 -0.154 -0.17638 -0.9975 -1.0766 -0.9189 1533326 ChemDiv3_001920 OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H07 compound treatment 0.031 0.019374 0.101 0.0 -0.02027 -0.1126 -0.24 -0.26238 -1.4838 -0.8634 -0.5789 3118468 ChemDiv3_001921 COC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H08 compound treatment -0.126 -0.13763 -0.7173 -0.174 -0.19427 -1.0796 -0.073 -0.09538 -0.5394 -1.3489 -0.9608 3118469 ChemDiv3_001922 CC(C)CCOc1ccc(/C=N/c2nc3ccccc3n2CC=C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H09 compound treatment -0.05 -0.061626 -0.3212 -0.024 -0.04427 -0.246 -0.006 -0.02838 -0.1605 -0.4201 -0.9653 1416640 ChemDiv3_001923 CCOn1c(=O)c(=O)n(OC)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H10 compound treatment -0.011 -0.022626 -0.1179 0.073 0.05273 0.293 0.012 -0.01038 -0.0587 0.0672 0.2092 3020983 ChemDiv3_001924 O=C1C(=CNCCN2CCOCC2)C(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H11 compound treatment -0.053 -0.064626 -0.3368 -0.371 -0.39127 -2.1744 -0.3 -0.32238 -1.8231 -2.5024 -0.8758 3118470 ChemDiv3_001925 C(Nc1ccccc1)C2OCc3ccccc3CO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H12 compound treatment -0.024 -0.035626 -0.1857 -0.146 -0.16627 -0.924 -0.049 -0.07138 -0.4037 -0.8737 -0.8522 1432963 ChemDiv3_001926 COc1ccc(cc1)c2nnc(Nc3ccc(Cl)cc3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H13 compound treatment -0.082 -0.093626 -0.488 0.385 0.36473 2.0269 -0.089 -0.11138 -0.6299 0.5248 0.241 3020985 ChemDiv3_001927 Oc1ccc(/C=N/CC2OCCc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H14 compound treatment -0.122 -0.13363 -0.6965 0.0 -0.02027 -0.1126 0.045 0.02262 0.1279 -0.3933 -0.5485 1651658 ChemDiv3_001928 CS(=O)(=O)N(CC(=O)NCc1ccco1)c2ccccc2Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H15 compound treatment -0.113 -0.12463 -0.6496 -0.012 -0.03227 -0.1793 0.032 0.0096202 0.0544 -0.4472 -0.6614 3020986 ChemDiv3_001929 CC(=O)/N=C(/Nc1cc(C)cc(C)c1)\Nc2nc(C)cc(C)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H16 compound treatment -0.16 -0.17163 -0.8946 -0.431 -0.45127 -2.5078 0.539 0.51662 2.9216 -0.2776 -0.0702 3118471 ChemDiv3_001930 CCOc1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H17 compound treatment 0.101 0.089374 0.4658 0.037 0.01673 0.093 0.086 0.06362 0.3598 0.5304 0.89 1104705 ChemDiv3_001931 OC(=O)c1ccc2[n+]([O-])onc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H18 compound treatment -0.035 -0.046626 -0.243 -0.06 -0.08027 -0.4461 -0.171 -0.19338 -1.0936 -1.0292 -0.8536 1710057 ChemDiv3_001932 COc1ccc(OC)c2-c3nnc(c4ccc(Cl)cc4)n3C(C)(C)Cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H19 compound treatment 0.044 0.032374 0.1687 -0.16 -0.18027 -1.0018 -0.012 -0.03438 -0.1944 -0.5932 -0.5735 1559608 ChemDiv3_001933 CCOC(=O)c1c(C)sc2c3CCCCc3[nH]c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H20 compound treatment 0.153 0.14137 0.7369 -0.323 -0.34327 -1.9076 -0.243 -0.26538 -1.5008 -1.5424 -0.6081 1736634 ChemDiv3_001934 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H21 compound treatment -0.14 -0.15163 -0.7903 0.043 0.02273 0.1263 0.114 0.09162 0.5181 -0.0842 -0.0883 1604867 ChemDiv3_001935 O=c1cc(Nc2ccccc2)cc[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H22 compound treatment 0.059 0.047374 0.2469 0.114 0.09373 0.5209 0.054 0.03162 0.1788 0.5465 0.9055 1199255 ChemDiv3_001936 CC(C)OC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccco3)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H23 mock treatment -0.042 -0.053626 -0.2795 0.077 0.05673 0.3153 0.012 -0.01038 -0.0587 -0.0133 -0.0311 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 H24 mock treatment -0.006 -0.017626 -0.0919 0.049 0.02873 0.1597 0.091 0.06862 0.3881 0.2632 0.6127 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I01 compound treatment 0.035 0.023374 0.1218 -0.049 -0.06927 -0.3849 -0.224 -0.24638 -1.3933 -0.9563 -0.6593 3020987 ChemDiv3_001937 CCN(CC)c1ccc(cc1)C(=O)/N=c/2\sc3c(ccc4ccccc34)n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I02 compound treatment 0.077 0.065374 0.3407 0.06 0.03973 0.2208 -0.258 -0.28038 -1.5856 -0.5912 -0.3612 3118472 ChemDiv3_001938 COc1ccccc1C(=O)/N=C(\N)/Nc2nc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I03 compound treatment -0.079 -0.090626 -0.4724 -0.051 -0.07127 -0.3961 -0.066 -0.08838 -0.4998 -0.7899 -0.9954 1156027 ChemDiv3_001939 CC1CCN(CC(O)COc2ccc(C)cc2C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I04 compound treatment 0.07 0.058374 0.3043 -0.032 -0.05227 -0.2905 -0.037 -0.05938 -0.3358 -0.1859 -0.3454 3020988 ChemDiv3_001940 Cc1ccc(cc1)C(=O)/N=C(\N)/Nc2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I05 compound treatment -0.095 -0.10663 -0.5558 -0.207 -0.22727 -1.263 -0.02 -0.04238 -0.2397 -1.1884 -0.8486 1061384 ChemDiv3_001941 CCOC(=O)c1c2C(=O)c3ccccc3C(=O)c2n4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I06 compound treatment -0.385 -0.39663 -2.0673 0.0 -0.02027 -0.1126 -0.168 -0.19038 -1.0766 -1.8802 -0.8057 1323512 ChemDiv3_001942 O=C(NC(Cc1ccccc1)C(=O)OCc2cnc(o2)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I07 compound treatment -0.019 -0.030626 -0.1596 -0.035 -0.05527 -0.3071 -0.055 -0.07738 -0.4376 -0.5221 -0.9358 3020989 ChemDiv3_001943 CC1(C)C/C(=N\O)/c2c(C1)nc(c3[nH]c4ccccc4c23)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I08 compound treatment 0.048 0.036374 0.1896 -0.259 -0.27927 -1.5519 0.447 0.42462 2.4013 0.5998 0.2093 3020990 ChemDiv3_001944 Oc1ccc(cc1)C(=S)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I09 compound treatment -0.018 -0.029626 -0.1544 -0.096 -0.11627 -0.6461 0.081 0.05862 0.3315 -0.2708 -0.3647 3118473 ChemDiv3_001945 CCN(CC)c1ccc(/C=N/CCc2ccccc2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I10 compound treatment -0.104 -0.11563 -0.6027 -0.041 -0.06127 -0.3405 0.012 -0.01038 -0.0587 -0.5784 -0.8326 1727202 ChemDiv3_001946 CCOC(=O)CSc1nc2CCCCc2cc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I11 compound treatment -0.05 -0.061626 -0.3212 -0.101 -0.12127 -0.6739 -0.096 -0.11838 -0.6695 -0.961 -0.9584 1682537 ChemDiv3_001947 Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3ccc(Cl)cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I12 compound treatment -0.021 -0.032626 -0.1701 -0.026 -0.04627 -0.2571 -0.096 -0.11838 -0.6695 -0.6331 -0.8591 1023355 ChemDiv3_001948 O=C1NC(=S)NC(=O)C1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I13 compound treatment 0.055 0.043374 0.2261 0.127 0.10673 0.5931 -0.192 -0.21438 -1.2124 -0.227 -0.1659 3118474 ChemDiv3_001949 O/N=C(/CC1(O)C(=O)Nc2ccccc21)\c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I14 compound treatment -0.086 -0.097626 -0.5088 -0.051 -0.07127 -0.3961 -0.34 -0.36238 -2.0493 -1.7056 -0.7939 1292612 ChemDiv3_001950 CC(C)(C)NC(=O)CSc1nc2ccccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I15 compound treatment -0.046 -0.057626 -0.3004 0.909 0.88873 4.9388 -0.065 -0.08738 -0.4941 2.3927 0.4812 1268842 ChemDiv3_001951 COc1ccc(CN(CCC(c2ccc3OCOc3c2)c4ccccc4OC)C(=O)c5ccco5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I16 compound treatment 0.038 0.026374 0.1375 -0.164 -0.18427 -1.024 0.012 -0.01038 -0.0587 -0.5457 -0.5274 3021034 ChemDiv3_001952 COC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I17 compound treatment -0.282 -0.29363 -1.5304 -0.019 -0.03927 -0.2182 -0.154 -0.17638 -0.9975 -1.5855 -0.8618 3118475 ChemDiv3_001953 COc1ccccc1C(=O)N/C(=C\c2ccccc2)/C(=O)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I18 compound treatment -0.343 -0.35463 -1.8484 -0.23 -0.25027 -1.3908 -0.211 -0.23338 -1.3198 -2.6321 -0.9883 1441672 ChemDiv3_001954 O=C(NC1CCCCCC1)c2ccc3OCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I19 compound treatment 0.006 -0.0056255 -0.0293 0.029 0.00873 0.0485 0.324 0.30162 1.7057 0.9959 0.5835 1243149 ChemDiv3_001955 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I20 compound treatment -0.03 -0.041626 -0.217 0.411 0.39073 2.1714 1.133 1.1106 5.9048 4.5375 0.7208 3021035 ChemDiv3_001956 Cn1cccc1/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I21 compound treatment 0.144 0.13237 0.69 -0.118 -0.13827 -0.7684 -0.166 -0.18838 -1.0653 -0.6603 -0.4451 3118476 ChemDiv3_001957 FC(F)(F)c1ccc2Sc3ccccc3N(c2c1)S(=O)(=O)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I22 compound treatment -0.039 -0.050626 -0.2639 -0.136 -0.15627 -0.8684 -0.089 -0.11138 -0.6299 -1.0174 -0.9209 1013814 ChemDiv3_001958 O=C(N1CN(CN(C1)C(=O)c2ccccc2)C(=O)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I23 mock treatment 0.158 0.14637 0.7629 0.444 0.42373 2.3547 0.007 -0.01538 -0.087 1.7498 0.7065 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 I24 mock treatment -0.021 -0.032626 -0.1701 0.103 0.08273 0.4597 0.145 0.12262 0.6934 0.5676 0.6684 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J01 compound treatment 0.108 0.096374 0.5023 -0.116 -0.13627 -0.7573 -0.014 -0.03638 -0.2057 -0.266 -0.2855 3021036 ChemDiv3_001959 CCC(C)NC=C1C(=O)NC(=O)NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J02 compound treatment 0.026 0.014374 0.0749 -0.118 -0.13827 -0.7684 0.066 0.04362 0.2467 -0.258 -0.3183 3118477 ChemDiv3_001960 CCOC(=O)C(C1CCCCC1)C(=O)Nc2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J03 compound treatment 0.012 3.7448E-4 0.002 -0.084 -0.10427 -0.5794 0.234 0.21162 1.1968 0.3575 0.2689 3021037 ChemDiv3_001961 COc1ccc(cc1OC)/C(=C/c2ccc3OCOc3c2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J04 compound treatment 0.11 0.098374 0.5128 -0.062 -0.08227 -0.4572 -0.155 -0.17738 -1.0031 -0.5471 -0.45 1193383 ChemDiv3_001962 Cc1cccc(c1)n2ncc3c(Nc4ccc(cc4)c5ccccc5)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J05 compound treatment 0.16 0.14837 0.7734 -0.043 -0.06327 -0.3516 0.118 0.09562 0.5408 0.5557 0.5518 3118478 ChemDiv3_001963 CC1(C)CC(=C(C2C3=C(CC(C)(C)CC3=O)Oc4ccc(Br)cc24)C(=O)C1)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J06 compound treatment 0.156 0.14437 0.7525 0.007 -0.01327 -0.0737 -0.113 -0.13538 -0.7656 -0.0501 -0.0466 1079134 ChemDiv3_001964 OC1(CC(=O)CC2(O)C(=O)Nc3ccccc32)C(=O)Nc4ccccc41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J07 compound treatment 0.037 0.025374 0.1323 -0.136 -0.15627 -0.8684 0.021 -0.0013798 -0.0078 -0.4295 -0.489 3021006 ChemDiv3_001965 COC(=O)CN1C(=O)/C(=C/c2ccc(cc2)N(C)C)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J08 compound treatment -0.006 -0.017626 -0.0919 0.36 0.33973 1.8879 -0.173 -0.19538 -1.1049 0.399 0.1823 3021008 ChemDiv3_001966 COc1ccc(/C=N/c2nc3ccccc3n2C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J09 compound treatment 0.126 0.11437 0.5961 -0.106 -0.12627 -0.7017 -0.152 -0.17438 -0.9861 -0.6303 -0.4672 3118479 ChemDiv3_001967 CC1(C)NC(=[N+]([O-])C1(C)O)C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J10 compound treatment 0.006 -0.0056255 -0.0293 0.053 0.03273 0.1819 -0.084 -0.10638 -0.6016 -0.2592 -0.412 3118608 ChemDiv3_001968 O=C1C(=CNCCc2c[nH]c3ccccc23)C(=O)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J11 compound treatment -0.143 -0.15463 -0.8059 -0.096 -0.11627 -0.6461 -0.082 -0.10438 -0.5903 -1.1792 -0.9911 3021012 ChemDiv3_001969 CCN(CC)c1nc(Cl)nc(n1)N(C)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J12 compound treatment -0.056 -0.067626 -0.3525 -0.042 -0.06227 -0.346 -0.033 -0.05538 -0.3132 -0.5841 -0.9987 1214793 ChemDiv3_001970 Cc1ccccc1Nc2nnc(c3ccc(cc3)C(=O)NCCO)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J13 compound treatment -0.063 -0.074626 -0.389 -0.065 -0.08527 -0.4739 0.119 0.09662 0.5464 -0.1827 -0.2225 1120090 ChemDiv3_001971 CCc1ccc(NC2=CC(=O)CC(C2)c3ccco3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J14 compound treatment -0.026 -0.037626 -0.1961 -0.014 -0.03427 -0.1904 -0.126 -0.14838 -0.8391 -0.7076 -0.8018 1659923 ChemDiv3_001972 O=C(NCc1ccccc1)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J15 compound treatment 0.018 0.0063745 0.0332 -0.158 -0.17827 -0.9907 -0.025 -0.04738 -0.2679 -0.7075 -0.689 1418748 ChemDiv3_001973 CC(=O)NC(c1ccccc1)c2ccc3cccnc3c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J16 compound treatment -0.019 -0.030626 -0.1596 -0.237 -0.25727 -1.4297 -0.185 -0.20738 -1.1728 -1.5947 -0.8592 1553968 ChemDiv3_001974 COc1cc(OC)cc(c1)C(=O)Nc2cccc3nsnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J17 compound treatment 0.127 0.11537 0.6014 -0.04 -0.06027 -0.3349 0.034 0.01162 0.0657 0.1918 0.2773 1597222 ChemDiv3_001975 CN(C)c1ccc(cc1)C(=S)N2CCN(CC2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J18 compound treatment 0.082 0.070374 0.3668 -0.093 -0.11327 -0.6295 -0.1 -0.12238 -0.6921 -0.5512 -0.5485 1631516 ChemDiv3_001976 COC(=O)Cn1c(SCc2ccccc2)nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J19 compound treatment 0.08 0.068374 0.3564 0.273 0.25273 1.4045 -0.318 -0.34038 -1.9249 -0.0947 -0.0393 1261544 ChemDiv3_001977 CCn1c2C(=O)CCCc2c3cc(ccc13)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J20 compound treatment -0.059 -0.070626 -0.3681 -0.099 -0.11927 -0.6628 0.006 -0.01638 -0.0926 -0.6487 -0.8493 1370635 ChemDiv3_001978 O=C(Oc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1)c5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J21 compound treatment 0.062 0.050374 0.2626 -0.019 -0.03927 -0.2182 -0.437 -0.45938 -2.5979 -1.4743 -0.5627 1921265 ChemDiv3_001979 CC(=O)n1c(C)c(c2ccccc2)c3cc(Cl)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J22 compound treatment 0.05 0.038374 0.2 -0.083 -0.10327 -0.5739 -0.013 -0.03538 -0.2001 -0.3314 -0.5179 1050374 ChemDiv3_001980 O=C1NC(=S)NC(=O)C1=Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J23 mock treatment -0.037 -0.048626 -0.2534 0.152 0.13173 0.732 0.013 -0.0093798 -0.053 0.2457 0.3164 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 J24 mock treatment -0.018 -0.029626 -0.1544 0.065 0.04473 0.2486 -0.034 -0.05638 -0.3188 -0.1297 -0.2997 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K01 compound treatment 0.079 0.067374 0.3512 -0.051 -0.07127 -0.3961 -0.227 -0.24938 -1.4103 -0.8401 -0.5577 1285843 ChemDiv3_001981 COC(=O)c1sc2ccccc2c1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K02 compound treatment 0.126 0.11437 0.5961 -0.161 -0.18127 -1.0073 -0.031 -0.05338 -0.3019 -0.4117 -0.3406 1506924 ChemDiv3_001982 COc1ccc(OCC(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K03 compound treatment -0.022 -0.033626 -0.1753 -0.04 -0.06027 -0.3349 -0.114 -0.13638 -0.7713 -0.7398 -0.8614 1117809 ChemDiv3_001983 CC1CCCC(C)N1CC(O)COc2ccc(C)cc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K04 compound treatment 0.011 -6.2552E-4 -0.0033 -0.172 -0.19227 -1.0685 -0.044 -0.06638 -0.3754 -0.8355 -0.7377 3118609 ChemDiv3_001984 COc1ccc(/C=C/C(=O)N2c3ccccc3Sc4ccccc24)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K05 compound treatment 0.048 0.036374 0.1896 -0.038 -0.05827 -0.3238 -0.066 -0.08838 -0.4998 -0.3661 -0.5857 1720319 ChemDiv3_001985 CCOC(=O)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K06 compound treatment 0.012 3.7448E-4 0.002 0.032 0.01173 0.0652 0.786 0.76362 4.3184 2.532 0.5863 1677632 ChemDiv3_001986 O=C(Oc1ccc(cc1)C(=S)N2CCCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K07 compound treatment -0.004 -0.015626 -0.0814 -0.192 -0.21227 -1.1796 -0.025 -0.04738 -0.2679 -0.8828 -0.7281 1191436 ChemDiv3_001987 O=C(CCN1C(=O)c2ccccc2C1=O)N(C3CCCCC3)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K08 compound treatment -0.187 -0.19863 -1.0353 0.012 -0.00827 -0.046 0.161 0.13862 0.7839 -0.1717 -0.1321 3021061 ChemDiv3_001988 O=C(Oc1ccccc1)c2ccc(=O)oc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K09 compound treatment 0.076 0.064374 0.3355 -0.013 -0.03327 -0.1849 -0.053 -0.07538 -0.4263 -0.1591 -0.2777 1177858 ChemDiv3_001989 O=S(=O)(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K10 compound treatment 0.011 -6.2552E-4 -0.0033 -0.049 -0.06927 -0.3849 -0.052 -0.07438 -0.4206 -0.467 -0.819 1319852 ChemDiv3_001990 CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K11 compound treatment 0.006 -0.0056255 -0.0293 -0.132 -0.15227 -0.8462 -0.138 -0.16038 -0.907 -1.0291 -0.8294 1184848 ChemDiv3_001991 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N2CCOCCOCCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K12 compound treatment 0.027 0.015374 0.0801 -0.261 -0.28127 -1.5631 -0.179 -0.20138 -1.1388 -1.5137 -0.782 1733832 ChemDiv3_001992 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc3c(c2)oc4ccccc43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K13 compound treatment 0.109 0.097374 0.5075 -0.323 -0.34327 -1.9076 -0.127 -0.14938 -0.8448 -1.2961 -0.6036 3021100 ChemDiv3_001993 C1CC(SC(C1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K14 compound treatment 0.06 0.048374 0.2521 -0.027 -0.04727 -0.2627 0.216 0.19362 1.095 0.6261 0.5426 3118610 ChemDiv3_001994 Cc1ccccc1N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K15 compound treatment 0.076 0.064374 0.3355 -0.103 -0.12327 -0.685 0.117 0.09462 0.5351 0.1072 0.115 1633163 ChemDiv3_001995 O=C(NN1C(=O)C2C3CC(C=C3)C2C1=O)c4ccncc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K16 compound treatment -0.164 -0.17563 -0.9154 -0.078 -0.09827 -0.5461 0.119 0.09662 0.5464 -0.5283 -0.4411 1547041 ChemDiv3_001996 OC(=O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K17 compound treatment -0.011 -0.022626 -0.1179 0.06 0.03973 0.2208 0.473 0.45062 2.5483 1.5307 0.5978 1254558 ChemDiv3_001997 CCn1c2ccccc2c3cc(CN4CCN(CC4)C(=O)c5c(OC)cccc5OC)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K18 compound treatment 0.099 0.087374 0.4554 0.473 0.45273 2.5159 -0.255 -0.27738 -1.5686 0.8098 0.27 3021103 ChemDiv3_001998 N#Cc1ccc(CSc2nc3ccccc3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K19 compound treatment 0.2 0.18837 0.9819 0.138 0.11773 0.6542 0.0 -0.02238 -0.1266 0.8715 0.7345 1375332 ChemDiv3_001999 COc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K20 compound treatment 0.152 0.14037 0.7317 0.122 0.10173 0.5653 0.927 0.90462 5.1158 3.7024 0.7122 3118611 ChemDiv3_002000 O=C/1NC(=S)N(C(=O)\C1=C\C=C\c2ccco2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K21 compound treatment 0.03 0.018374 0.0958 -0.006 -0.02627 -0.146 -0.158 -0.18038 -1.0201 -0.6179 -0.5971 1417257 ChemDiv3_002001 O=C(CSc1nc2ccccc2s1)n3c4ccccc4c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K22 compound treatment 0.074 0.062374 0.3251 0.018 -0.00227 -0.0126 -0.013 -0.03538 -0.2001 0.0649 0.1699 1162359 ChemDiv3_002002 CC(=O)Nc1cccc(Oc2ccc3C(=O)N(C(=O)c3c2)c4cccc(Cl)c4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K23 mock treatment -0.012 -0.023626 -0.1231 0.054 0.03373 0.1874 0.044 0.02162 0.1223 0.1077 0.4217 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 K24 mock treatment -0.128 -0.13963 -0.7278 0.049 0.02873 0.1597 0.006 -0.01638 -0.0926 -0.3815 -0.5081 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L01 compound treatment 0.021 0.0093745 0.0489 -0.189 -0.20927 -1.1629 0.0 -0.02238 -0.1266 -0.7163 -0.6118 3118612 ChemDiv3_002003 Cc1ccccc1N2C(=O)NC(=O)/C(=C\Nc3nccs3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L02 compound treatment 0.055 0.043374 0.2261 0.068 0.04773 0.2652 0.0 -0.02238 -0.1266 0.2106 0.568 3021107 ChemDiv3_002004 CCOC(=O)C(C1CCCCC1)C(=O)Nc2cccc(c2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L03 compound treatment 0.065 0.053374 0.2782 -0.031 -0.05127 -0.2849 0.085 0.06262 0.3541 0.2006 0.3764 3118613 ChemDiv3_002005 Cc1cc(nc(SCC(=O)NCc2cccc(c2)C(F)(F)F)n1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L04 compound treatment 0.019 0.0073745 0.0384 0.68 0.65973 3.6662 -0.117 -0.13938 -0.7882 1.6838 0.449 1175222 ChemDiv3_002006 C(c1ccccc1)n2ncc3c(Nc4ccc5ccccc5c4)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L05 compound treatment 0.125 0.11337 0.5909 0.185 0.16473 0.9154 0.006 -0.01638 -0.0926 0.8162 0.7464 1331687 ChemDiv3_002007 CC1(C)CC(=O)C2=C(C1)c3c(NC2C4CCC=CC4)ccc5ncccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L06 compound treatment 0.208 0.19637 1.0236 -0.073 -0.09327 -0.5183 -0.048 -0.07038 -0.398 0.0619 0.051 1043898 ChemDiv3_002008 CN(C)Cc1ccc(O)c(CN(C)C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L07 compound treatment -0.201 -0.21263 -1.1083 0.05 0.02973 0.1652 -0.05 -0.07238 -0.4093 -0.7808 -0.6545 3118614 ChemDiv3_002009 COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L08 compound treatment -0.089 -0.10063 -0.5245 -0.281 -0.30127 -1.6742 -0.181 -0.20338 -1.1502 -1.9335 -0.9216 3021145 ChemDiv3_002010 CN(C)c1ccc(/C=N/c2nc3ccccc3n2Cc4ccc(Cl)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L09 compound treatment 0.051 0.039374 0.2052 0.295 0.27473 1.5267 -0.047 -0.06938 -0.3924 0.7734 0.4865 3118615 ChemDiv3_002011 CC12CCCCC2(O)[N+](=C(N1)C(=O)c3ccccc3)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L10 compound treatment 0.065 0.053374 0.2782 0.063 0.04273 0.2375 0.044 0.02162 0.1223 0.3683 0.955 3021148 ChemDiv3_002012 Cc1ccsc1/C=C(\C#N)/S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L11 compound treatment -0.018 -0.029626 -0.1544 -0.189 -0.20927 -1.1629 -0.136 -0.15838 -0.8957 -1.2777 -0.8657 1334871 ChemDiv3_002013 CCOC(=O)CSc1nc(NC#N)nc(n1)N(CC)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L12 compound treatment 0.025 0.013374 0.0697 -0.073 -0.09327 -0.5183 -0.111 -0.13338 -0.7543 -0.6945 -0.7566 1265403 ChemDiv3_002014 COc1ccc(cc1OC)C(=O)c2nc3ccccc3n2C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L13 compound treatment 0.085 0.073374 0.3824 -0.051 -0.07127 -0.3961 0.044 0.02162 0.1223 0.0627 0.1112 1205179 ChemDiv3_002015 O=C1CC(CC(=C1)NCCc2ccccc2)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L14 compound treatment 0.101 0.089374 0.4658 0.108 0.08773 0.4875 0.126 0.10362 0.586 0.8888 0.9948 3021152 ChemDiv3_002016 O=C1OC(OC(=O)C1=C/C=C/c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L15 compound treatment 0.019 0.0073745 0.0384 0.16 0.13973 0.7765 -0.033 -0.05538 -0.3132 0.2897 0.3456 1493360 ChemDiv3_002017 CCC(=O)NC(c1ccco1)c2c(OC(=O)C)ccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L16 compound treatment 0.148 0.13637 0.7108 0.017 -0.00327 -0.0182 -0.201 -0.22338 -1.2633 -0.3294 -0.2273 1179677 ChemDiv3_002018 CC(C)(C)c1ccc(OCC(=O)Nc2cccc3nsnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L17 compound treatment 0.205 0.19337 1.0079 0.116 0.09573 0.532 0.044 0.02162 0.1223 0.9597 0.8372 3118616 ChemDiv3_002019 COc1ccccc1OCCn2cc(/C=C\3/SC(=S)NC3=O)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L18 compound treatment 0.093 0.081374 0.4241 0.082 0.06173 0.343 -0.024 -0.04638 -0.2623 0.2915 0.4816 1728260 ChemDiv3_002020 O=C1c2ccccc2-c3nc(cc4cccc1c34)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L19 compound treatment 0.041 0.029374 0.1531 -0.085 -0.10527 -0.585 0.166 0.14362 0.8122 0.2196 0.2168 1780366 ChemDiv3_002021 CCOC(=O)CCn1cc(F)c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L20 compound treatment -0.111 -0.12263 -0.6392 -0.166 -0.18627 -1.0351 -0.251 -0.27338 -1.546 -1.8592 -0.9451 1567440 ChemDiv3_002022 CCOC(=O)COc1cc2oc(C)c(c3nc4ccccc4s3)c(=O)c2cc1CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L21 compound treatment -0.008 -0.019626 -0.1023 -0.061 -0.08127 -0.4516 0.067 0.04462 0.2523 -0.1741 -0.3302 1579324 ChemDiv3_002023 COC(=O)c1c(N)c(C#N)c2CCCn12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L22 compound treatment 0.061 0.049374 0.2574 0.051 0.03073 0.1708 0.153 0.13062 0.7387 0.6737 0.8414 3118756 ChemDiv3_002024 Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L23 mock treatment 0.006 -0.0056255 -0.0293 -0.012 -0.03227 -0.1793 0.024 0.0016202 0.0092 -0.1152 -0.633 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 L24 mock treatment 0.02 0.0083745 0.0436 -0.116 -0.13627 -0.7573 0.034 0.01162 0.0657 -0.3741 -0.4913 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M01 compound treatment -0.007 -0.018626 -0.0971 -0.014 -0.03427 -0.1904 -0.148 -0.17038 -0.9635 -0.7223 -0.7318 1553903 ChemDiv3_002025 COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc2nc3CCCCc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M02 compound treatment -0.019 -0.030626 -0.1596 -0.057 -0.07727 -0.4294 0.041 0.01862 0.1053 -0.2793 -0.5941 1287477 ChemDiv3_002026 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2c3ccccc3CCc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M03 compound treatment 0.09 0.078374 0.4085 -0.133 -0.15327 -0.8517 -0.107 -0.12938 -0.7317 -0.6783 -0.5677 1572495 ChemDiv3_002027 Cc1cc(OCC(O)CNC(C)(C)C)ccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M04 compound treatment -0.114 -0.12563 -0.6548 -0.204 -0.22427 -1.2463 -0.156 -0.17838 -1.0088 -1.68 -0.97 3021223 ChemDiv3_002028 Cc1ccc(SCc2cc(O)nc(Nc3nc(C)c4ccccc4n3)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M05 compound treatment -0.192 -0.20363 -1.0613 -0.177 -0.19727 -1.0963 0.055 0.03262 0.1845 -1.1392 -0.7412 3118757 ChemDiv3_002029 CCN(CC)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M06 compound treatment 0.062 0.050374 0.2626 -0.146 -0.16627 -0.924 0.443 0.42062 2.3787 0.9915 0.3865 1719295 ChemDiv3_002030 O=C(Oc1ccccc1C(=S)N2CCOCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M07 compound treatment 0.012 3.7448E-4 0.002 0.211 0.19073 1.0599 0.101 0.07862 0.4446 0.8698 0.7567 1588037 ChemDiv3_002031 COc1ccc(cc1)n2c(SCC(=O)c3ccc(Cl)cc3)nc4ccccc4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M08 compound treatment 0.037 0.025374 0.1323 0.461 0.44073 2.4492 0.018 -0.0043798 -0.0248 1.4761 0.6018 1217270 ChemDiv3_002032 CC(=O)Nc1cc2c(ccc3ccccc32)oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M09 compound treatment -0.006 -0.017626 -0.0919 0.049 0.02873 0.1597 -0.104 -0.12638 -0.7147 -0.3735 -0.5061 1402210 ChemDiv3_002033 COc1ccc(cc1)c2cc3ccccc3n2CC(O)CN(CC=C)CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M10 compound treatment -0.109 -0.12063 -0.6287 -0.098 -0.11827 -0.6572 -0.102 -0.12438 -0.7034 -1.1486 -0.9989 1306235 ChemDiv3_002034 CC(=O)Nc1cc2nc(N)sc2cc1NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M11 compound treatment -0.065 -0.076626 -0.3994 5.594 5.5737 9.9568 -0.073 -0.09538 -0.5394 5.2065 0.5217 3118758 ChemDiv3_002035 COc1ccc(/C=N/c2nc3ccccc3n2CCN4CCCCC4)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M12 compound treatment 0.232 0.22037 1.1486 -0.053 -0.07327 -0.4072 -0.155 -0.17738 -1.0031 -0.1511 -0.0957 3021285 ChemDiv3_002036 CCOC(=O)c1sc(c(C#N)c1C)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M13 compound treatment 0.007 -0.0046255 -0.0241 -0.098 -0.11827 -0.6572 -0.022 -0.04438 -0.251 -0.5383 -0.7647 1367535 ChemDiv3_002037 Brc1ccc(cc1)C(=O)NCC2OCCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M14 compound treatment -0.013 -0.024626 -0.1284 -0.052 -0.07227 -0.4016 0.204 0.18162 1.0271 0.287 0.2585 3118759 ChemDiv3_002038 CN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M15 compound treatment -0.028 -0.039626 -0.2065 -0.053 -0.07327 -0.4072 0.255 0.23262 1.3155 0.4052 0.291 1234318 ChemDiv3_002039 CCOC(=O)c1c(NC(=S)NCC=C)sc2CCCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M16 compound treatment 0.077 0.065374 0.3407 -0.054 -0.07427 -0.4127 -0.279 -0.30138 -1.7044 -1.0256 -0.5741 1416446 ChemDiv3_002040 O=C1C2C3CC(C=C3)C2C(=O)N1CN4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M17 compound treatment -0.143 -0.15463 -0.8059 0.025 0.00473 0.0263 -0.188 -0.21038 -1.1897 -1.137 -0.7911 1311577 ChemDiv3_002041 O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M18 compound treatment 0.0 -0.011626 -0.0606 -0.019 -0.03927 -0.2182 -0.067 -0.08938 -0.5055 -0.4528 -0.8175 3118760 ChemDiv3_002042 COC(=O)/C(=C/c1c[nH]c2ccccc12)/NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M19 compound treatment 0.039 0.027374 0.1427 0.27 0.24973 1.3878 0.038 0.01562 0.0883 0.9346 0.6686 1397577 ChemDiv3_002043 Nc1c(nc2ccccn12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M20 compound treatment -0.012 -0.023626 -0.1231 -0.025 -0.04527 -0.2516 0.819 0.79662 4.505 2.3846 0.5283 3021354 ChemDiv3_002044 CCN1C(=O)/C(=C/C=C/c2ccco2)/C(=O)NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M21 compound treatment 0.135 0.12337 0.6431 0.038 0.01773 0.0985 -0.113 -0.13538 -0.7656 -0.0139 -0.0138 1484277 ChemDiv3_002045 O=C(C1CC1)N2c3ccccc3CCc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M22 compound treatment 0.083 0.071374 0.372 -0.074 -0.09427 -0.5239 -0.161 -0.18338 -1.037 -0.6864 -0.5626 3118761 ChemDiv3_002046 Cc1cccc2c1nc3s/c(=C/c4c[nH]nc4c5ccccc5)/c(=O)n32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M23 mock treatment 0.0 -0.011626 -0.0606 -0.021 -0.04127 -0.2293 0.052 0.02962 0.1675 -0.0707 -0.2434 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 M24 mock treatment -0.014 -0.025626 -0.1336 -0.022 -0.04227 -0.2349 -0.037 -0.05938 -0.3358 -0.4066 -0.9434 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N01 compound treatment 0.082 0.070374 0.3668 -0.052 -0.07227 -0.4016 0.055 0.03262 0.1845 0.0864 0.1504 3021358 ChemDiv3_002047 Fc1ccccc1N2C(=O)NC(=O)/C(=C\NCCC3=CCCCC3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N02 compound treatment -0.02 -0.031626 -0.1648 -0.115 -0.13527 -0.7517 0.0 -0.02238 -0.1266 -0.6022 -0.7722 1546469 ChemDiv3_002048 OC(=O)c1ccccc1C(=O)OCCN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N03 compound treatment 0.044 0.032374 0.1687 -0.172 -0.19227 -1.0685 0.012 -0.01038 -0.0587 -0.5534 -0.5108 3021361 ChemDiv3_002049 Cn1cnnc1SCC(=O)NCc2cccc(c2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N04 compound treatment 0.006 -0.0056255 -0.0293 -0.124 -0.14427 -0.8017 0.34 0.31762 1.7962 0.5572 0.2833 1201390 ChemDiv3_002050 CC1C(NC(C(C)C1=O)c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N05 compound treatment 0.106 0.094374 0.4919 0.036 0.01573 0.0874 -0.023 -0.04538 -0.2566 0.1863 0.3317 1193866 ChemDiv3_002051 OC(=O)c1c2CCCCc2nc3ccc(Br)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N06 compound treatment -0.141 -0.15263 -0.7955 -0.047 -0.06727 -0.3738 0.026 0.0036202 0.0205 -0.6633 -0.7544 3118762 ChemDiv3_002052 CC(=O)OC1CCC2C3CCc4cc(OC(=O)C)c(Br)cc4C3CCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N07 compound treatment 0.0 -0.011626 -0.0606 -0.16 -0.18027 -1.0018 -0.047 -0.06938 -0.3924 -0.8399 -0.7794 1701950 ChemDiv3_002053 Fc1ccc(cc1)N2CCN(CC2)C(=O)Cc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N08 compound treatment -0.115 -0.12663 -0.66 -0.108 -0.12827 -0.7128 -0.185 -0.20738 -1.1728 -1.4697 -0.9651 3118763 ChemDiv3_002054 Cn1c(/N=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N09 compound treatment -0.05 -0.061626 -0.3212 -0.049 -0.06927 -0.3849 -0.137 -0.15938 -0.9013 -0.9281 -0.8998 3118764 ChemDiv3_002055 Cc1ccc(cc1)C2OCC3(CO2)COC(OC3)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N10 compound treatment -0.077 -0.088626 -0.4619 -0.061 -0.08127 -0.4516 0.047 0.02462 0.1392 -0.4471 -0.6765 3021365 ChemDiv3_002056 Cc1ccc(cc1)S(=O)(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N11 compound treatment 0.031 0.019374 0.101 -0.449 -0.46927 -2.6078 -0.386 -0.40838 -2.3095 -2.7807 -0.7979 1540197 ChemDiv3_002057 COc1ccc2oc(C)c(C(=O)CSc3ccccc3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N12 compound treatment -0.094 -0.10563 -0.5505 0.12 0.09973 0.5542 -0.02 -0.04238 -0.2397 -0.1363 -0.1667 1543540 ChemDiv3_002058 CCCn1c(nc2ccccc12)C(O)c3ccc(cc3)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N13 compound treatment -0.079 -0.090626 -0.4724 0.014 -0.00627 -0.0348 -0.083 -0.10538 -0.5959 -0.6369 -0.8367 3118765 ChemDiv3_002059 CC(=O)/N=C(\N)/Nc1nc2ccccc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N14 compound treatment -0.02 -0.031626 -0.1648 0.12 0.09973 0.5542 0.064 0.04162 0.2354 0.3607 0.5778 3021368 ChemDiv3_002060 O=C1OC(OC(=O)C1=Cc2cccs2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N15 compound treatment 0.058 0.046374 0.2417 0.136 0.11573 0.6431 0.059 0.03662 0.2071 0.6304 0.8785 1445360 ChemDiv3_002061 CN1c2ccccc2C(C)(C)C31Cc4cc(NS(=O)(=O)c5ccc(Cl)cc5)ccc4O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N16 compound treatment 0.091 0.079374 0.4137 0.093 0.07273 0.4042 -0.011 -0.03338 -0.1888 0.3632 0.597 3021615 ChemDiv3_002062 COc1cc2CC(C)(C)N/C(=N\N)/c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N17 compound treatment 0.025 0.013374 0.0697 0.238 0.21773 1.21 -0.229 -0.25138 -1.4216 -0.0819 -0.0439 3118766 ChemDiv3_002063 COc1ccccc1OCCn2cc(/C=C\3/SC(=S)N(CC=C)C3=O)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N18 compound treatment -0.152 -0.16363 -0.8529 0.12 0.09973 0.5542 -0.212 -0.23438 -1.3255 -0.9377 -0.5612 1141689 ChemDiv3_002064 Nc1ccc2nc(NC(=O)C3(CC4CC5CC(C4)C3)C5)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N19 compound treatment -0.123 -0.13463 -0.7017 0.063 0.04273 0.2375 0.322 0.29962 1.6944 0.7102 0.3841 3021663 ChemDiv3_002065 COc1ccc(/N=C/2\CCCc3ccccc3N2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N20 compound treatment -0.143 -0.15463 -0.8059 -0.099 -0.11927 -0.6628 -0.118 -0.14038 -0.7939 -1.3063 -0.9963 1293367 ChemDiv3_002066 COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N21 compound treatment -0.033 -0.044626 -0.2326 0.059 0.03873 0.2152 -0.159 -0.18138 -1.0257 -0.6022 -0.561 1917815 ChemDiv3_002067 Clc1ccc(CSc2cn3CCCc3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N22 compound treatment 0.034 0.022374 0.1166 -0.093 -0.11327 -0.6295 -0.047 -0.06938 -0.3924 -0.5226 -0.696 3021666 ChemDiv3_002068 CC(C)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N23 mock treatment -0.051 -0.062626 -0.3264 0.064 0.04373 0.243 -0.013 -0.03538 -0.2001 -0.1637 -0.3609 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 N24 mock treatment 0.045 0.033374 0.174 0.065 0.04473 0.2486 0.063 0.04062 0.2297 0.3766 0.9896 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O01 compound treatment 0.13 0.11837 0.617 -0.2 -0.22027 -1.2241 -0.137 -0.15938 -0.9013 -0.8709 -0.5308 3118767 ChemDiv3_002069 COc1cccc2s/c(=N/C(=O)c3ccccc3)/n(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O02 compound treatment -0.062 -0.073626 -0.3838 0.019 -0.00127 -0.0071 -0.02 -0.04238 -0.2397 -0.364 -0.8044 1397032 ChemDiv3_002070 Oc1cc(O)nc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O03 compound treatment 0.083 0.071374 0.372 0.053 0.03273 0.1819 -0.152 -0.17438 -0.9861 -0.2496 -0.2333 3118768 ChemDiv3_002071 COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O04 compound treatment 0.012 3.7448E-4 0.002 0.218 0.19773 1.0988 -0.012 -0.03438 -0.1944 0.5233 0.4689 3021669 ChemDiv3_002072 O=C(/N=c/1\[nH]c(=O)c2ccccc2s1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O05 compound treatment -0.027 -0.038626 -0.2013 -0.237 -0.25727 -1.4297 0.224 0.20162 1.1402 -0.2834 -0.154 3118769 ChemDiv3_002073 CN(C)/C(=N/S(=O)(=O)c1cc(C)ccc1C)/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O06 compound treatment 0.134 0.12237 0.6378 -0.174 -0.19427 -1.0796 0.469 0.44662 2.5257 1.2032 0.4267 3021673 ChemDiv3_002074 COc1ccc(cc1)C(=S)N2CCC(C)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O07 compound treatment 0.702 0.69037 3.5984 -0.086 -0.10627 -0.5906 0.192 0.16962 0.9592 2.2904 0.6074 3118916 ChemDiv3_002075 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCC(CC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O08 compound treatment 0.013 0.0013745 0.0072 1.122 1.1017 5.7845 0.102 0.07962 0.4503 3.6038 0.6211 3118917 ChemDiv3_002076 O=C/1N(C2=C(CCCC2)C(=O)\C1=C\Nc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O09 compound treatment -0.093 -0.10463 -0.5453 -0.019 -0.03927 -0.2182 -0.648 -0.67038 -3.7911 -2.6296 -0.6855 1215882 ChemDiv3_002077 NNC(=O)CCn1c(c(c2ccccc2)c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O10 compound treatment 0.005 -0.0066255 -0.0345 0.146 0.12573 0.6987 -0.077 -0.09938 -0.562 0.059 0.0657 1725909 ChemDiv3_002078 CC(=O)Nc1cc(NC(=O)C)c2nc(N)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O11 compound treatment 0.023 0.011374 0.0593 0.188 0.16773 0.9321 0.064 0.04162 0.2354 0.7083 0.7353 3020973 ChemDiv3_002079 COc1cc(cc(OC)c1OC)C(=O)NN2CCN(C)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O12 compound treatment -0.012 -0.023626 -0.1231 -0.196 -0.21627 -1.2018 -0.094 -0.11638 -0.6581 -1.145 -0.8322 1397238 ChemDiv3_002080 COc1cccc(c1)c2nc([nH]c2c3cccc(OC)c3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O13 compound treatment -0.092 -0.10363 -0.5401 -0.217 -0.23727 -1.3185 0.106 0.08362 0.4729 -0.8001 -0.5329 1464925 ChemDiv3_002081 Cc1ccc(cc1)S(=O)(=O)NCC2OCCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O14 compound treatment -0.018 -0.029626 -0.1544 -0.053 -0.07327 -0.4072 -0.007 -0.02938 -0.1661 -0.4202 -0.9015 1524063 ChemDiv3_002082 CC1(C)CC(=O)C2=C(C1)Oc3ccccc3C2CC(=O)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O15 compound treatment -0.066 -0.077626 -0.4046 0.013 -0.00727 -0.0404 0.115 0.09262 0.5238 0.0455 0.0686 1607555 ChemDiv3_002083 CC(C)Oc1ccc(Cc2c(O)nc(SCc3ccccc3)nc2O)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O16 compound treatment -0.162 -0.17363 -0.905 -0.115 -0.13527 -0.7517 0.369 0.34662 1.9602 0.1752 0.0766 1471552 ChemDiv3_002084 Oc1ccc(NCN2C(=O)C3C4CC(C=C4)C3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O17 compound treatment -0.03 -0.041626 -0.217 -0.038 -0.05827 -0.3238 0.027 0.0046202 0.0261 -0.2971 -0.7606 1326920 ChemDiv3_002085 Brc1ccccc1CN2CCN(CC2)C(=O)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O18 compound treatment -0.1 -0.11163 -0.5818 0.033 0.01273 0.0707 -0.459 -0.48138 -2.7223 -1.8668 -0.6704 3021020 ChemDiv3_002086 Nc1ccc2oc(=O)c(cc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O19 compound treatment -0.024 -0.035626 -0.1857 0.224 0.20373 1.1322 0.106 0.08362 0.4729 0.8195 0.6604 1185960 ChemDiv3_002087 CCCCc1nn2c(=O)cc(O)nc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O20 compound treatment 0.062 0.050374 0.2626 0.065 0.04473 0.2486 -0.094 -0.11638 -0.6581 -0.0849 -0.113 1185069 ChemDiv3_002088 CSc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O21 compound treatment 0.101 0.089374 0.4658 0.09 0.06973 0.3875 -0.013 -0.03538 -0.2001 0.3772 0.5911 3021024 ChemDiv3_002089 COc1ccc2c(C)nc(NC(=N)/N=C(\C)/c3ccccc3C(=O)O)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O22 compound treatment -0.052 -0.063626 -0.3316 -0.019 -0.03927 -0.2182 0.193 0.17062 0.9649 0.2396 0.2297 3442330 ChemDiv3_002090 O=C1C2CC=CCC2C(=O)N1CNc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O23 mock treatment 0.113 0.10137 0.5284 0.0 -0.02027 -0.1126 0.14 0.11762 0.6652 0.6241 0.7283 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 O24 mock treatment -0.078 -0.089626 -0.4671 0.114 0.09373 0.5209 0.125 0.10262 0.5803 0.3661 0.4027 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P01 compound treatment -0.252 -0.26363 -1.3741 -0.034 -0.05427 -0.3016 0.319 0.29662 1.6774 0.001 5.0E-4 3118918 ChemDiv3_002091 CCN(CC)CCN/C=C/1\C(=O)NC(=O)N(C1=O)c2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P02 compound treatment -0.078 -0.089626 -0.4671 0.044 0.02373 0.1319 -0.253 -0.27538 -1.5573 -1.0927 -0.6699 1679160 ChemDiv3_002092 CCOC(=O)C(C1CCCCC1)C(=O)Nc2ccc(cc2)N(CC)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P03 compound treatment -0.095 -0.10663 -0.5558 -0.131 -0.15127 -0.8406 -0.071 -0.09338 -0.5281 -1.1111 -0.9766 3118919 ChemDiv3_002093 Fc1ccc(CN2C(=O)c3cccc4cccc2c34)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P04 compound treatment 0.029 0.017374 0.0906 -0.063 -0.08327 -0.4627 0.247 0.22462 1.2703 0.5185 0.3827 3021032 ChemDiv3_002094 CCN(CC)CCSc1nc2ccccc2c(=S)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P05 compound treatment 0.265 0.25337 1.3206 0.024 0.00373 0.0207 0.013 -0.0093798 -0.053 0.7438 0.5627 3118920 ChemDiv3_002095 Brc1cccc(/C=C/2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P06 compound treatment -0.216 -0.22763 -1.1864 -0.127 -0.14727 -0.8184 -0.157 -0.17938 -1.0144 -1.7432 -0.989 3118921 ChemDiv3_002096 Oc1ccccc1c2nc(no2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P07 compound treatment 0.114 0.10237 0.5336 0.255 0.23473 1.3044 -0.379 -0.40138 -2.2699 -0.2493 -0.0933 1122737 ChemDiv3_002097 C(c1ccccc1)n2c-3c(CCc4nonc43)c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P08 compound treatment 0.061 0.049374 0.2574 -0.211 -0.23127 -1.2852 -0.15 -0.17238 -0.9748 -1.1563 -0.7078 3118922 ChemDiv3_002098 CCOc1ccc2n(C)c(S)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P09 compound treatment 0.018 0.0063745 0.0332 0.0 -0.02027 -0.1126 -0.118 -0.14038 -0.7939 -0.5042 -0.6283 1696348 ChemDiv3_002099 Ic1cn(Cc2ccccc2)c(=O)n(Cc3ccccc3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P10 compound treatment -0.07 -0.081626 -0.4255 -0.108 -0.12827 -0.7128 -0.122 -0.14438 -0.8165 -1.1286 -0.9693 3021064 ChemDiv3_002100 C=CCN1C(=O)/C(=C/2\SC(=NC2=O)N3CCCCC3)/c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P11 compound treatment 0.127 0.11537 0.6014 0.119 0.09873 0.5487 0.115 0.09262 0.5238 0.9664 0.9983 1341945 ChemDiv3_002101 CC(=O)Oc1ccc(cc1)C(=O)N(C(=O)c2ccc(OC(=O)C)cc2)c3cc(C)ccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P12 compound treatment -0.091 -0.10263 -0.5349 -0.102 -0.12227 -0.6795 0.107 0.08462 0.4785 -0.4248 -0.4298 1706099 ChemDiv3_002102 Brc1ccc(CNc2ccc3n(cnc3c2)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P13 compound treatment 0.094 0.082374 0.4294 -0.129 -0.14927 -0.8295 -0.145 -0.16738 -0.9466 -0.7775 -0.5847 3118923 ChemDiv3_002103 Cc1ccc(cc1)C(=O)/N=C(\N)/Nc2nc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P14 compound treatment 0.25 0.23837 1.2425 -0.087 -0.10727 -0.5961 0.061 0.03862 0.2184 0.4993 0.3578 3118924 ChemDiv3_002104 Brc1cccc(c1)c2ccc(C=C3C(=O)OC(OC3=O)c4ccccc4)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P15 compound treatment -0.173 -0.18463 -0.9623 0.013 -0.00727 -0.0404 0.379 0.35662 2.0168 0.5855 0.262 1477399 ChemDiv3_002105 Oc1ccc(NS(=O)(=O)c2ccccc2)cc1Sc3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P16 compound treatment -0.055 -0.066626 -0.3473 -0.04 -0.06027 -0.3349 0.088 0.06562 0.3711 -0.1796 -0.2951 3118925 ChemDiv3_002106 CCOC(=O)/C(=N\O)/C1=NC2(CCCC2)Cc3cc(OC)c(OC)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P17 compound treatment 0.045 0.033374 0.174 -0.051 -0.07127 -0.3961 0.018 -0.0043798 -0.0248 -0.1425 -0.329 3021069 ChemDiv3_002107 Fc1ccccc1CNn2c(nc3ccccc3c2=O)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P18 compound treatment -0.052 -0.063626 -0.3316 0.03 0.00973 0.0541 -0.053 -0.07538 -0.4263 -0.4064 -0.7487 1607792 ChemDiv3_002108 Cc1nc2ccccc2c(=O)n1NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P19 compound treatment -0.056 -0.067626 -0.3525 0.16 0.13973 0.7765 0.045 0.02262 0.1279 0.3187 0.3696 3021070 ChemDiv3_002109 COc1ccc(CC/N=C\2/CCc3ccccc3N2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P20 compound treatment 0.105 0.093374 0.4867 0.121 0.10073 0.5598 -0.025 -0.04738 -0.2679 0.4495 0.5699 1449139 ChemDiv3_002110 CCC1CCCCN1Cc2c(O)ccc3cc(c4nc5ccccc5[nH]4)c(=O)oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P21 compound treatment -0.038 -0.049626 -0.2587 0.026 0.00573 0.0318 -0.006 -0.02838 -0.1605 -0.2236 -0.7306 3118926 ChemDiv3_002111 FC(F)(F)c1cccc(CNC=C2C(=O)CC(CC2=O)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P22 compound treatment -0.013 -0.024626 -0.1284 -0.148 -0.16827 -0.9351 0.197 0.17462 0.9875 -0.0438 -0.0321 1566538 ChemDiv3_002112 Cc1c(C)c2ccccc2n1CC(O)CNC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P23 mock treatment -0.058 -0.069626 -0.3629 -0.012 -0.03227 -0.1793 0.057 0.03462 0.1958 -0.2 -0.4448 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2006 P24 mock treatment 0.0 -0.011626 -0.0606 0.055 0.03473 0.193 -0.081 -0.10338 -0.5846 -0.2611 -0.422 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A01 compound treatment 0.089 0.077374 0.4033 -0.035 -0.05527 -0.3071 0.062 0.03962 0.2241 0.1849 0.3336 3118959 ChemDiv3_003873 COC(=O)C(CC(C)C)N1C=C(C(C(=C1)C(=O)OC)c2ccc(Br)cc2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A02 compound treatment 0.025 0.013374 0.0697 0.013 -0.00727 -0.0404 0.058 0.03562 0.2014 0.1332 0.6141 3023755 ChemDiv3_003874 CN(C)c1ccc(cc1)n2cccc2C=C3C(=O)N(C)C(=S)N(C)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A03 compound treatment -0.02 -0.031626 -0.1648 -0.059 -0.07927 -0.4405 -0.007 -0.02938 -0.1661 -0.4454 -0.8929 1344150 ChemDiv3_003875 CSc1nnc-2c(OC(C)Nc3ccccc32)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A04 compound treatment 0.017 0.0053745 0.028 0.223 0.20273 1.1266 -0.2 -0.22238 -1.2576 -0.0595 -0.0352 3118960 ChemDiv3_003876 O=C(CSc1nnc(COc2ccccc2)o1)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A05 compound treatment 0.0 -0.011626 -0.0606 -0.259 -0.27927 -1.5519 1.168 1.1456 5.9967 2.5312 0.4086 3023867 ChemDiv3_003877 CCc1ccc2NC(=O)/C(=C/3\SC(=N)NC3=O)/c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A06 compound treatment -0.006 -0.017626 -0.0919 -0.006 -0.02627 -0.146 -0.175 -0.19738 -1.1162 -0.7818 -0.6922 1867181 ChemDiv3_003878 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CNC(C)(C)C)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A07 compound treatment -0.052 -0.063626 -0.3316 0.0 -0.02027 -0.1126 0.013 -0.0093798 -0.053 -0.2871 -0.8106 3118961 ChemDiv3_003879 CCc1ccc(/C=N/n2c(C)nnc2n3nc(C)cc3C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A08 compound treatment -0.006 -0.017626 -0.0919 0.938 0.91773 5.1 0.026 0.0036202 0.0205 2.9033 0.5692 1292139 ChemDiv3_003880 O=C(N1c2ccccc2Sc3ccccc13)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A09 compound treatment 0.08 0.068374 0.3564 0.181 0.16073 0.8932 0.04 0.01762 0.0996 0.779 0.8057 3119097 ChemDiv3_003881 CN1C(=O)/C(=C/2\S\C(=N/c3ccc(F)cc3)\NC2=O)/c4cc(Br)cc(C)c14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A10 compound treatment 0.006 -0.0056255 -0.0293 -0.006 -0.02627 -0.146 0.481 0.45862 2.5936 1.3962 0.5374 3023868 ChemDiv3_003882 CCCn1c(C)cc(C)c(C#N)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A11 compound treatment 0.006 -0.0056255 -0.0293 -0.034 -0.05427 -0.3016 -0.007 -0.02938 -0.1661 -0.287 -0.8304 3023869 ChemDiv3_003883 CC(Cc1ccccc1)[n+]2[cH-]/c(=N\C(=O)N)/on2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A12 compound treatment 0.093 0.081374 0.4241 -0.059 -0.07927 -0.4405 -0.168 -0.19038 -1.0766 -0.631 -0.5097 1249817 ChemDiv3_003884 COc1cccc(CN2CCN(CC2)C(=O)c3cccs3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A13 compound treatment 0.0 -0.011626 -0.0606 0.107 0.08673 0.482 0.023 6.2023E-4 0.0035 0.2453 0.505 3119098 ChemDiv3_003885 Cc1ccc(Nc2nnc(c3ccc(C)c(c3)S(=O)(=O)NCC4CCCO4)c5ccccc25)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A14 compound treatment 0.013 0.0013745 0.0072 0.051 0.03073 0.1708 -0.243 -0.26538 -1.5008 -0.7637 -0.5056 3023870 ChemDiv3_003886 C(Cc1c[nH]c2ccccc12)NCc3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A15 compound treatment 0.02 0.0083745 0.0436 0.057 0.03673 0.2041 -0.069 -0.09138 -0.5168 -0.1553 -0.2787 1549146 ChemDiv3_003887 Clc1ccc(SCC(=O)Nc2ccc(cc2)c3nc4ncccc4o3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A16 compound treatment 0.131 0.11937 0.6222 -0.052 -0.07227 -0.4016 -0.176 -0.19838 -1.1219 -0.5204 -0.3871 3023871 ChemDiv3_003888 CCCN(CCC)C1=C(N(CC(=O)N)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A17 compound treatment -0.025 -0.036626 -0.1909 1.022 1.0017 5.5086 -0.451 -0.47338 -2.677 1.5246 0.2488 1118860 ChemDiv3_003889 CCN(CC)CCC(=O)N1N=C(CC1c2ccc(OC)cc2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A18 compound treatment -0.024 -0.035626 -0.1857 -0.027 -0.04727 -0.2627 0.006 -0.01638 -0.0926 -0.3124 -0.9331 1173412 ChemDiv3_003890 Cc1cc(C)cc(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A19 compound treatment 0.149 0.13737 0.716 0.156 0.13573 0.7543 0.104 0.08162 0.4616 1.1154 0.9803 1387978 ChemDiv3_003891 CN(C)C1CS(=O)(=O)CC1N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A20 compound treatment -0.038 -0.049626 -0.2587 0.208 0.18773 1.0432 -0.159 -0.18138 -1.0257 -0.1392 -0.0937 1867723 ChemDiv3_003892 COc1ccccc1COc2ccc3c4CCCCCc4c(=O)oc3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A21 compound treatment 0.089 0.077374 0.4033 -0.042 -0.06227 -0.346 0.058 0.03562 0.2014 0.1494 0.2628 1361724 ChemDiv3_003893 O=C(NCc1ccccc1)NC2CCS(=O)(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A22 compound treatment -0.033 -0.044626 -0.2326 0.054 0.03373 0.1874 0.053 0.03062 0.1732 0.0739 0.214 1233165 ChemDiv3_003894 Cc1oc(cc1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A23 mock treatment 0.106 0.094374 0.4919 0.071 0.05073 0.2819 0.077 0.05462 0.3089 0.6251 0.9682 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 A24 mock treatment -0.015 -0.026626 -0.1388 0.093 0.07273 0.4042 0.174 0.15162 0.8574 0.6483 0.6767 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B01 compound treatment 0.028 0.016374 0.0853 0.086 0.06573 0.3653 0.0 -0.02238 -0.1266 0.1871 0.4726 3119099 ChemDiv3_003895 CN(/N=C/c1ccccc1)C2=NS(=O)(=O)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B02 compound treatment 0.109 0.097374 0.5075 0.026 0.00573 0.0318 -0.1 -0.12238 -0.6921 -0.0882 -0.1027 3119100 ChemDiv3_003896 COC(=O)C1=C(C)N/C(=C/c2cc(C)n(c2C)c3ccc(OC)c(Cl)c3)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B03 compound treatment 0.039 0.027374 0.1427 -0.056 -0.07627 -0.4238 -0.014 -0.03638 -0.2057 -0.2811 -0.571 3023872 ChemDiv3_003897 COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B04 compound treatment 0.037 0.025374 0.1323 0.055 0.03473 0.193 -0.071 -0.09338 -0.5281 -0.1171 -0.2027 3023873 ChemDiv3_003898 Cc1ccc(cc1)c2c[n+]([O-])c3CCCc3[n+]2[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B05 compound treatment 0.093 0.081374 0.4241 0.06 0.03973 0.2208 -0.156 -0.17838 -1.0088 -0.2101 -0.1882 3119101 ChemDiv3_003899 O=c1[nH]c2ccccc2n1CCCSc3nc4ccccc4[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B06 compound treatment 0.114 0.10237 0.5336 -0.063 -0.08327 -0.4627 0.139 0.11662 0.6595 0.4217 0.4364 1401658 ChemDiv3_003900 CCOC(=O)c1c(oc2ccc(OCC(=O)OC)cc12)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B07 compound treatment 0.026 0.014374 0.0749 0.145 0.12473 0.6931 -0.025 -0.04738 -0.2679 0.2887 0.3866 1210771 ChemDiv3_003901 CC(C)Cn1c(=O)c2cc3c(=O)n(CC(C)C)c(=O)c3c(C(=O)c4ccc(Cl)cc4)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B08 compound treatment -0.023 -0.034626 -0.1805 -0.03 -0.05027 -0.2794 -0.089 -0.11138 -0.6299 -0.6291 -0.8833 1511593 ChemDiv3_003902 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B09 compound treatment 0.066 0.054374 0.2834 0.149 0.12873 0.7154 0.048 0.02562 0.1449 0.6603 0.8433 1487762 ChemDiv3_003903 O=S(=O)(NCCC1(CC2CC3CC(C2)C1)C3)c4cccc5nsnc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B10 compound treatment 0.058 0.046374 0.2417 0.069 0.04873 0.2708 0.186 0.16362 0.9253 0.8301 0.8352 3023874 ChemDiv3_003904 COc1cc(/C=C\2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc4ccc(C)c(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B11 compound treatment 0.019 0.0073745 0.0384 -0.012 -0.03227 -0.1793 -0.059 -0.08138 -0.4602 -0.3471 -0.7005 3119102 ChemDiv3_003905 CN(C)/C=N/c1c(C#N)cnn1c2ncnc3sc4CCCc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B12 compound treatment -0.019 -0.030626 -0.1596 0.103 0.08273 0.4597 0.05 0.02762 0.1562 0.2635 0.5154 3023875 ChemDiv3_003906 COc1ccc2N3C(=NC(=O)C(Cc4ccccc4)C3=O)Sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B13 compound treatment 0.022 0.010374 0.0541 -0.064 -0.08427 -0.4683 0.041 0.01862 0.1053 -0.1784 -0.3692 1072961 ChemDiv3_003907 O=c1n(Cc2ccccc2)nc(c3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B14 compound treatment 0.209 0.19737 1.0288 -0.153 -0.17327 -0.9629 0.086 0.06362 0.3598 0.2458 0.169 1739914 ChemDiv3_003908 Clc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B15 compound treatment 0.17 0.15837 0.8255 -0.126 -0.14627 -0.8128 0.529 0.50662 2.865 1.6614 0.5376 3023876 ChemDiv3_003909 C(Sc1nc2ccccc2[nH]1)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B16 compound treatment 0.083 0.071374 0.372 0.006 -0.01427 -0.0793 0.137 0.11462 0.6482 0.5432 0.7228 1325550 ChemDiv3_003910 NC1=C(C#N)C(c2sc3ccccc3c2O1)c4ccccc4OC(=O)c5ccccc5Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B17 compound treatment 0.049 0.037374 0.1948 0.315 0.29473 1.6379 -0.088 -0.11038 -0.6242 0.6977 0.3956 3023877 ChemDiv3_003911 CC(C)OC(=O)C1=c2s/c(=C\c3cccnc3)/c(=O)n2C(=C(C#N)C1c4cccnc4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B18 compound treatment 0.173 0.16137 0.8411 0.096 0.07573 0.4208 0.033 0.01062 0.0601 0.7633 0.8099 3119103 ChemDiv3_003912 COc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B19 compound treatment 0.132 0.12037 0.6274 0.052 0.03173 0.1763 0.004 -0.01838 -0.1039 0.404 0.6122 1408601 ChemDiv3_003913 COc1ccc(CCNc2ncnc3sc4CCCCc4c23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B20 compound treatment -0.036 -0.047626 -0.2482 -0.019 -0.03927 -0.2182 0.057 0.03462 0.1958 -0.1563 -0.4068 3023878 ChemDiv3_003914 N=C1NC(=O)/C(=C\c2cc3ccccc3nc2N4CCCCC4)/S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B21 compound treatment 0.087 0.075374 0.3929 0.134 0.11373 0.632 0.079 0.05662 0.3202 0.7766 0.9586 1543973 ChemDiv3_003915 COc1ccc2CNCCc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B22 compound treatment 0.075 0.063374 0.3303 0.094 0.07373 0.4097 -0.122 -0.14438 -0.8165 -0.0441 -0.0454 3119104 ChemDiv3_003916 CC1CCN(CN2CC(COc3ccccc3C)OC2=O)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B23 mock treatment -0.013 -0.024626 -0.1284 0.144 0.12373 0.6876 0.037 0.01462 0.0827 0.3706 0.5262 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 B24 mock treatment 0.106 0.094374 0.4919 -0.031 -0.05127 -0.2849 -0.007 -0.02938 -0.1661 0.0236 0.0398 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C01 compound treatment 0.039 0.027374 0.1427 -0.269 -0.28927 -1.6075 -0.225 -0.24738 -1.399 -1.6534 -0.7741 3119105 ChemDiv3_003917 COC(=O)C1=CN(C=C(C1c2ccsc2)C(=O)OC)c3cccc(c3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C02 compound treatment -0.09 -0.10163 -0.5297 0.11 0.08973 0.4986 0.035 0.01262 0.0714 0.0233 0.0318 3023910 ChemDiv3_003918 Cn1c(=O)n(C)c2cc(/C=C/3\C(=O)NC(=S)N(CC=C)C3=O)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C03 compound treatment 0.116 0.10437 0.544 0.194 0.17373 0.9654 -0.093 -0.11538 -0.6525 0.4948 0.3847 3119106 ChemDiv3_003919 CSC1=N/C(=C\c2ccccc2C)/C(=O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C04 compound treatment -0.101 -0.11263 -0.587 0.229 0.20873 1.1599 0.307 0.28462 1.6096 1.2601 0.609 3119107 ChemDiv3_003920 COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C05 compound treatment 0.0 -0.011626 -0.0606 -0.071 -0.09127 -0.5072 -0.046 -0.06838 -0.3867 -0.5511 -0.8602 3023911 ChemDiv3_003921 C=CCN1C(=O)/C(=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)/c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C06 compound treatment 0.006 -0.0056255 -0.0293 -0.309 -0.32927 -1.8298 0.084 0.06162 0.3485 -0.8722 -0.4682 1871099 ChemDiv3_003922 Cc1cccc(c1)N2C(=O)CC(Sc3nccc(C)n3)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C07 compound treatment 0.018 0.0063745 0.0332 0.16 0.13973 0.7765 0.14 0.11762 0.6652 0.8515 0.8324 3023912 ChemDiv3_003923 CSC1=N/C(=C\C=C\c2cccs2)/C(=O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C08 compound treatment 0.006 -0.0056255 -0.0293 -0.139 -0.15927 -0.8851 0.046 0.02362 0.1336 -0.4508 -0.5034 1871152 ChemDiv3_003924 O=C(Cc1cccs1)N2c3ccccc3Sc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C09 compound treatment -0.012 -0.023626 -0.1231 0.196 0.17573 0.9766 0.044 0.02162 0.1223 0.5633 0.5679 3023913 ChemDiv3_003925 CCSC1=N/C(=C\c2ccc(C)s2)/C(=O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C10 compound treatment -0.018 -0.029626 -0.1544 0.037 0.01673 0.093 -0.174 -0.19638 -1.1106 -0.6767 -0.6014 3119108 ChemDiv3_003926 CCCN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C11 compound treatment -0.006 -0.017626 -0.0919 -0.071 -0.09127 -0.5072 -0.145 -0.16738 -0.9466 -0.8924 -0.8279 3023914 ChemDiv3_003927 N=c1[cH-][n+](CCc2ccccc2)no1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C12 compound treatment 0.116 0.10437 0.544 -0.169 -0.18927 -1.0518 -0.066 -0.08838 -0.4998 -0.5817 -0.4526 1216628 ChemDiv3_003928 CCOc1cc(CN2CCN(CC2)C(=O)COc3ccc(C)cc3)ccc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C13 compound treatment 0.131 0.11937 0.6222 0.123 0.10273 0.5709 -0.11 -0.13238 -0.7486 0.2566 0.2274 3023915 ChemDiv3_003929 COc1ccc(cc1)c2nnc(Nc3cccc(c3)C(F)(F)F)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C14 compound treatment 0.105 0.093374 0.4867 -0.05 -0.07027 -0.3905 -0.056 -0.07838 -0.4433 -0.2004 -0.2618 3119109 ChemDiv3_003930 COc1cccc(CNCCc2c[nH]c3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C15 compound treatment 0.097 0.085374 0.445 0.217 0.19673 1.0933 -0.067 -0.08938 -0.5055 0.5963 0.4644 1485768 ChemDiv3_003931 CCC(=O)NC(c1ccco1)c2cc(Cl)c3cccnc3c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C16 compound treatment 0.105 0.093374 0.4867 0.204 0.18373 1.021 0.227 0.20462 1.1572 1.5386 0.9508 1522564 ChemDiv3_003932 Cc1nc(NCCN2CCOCC2)c3sc4nc5CC(C)(C)OCc5cc4c3n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C17 compound treatment 0.137 0.12537 0.6535 -0.065 -0.08527 -0.4739 -0.123 -0.14538 -0.8221 -0.371 -0.322 3119239 ChemDiv3_003933 COc1ccc(cc1)C2CC(=NN2C(=O)CCN3CCOCC3)c4ccc(Br)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C18 compound treatment 0.0 -0.011626 -0.0606 0.089 0.06873 0.3819 0.297 0.27462 1.553 1.0822 0.6762 1139781 ChemDiv3_003934 CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C19 compound treatment 0.073 0.061374 0.3199 0.041 0.02073 0.1152 0.046 0.02362 0.1336 0.3283 0.8988 1505314 ChemDiv3_003935 O=S1(=O)CCC(C1)N2C(=S)SC3CS(=O)(=O)C=C32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C20 compound treatment 0.073 0.061374 0.3199 0.007 -0.01327 -0.0737 -0.068 -0.09038 -0.5111 -0.153 -0.2518 1867708 ChemDiv3_003936 COc1cc(COc2ccc3c4CCCc4c(=O)oc3c2)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C21 compound treatment 0.057 0.045374 0.2365 -0.153 -0.17327 -0.9629 -0.259 -0.28138 -1.5913 -1.3381 -0.7137 1172275 ChemDiv3_003937 CC1(CCS(=O)(=O)C1)NC(=S)Nc2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C22 compound treatment -0.012 -0.023626 -0.1231 -0.106 -0.12627 -0.7017 0.013 -0.0093798 -0.053 -0.5068 -0.7095 1132860 ChemDiv3_003938 CN(C)C(=O)COc1cc2oc(=O)c3CCCc3c2cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C23 mock treatment 0.061 0.049374 0.2574 0.083 0.06273 0.3486 -0.049 -0.07138 -0.4037 0.1168 0.1972 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 C24 mock treatment 0.0 -0.011626 -0.0606 0.155 0.13473 0.7487 0.121 0.09862 0.5577 0.7193 0.7688 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D01 compound treatment -0.051 -0.062626 -0.3264 0.207 0.18673 1.0377 -0.051 -0.07338 -0.415 0.1711 0.1469 3023916 ChemDiv3_003939 O=S1(=O)N=C(N(CCC#N)/N=C/c2ccccc2)c3ccccc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D02 compound treatment 0.067 0.055374 0.2886 -0.091 -0.11127 -0.6183 -0.02 -0.04238 -0.2397 -0.3287 -0.4545 3119240 ChemDiv3_003940 COC(=O)C/1=C(C)NC(=O)\C1=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D03 compound treatment -0.006 -0.017626 -0.0919 -0.103 -0.12327 -0.685 -0.021 -0.04338 -0.2453 -0.5902 -0.8047 3023917 ChemDiv3_003941 CCC(C)N1C(=O)S/C(=C/c2ccc3n(C)c(=O)n(C)c3c2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D04 compound treatment 8.816 8.8044 10.107 0.14 0.11973 0.6654 0.006 -0.01638 -0.0926 6.166 0.6087 3119241 ChemDiv3_003942 [O-][n+]1cc(c2ccc(F)cc2)[n+]([O-])c3CCCc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D05 compound treatment 0.057 0.045374 0.2365 -0.111 -0.13127 -0.7295 -0.016 -0.03838 -0.217 -0.4099 -0.5144 3119242 ChemDiv3_003943 CCC(Sc1nnnn1c2ccccc2)C(=O)Nc3sc4CCCCc4c3C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D06 compound treatment 0.104 0.092374 0.4815 -0.219 -0.23927 -1.3297 -0.28 -0.30238 -1.71 -1.477 -0.6656 3023918 ChemDiv3_003944 CCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D07 compound treatment -0.03 -0.041626 -0.217 -0.213 -0.23327 -1.2963 0.49 0.46762 2.6445 0.6531 0.2212 3119243 ChemDiv3_003945 COc1ccccc1CC(=O)Nc2ccc(cc2)c3nc4ccccc4[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D08 compound treatment 0.045 0.033374 0.174 0.418 0.39773 2.2103 0.077 0.05462 0.3089 1.5549 0.6946 3023919 ChemDiv3_003946 OC(Cn1c2ccccc2c3ccccc13)C[n+]4cccc5cccc(O)c45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D09 compound treatment 0.105 0.093374 0.4867 0.057 0.03673 0.2041 -0.019 -0.04138 -0.234 0.2637 0.4568 3119244 ChemDiv3_003947 Nc1nc(SCC(=O)NCc2ccco2)c(C#N)cc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D10 compound treatment -0.073 -0.084626 -0.4411 -0.068 -0.08827 -0.4905 -0.012 -0.03438 -0.1944 -0.6501 -0.9453 3119245 ChemDiv3_003948 COc1ccccc1N(C(=O)NCc2ccccc2)C3=NCC(C)S3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D11 compound treatment 0.03 0.018374 0.0958 -0.065 -0.08527 -0.4739 -0.033 -0.05538 -0.3132 -0.3991 -0.6929 1494926 ChemDiv3_003949 Cc1ccc(cc1)c2nnc(n3cnc4cc(C)c(C)cc34)c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D12 compound treatment 0.078 0.066374 0.346 -0.424 -0.44427 -2.4689 -0.241 -0.26338 -1.4895 -2.0856 -0.7182 1647264 ChemDiv3_003950 CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c4CC(C)(C)OCc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D13 compound treatment -0.019 -0.030626 -0.1596 -0.064 -0.08427 -0.4683 0.07 0.04762 0.2693 -0.2071 -0.3676 1516394 ChemDiv3_003951 Cc1nc(Oc2ccc(NC(=O)c3ccccc3)cc2)c4c5CCCc5sc4n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D14 compound treatment 0.078 0.066374 0.346 -0.021 -0.04127 -0.2293 0.044 0.02162 0.1223 0.1379 0.3187 1736266 ChemDiv3_003952 CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(C)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D15 compound treatment -0.044 -0.055626 -0.2899 -0.066 -0.08627 -0.4794 -0.053 -0.07538 -0.4263 -0.6903 -0.9805 1623664 ChemDiv3_003953 C(N1CCc2ccccc2C1)n3cnc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D16 compound treatment 0.036 0.024374 0.127 -0.093 -0.11327 -0.6295 -0.081 -0.10338 -0.5846 -0.6276 -0.7227 1684726 ChemDiv3_003954 COc1ccccc1NC(=O)COc2ccc3oc4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D17 compound treatment -0.055 -0.066626 -0.3473 -0.22 -0.24027 -1.3352 -0.075 -0.09738 -0.5507 -1.2893 -0.868 1574911 ChemDiv3_003955 NC1=C(C#N)C2(C(=O)N(CC=C)c3ccccc32)c4c(O1)c5ccccc5oc4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D18 compound treatment 0.181 0.16937 0.8828 -0.148 -0.16827 -0.9351 -0.179 -0.20138 -1.1388 -0.6877 -0.4003 1249386 ChemDiv3_003956 O=C1CC(Cc2ccccc2)C(=O)N1c3nccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D19 compound treatment -0.006 -0.017626 -0.0919 0.288 0.26773 1.4878 0.322 0.29962 1.6944 1.7842 0.7906 1153670 ChemDiv3_003957 Cc1sc2nc3c4ccccc4c(NCC5CCCO5)nn3c(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D20 compound treatment -0.047 -0.058626 -0.3056 0.11 0.08973 0.4986 0.185 0.16262 0.9196 0.6424 0.5895 3119246 ChemDiv3_003958 CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2Sc4ccccc4)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D21 compound treatment 0.062 0.050374 0.2626 -0.013 -0.03327 -0.1849 -0.083 -0.10538 -0.5959 -0.2992 -0.442 1736305 ChemDiv3_003959 CC(C)COc1ccc2c3CCCCc3c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D22 compound treatment 0.612 0.60037 3.1293 -0.295 -0.31527 -1.752 -0.312 -0.33438 -1.891 -0.2966 -0.0732 3023957 ChemDiv3_003960 CC1CCN(CN2CC(Cn3c4ccccc4c5ccccc35)OC2=O)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D23 mock treatment 0.038 0.026374 0.1375 0.065 0.04473 0.2486 0.0 -0.02238 -0.1266 0.1498 0.4817 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 D24 mock treatment 0.055 0.043374 0.2261 0.048 0.02773 0.1541 -0.045 -0.06738 -0.381 -5.0E-4 -0.0011 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E01 compound treatment 0.136 0.12437 0.6483 0.081 0.06073 0.3375 -0.06 -0.08238 -0.4659 0.3002 0.3463 3119247 ChemDiv3_003961 COC(=O)CN1C=C(C(C(=C1)C(=O)OC)c2ccc(O)cc2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E02 compound treatment -0.063 -0.074626 -0.389 -0.076 -0.09627 -0.535 0.897 0.87462 4.9461 2.3222 0.4654 3119248 ChemDiv3_003962 CCC(C)n1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E03 compound treatment 0.178 0.16637 0.8672 -0.205 -0.22527 -1.2519 -0.112 -0.13438 -0.7599 -0.6608 -0.3883 3023958 ChemDiv3_003963 O=C/1N=C(S\C1=C/c2cccs2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E04 compound treatment 0.15 0.13837 0.7212 0.144 0.12373 0.6876 -0.025 -0.04738 -0.2679 0.6587 0.6383 3023959 ChemDiv3_003964 O=C(CSc1nnc(COc2ccccc2)o1)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E05 compound treatment 0.019 0.0073745 0.0384 -0.289 -0.30927 -1.7187 0.053 0.03062 0.1732 -0.8701 -0.5036 3119249 ChemDiv3_003965 CN/1C(=N)NC(=O)\C1=C\c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E06 compound treatment 0.06 0.048374 0.2521 0.017 -0.00327 -0.0182 -0.111 -0.13338 -0.7543 -0.3004 -0.3776 1871115 ChemDiv3_003966 CC(C)(CO)NC(=O)c1sc2ccccc2c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E07 compound treatment -0.028 -0.039626 -0.2065 0.026 0.00573 0.0318 13.386 13.364 11.5675 6.5776 0.5685 3023960 ChemDiv3_003967 C(Sc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccco4)n1)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E08 compound treatment 0.159 0.14737 0.7682 -0.154 -0.17427 -0.9684 0.007 -0.01538 -0.087 -0.1659 -0.1338 3119250 ChemDiv3_003968 Cc1ccc(SCc2cc(O)nc(SCC(=O)n3c4ccccc4c5ccccc35)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E09 compound treatment 0.058 0.046374 0.2417 0.255 0.23473 1.3044 -0.152 -0.17438 -0.9861 0.3233 0.1956 3023961 ChemDiv3_003969 CCSC1=N/C(=C\c2cccc(F)c2)/C(=O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E10 compound treatment -0.1 -0.11163 -0.5818 0.105 0.08473 0.4709 0.013 -0.0093798 -0.053 -0.0947 -0.1262 1156555 ChemDiv3_003970 CC1CCN(CC1)C(=O)CNS(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E11 compound treatment 0.103 0.091374 0.4763 -0.053 -0.07327 -0.4072 -0.11 -0.13238 -0.7486 -0.3923 -0.4019 1664682 ChemDiv3_003971 Cc1n[nH]c(C)c1N2C(=O)c3cccc4c(N)ccc(C2=O)c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E12 compound treatment 0.102 0.090374 0.4711 -0.167 -0.18727 -1.0407 0.015 -0.0073798 -0.0417 -0.353 -0.3088 1473240 ChemDiv3_003972 O=C(N1CCN(Cc2cccnc2)CC1)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E13 compound treatment 0.072 0.060374 0.3147 0.007 -0.01327 -0.0737 -0.036 -0.05838 -0.3301 -0.0515 -0.1115 3119251 ChemDiv3_003973 CNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc4OCOc4c3)c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E14 compound treatment 0.0 -0.011626 -0.0606 -0.118 -0.13827 -0.7684 -0.061 -0.08338 -0.4715 -0.7509 -0.831 1668191 ChemDiv3_003974 CCOc1ccc(CN(CCc2ccc3OCOc3c2)Cc4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E15 compound treatment 0.013 0.0013745 0.0072 0.135 0.11473 0.6376 0.046 0.02362 0.1336 0.4494 0.6898 1243341 ChemDiv3_003975 COc1ccc2cc(C3CC(=NN3C(=O)c4ccco4)c5ccc(OC)c(OC)c5)c(Cl)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E16 compound treatment 0.031 0.019374 0.101 0.122 0.10173 0.5653 -0.069 -0.09138 -0.5168 0.0863 0.1118 3023962 ChemDiv3_003976 Fc1ccc(Nc2nc3ccccc3nc2Nc4ccc(F)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E17 compound treatment -0.075 -0.086626 -0.4515 0.034 0.01373 0.0763 0.136 0.11362 0.6425 0.1543 0.1956 1173393 ChemDiv3_003977 CC(C)N(C(=O)Cn1c2ccccc2c3nc4ccccc4nc13)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E18 compound treatment 0.089 0.077374 0.4033 -0.06 -0.08027 -0.4461 0.03 0.0076202 0.0431 2.0E-4 3.0E-4 3023963 ChemDiv3_003978 OC(C#CCN1CCOCC1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E19 compound treatment -0.039 -0.050626 -0.2639 0.757 0.73673 4.0941 0.516 0.49362 2.7915 3.8231 0.7704 3119252 ChemDiv3_003979 CCN(CC)C(=S)SC1=CCS(=O)(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E20 compound treatment 0.177 0.16537 0.862 0.077 0.05673 0.3153 0.32 0.29762 1.6831 1.6514 0.8614 1158512 ChemDiv3_003980 COc1ccc2c(c1)c(=O)oc3cc(OC(C)C)ccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E21 compound treatment 0.07 0.058374 0.3043 0.06 0.03973 0.2208 -0.02 -0.04238 -0.2397 0.1648 0.3696 3119253 ChemDiv3_003981 CC12CS(=O)(=O)CC2SC(=S)N1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E22 compound treatment 0.074 0.062374 0.3251 0.039 0.01873 0.1041 0.051 0.02862 0.1619 0.3412 0.9033 1357925 ChemDiv3_003982 CN(C)C(=O)COc1cc(C)cc2oc(=O)c3CCCCc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E23 mock treatment -0.124 -0.13563 -0.7069 0.06 0.03973 0.2208 0.054 0.03162 0.1788 -0.1774 -0.2329 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 E24 mock treatment 0.1 0.088374 0.4606 -0.021 -0.04127 -0.2293 0.148 0.12562 0.7104 0.5437 0.6198 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F01 compound treatment 0.007 -0.0046255 -0.0241 -0.022 -0.04227 -0.2349 -0.158 -0.18038 -1.0201 -0.7385 -0.7053 3023964 ChemDiv3_003983 CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F02 compound treatment 0.074 0.062374 0.3251 -0.217 -0.23727 -1.3185 -0.134 -0.15638 -0.8844 -1.0841 -0.669 3119382 ChemDiv3_003984 O=C(NC1=NCCS1)c2cc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F03 compound treatment 0.044 0.032374 0.1687 -0.183 -0.20327 -1.1296 0.301 0.27862 1.5756 0.3549 0.1824 1627858 ChemDiv3_003985 CN(C)c1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F04 compound treatment -0.045 -0.056626 -0.2951 0.141 0.12073 0.6709 -0.013 -0.03538 -0.2001 0.1014 0.1335 3119383 ChemDiv3_003986 CC1=[N+]([O-])C(C)(C)[N+](=C1c2ccc(C)cc2)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F05 compound treatment 0.123 0.11137 0.5805 -0.073 -0.09327 -0.5183 -0.107 -0.12938 -0.7317 -0.3865 -0.3619 3119384 ChemDiv3_003987 COC(=O)c1ccc(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F06 compound treatment 0.117 0.10537 0.5492 -0.013 -0.03327 -0.1849 0.117 0.09462 0.5351 0.5193 0.6584 3023965 ChemDiv3_003988 CC(C)Cc1c(O)nc(SCC(=O)NC(C)(C)C)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F07 compound treatment 0.04 0.028374 0.1479 0.02 -2.7002E-4 -0.0015 0.212 0.18962 1.0723 0.7036 0.65 3119385 ChemDiv3_003989 Cc1ccccc1OCC(=O)Nc2cccc(c2)c3nnc(o3)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F08 compound treatment -0.121 -0.13263 -0.6913 0.044 0.02373 0.1319 -0.078 -0.10038 -0.5677 -0.6507 -0.7197 3023966 ChemDiv3_003990 COC(=O)c1c(C)c(=O)[nH]c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F09 compound treatment -0.102 -0.11363 -0.5922 0.231 0.21073 1.1711 -0.08 -0.10238 -0.579 -1.0E-4 -1.0E-4 1509397 ChemDiv3_003991 Fc1ccc(cc1)C(=O)Nc2ncnc3sc4CCCCCc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F10 compound treatment -0.026 -0.037626 -0.1961 0.082 0.06173 0.343 -0.007 -0.02938 -0.1661 -0.0111 -0.0259 3023967 ChemDiv3_003992 FC(F)(F)C1(N=C(OC(=N1)c2ccccc2)N3CCCCC3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F11 compound treatment 0.115 0.10337 0.5388 0.124 0.10373 0.5764 -0.106 -0.12838 -0.726 0.2247 0.2096 1229183 ChemDiv3_003993 Cc1sc2nc3c4ccccc4c(NCCO)nn3c(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F12 compound treatment 0.211 0.19937 1.0392 -0.037 -0.05727 -0.3183 0.02 -0.0023798 -0.0135 0.4085 0.3758 1299234 ChemDiv3_003994 COC(=O)c1c(N)n(CCc2ccccc2)c3nc4ccccc4nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F13 compound treatment 0.013 0.0013745 0.0072 0.052 0.03173 0.1763 -0.14 -0.16238 -0.9183 -0.4242 -0.4537 1319064 ChemDiv3_003995 Cc1ccc(Oc2nnc(c3cccs3)c4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F14 compound treatment 0.027 0.015374 0.0801 0.061 0.04073 0.2263 0.176 0.15362 0.8688 0.6785 0.7528 3119386 ChemDiv3_003996 Cc1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F15 compound treatment -0.083 -0.094626 -0.4932 -0.318 -0.33827 -1.8798 -0.023 -0.04538 -0.2566 -1.5182 -0.7745 3023968 ChemDiv3_003997 Cn1nc(CC(=O)Nc2nc(cs2)c3ccccc3)c4ccccc4c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F16 compound treatment -0.101 -0.11263 -0.587 -0.226 -0.24627 -1.3686 0.299 0.27662 1.5643 -0.2259 -0.1046 3119387 ChemDiv3_003998 COc1ccc(/N=C/c2c(O)ccc3oc4CCCCc4c23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F17 compound treatment 0.151 0.13937 0.7265 -0.01 -0.03027 -0.1682 -0.043 -0.06538 -0.3697 0.1088 0.1308 1229320 ChemDiv3_003999 CCOC(=O)CN1C(=O)C2(C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C(=O)OCC)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F18 compound treatment 0.071 0.059374 0.3095 0.258 0.23773 1.3211 0.2 0.17762 1.0045 1.5213 0.9012 1796400 ChemDiv3_004000 COc1ccc(CCn2cnc3sc4CCCCc4c3c2=N)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F19 compound treatment 0.081 0.069374 0.3616 0.098 0.07773 0.432 0.192 0.16962 0.9592 1.012 0.9097 1598055 ChemDiv3_004001 Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)n1Cc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F20 compound treatment -0.075 -0.086626 -0.4515 -0.048 -0.06827 -0.3794 0.17 0.14762 0.8348 0.0023 0.0022 3024019 ChemDiv3_004002 CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2O)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F21 compound treatment 0.045 0.033374 0.174 -0.011 -0.03127 -0.1738 0.012 -0.01038 -0.0587 -0.0338 -0.1336 1409929 ChemDiv3_004003 Cn1nc(C(=O)O)c2ccccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F22 compound treatment -0.007 -0.018626 -0.0971 0.05 0.02973 0.1652 0.072 0.04962 0.2806 0.2013 0.5926 1387840 ChemDiv3_004004 CCOC(=O)Cc1c(C)nc(Cc2ccc(OC(C)C)cc2)nc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F23 mock treatment 0.054 0.042374 0.2209 -0.094 -0.11427 -0.635 0.033 0.01062 0.0601 -0.2044 -0.3029 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 F24 mock treatment 0.076 0.064374 0.3355 -0.061 -0.08127 -0.4516 -0.034 -0.05638 -0.3188 -0.2511 -0.3883 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G01 compound treatment 0.071 0.059374 0.3095 -0.021 -0.04127 -0.2293 0.403 0.38062 2.1525 1.289 0.5895 3119388 ChemDiv3_004005 COC(=O)C1=CN(C=C(C1c2ccccc2)C(=O)OC)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G02 compound treatment -0.095 -0.10663 -0.5558 0.099 0.07873 0.4375 0.85 0.82762 4.6803 2.6339 0.5564 3024021 ChemDiv3_004006 Cc1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c(C)n1c3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G03 compound treatment 0.018 0.0063745 0.0332 0.029 0.00873 0.0485 0.067 0.04462 0.2523 0.1929 0.7444 3119389 ChemDiv3_004007 c1ccc2sc(nc2c1)c3cccc(n3)c4nc5ccccc5s4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G04 compound treatment 0.151 0.13937 0.7265 0.126 0.10573 0.5876 0.019 -0.0033798 -0.0191 0.7476 0.8 3119390 ChemDiv3_004008 COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G05 compound treatment 0.057 0.045374 0.2365 -0.069 -0.08927 -0.4961 0.058 0.03562 0.2014 -0.0336 -0.0574 3024022 ChemDiv3_004009 COc1ccc(/C=C/C=N/n2c(SC)nnc2c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G06 compound treatment 0.063 0.051374 0.2678 0.21 0.18973 1.0544 -0.116 -0.13838 -0.7826 0.3115 0.2325 1871125 ChemDiv3_004010 Cc1c(C)c2ccccc2n1C(=O)CSc3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G07 compound treatment 0.104 0.092374 0.4815 0.104 0.08373 0.4653 0.106 0.08362 0.4729 0.8196 0.9999 1673764 ChemDiv3_004011 CC(=O)N1C(Oc2nc(SCC=C)nnc2-c3ccccc13)c4ccc(o4)c5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G08 compound treatment 0.047 0.035374 0.1844 0.11 0.08973 0.4986 -0.253 -0.27538 -1.5573 -0.5048 -0.3067 3119391 ChemDiv3_004012 COc1ccc(NC(=O)C2CC(=O)N=C(Nc3ccccc3)S2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G09 compound treatment 0.0 -0.011626 -0.0606 -0.083 -0.10327 -0.5739 -0.031 -0.05338 -0.3019 -0.5406 -0.8301 1613829 ChemDiv3_004013 CCSc1nnc(c(O)n1)c2ccccc2NC(=O)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G10 compound treatment 0.054 0.042374 0.2209 0.091 0.07073 0.3931 0.169 0.14662 0.8292 0.8332 0.8828 1558726 ChemDiv3_004014 CC(C)(C)NC(=O)N1c2ccccc2Sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G11 compound treatment 0.084 0.072374 0.3772 -0.141 -0.16127 -0.8962 0.043 0.02062 0.1166 -0.2323 -0.2372 3119392 ChemDiv3_004015 Cc1nn(C)c(C)c1NC(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G12 compound treatment -0.006 -0.017626 -0.0919 -0.21 -0.23027 -1.2796 -0.142 -0.16438 -0.9296 -1.3285 -0.8386 1465103 ChemDiv3_004016 CCc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G13 compound treatment -0.012 -0.023626 -0.1231 -0.04 -0.06027 -0.3349 -0.088 -0.11038 -0.6242 -0.6249 -0.869 3119393 ChemDiv3_004017 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc(F)cc3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G14 compound treatment 0.132 0.12037 0.6274 0.006 -0.01427 -0.0793 -0.007 -0.02938 -0.1661 0.2205 0.3373 1303056 ChemDiv3_004018 CC(C)(C)NC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c3ccccc13)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G15 compound treatment 0.098 0.086374 0.4502 -0.006 -0.02627 -0.146 -0.253 -0.27538 -1.5573 -0.7235 -0.4445 1692964 ChemDiv3_004019 CCC(=O)N1N=C(CC1c2cc3cc(OC)ccc3nc2Cl)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G16 compound treatment -0.012 -0.023626 -0.1231 0.135 0.11473 0.6376 -0.032 -0.05438 -0.3075 0.1195 0.1663 1699942 ChemDiv3_004020 Brc1ccc(cc1)C2NC(=O)c3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G17 compound treatment 0.0 -0.011626 -0.0606 0.114 0.09373 0.5209 -0.025 -0.04738 -0.2679 0.111 0.1886 3024023 ChemDiv3_004021 CC(=O)OC1CCS(=O)(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G18 compound treatment 0.106 0.094374 0.4919 -0.087 -0.10727 -0.5961 -0.204 -0.22638 -1.2802 -0.7993 -0.5345 3119394 ChemDiv3_004022 CCCc1n[nH]c2OC(=C(C#N)C(CCc3ccccc3)c12)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G19 compound treatment 0.096 0.084374 0.4398 0.199 0.17873 0.9932 0.229 0.20662 1.1685 1.502 0.9414 3024024 ChemDiv3_004023 CC1(CCS(=O)(=O)C1)NC(=S)NCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G20 compound treatment 0.127 0.11537 0.6014 -0.017 -0.03727 -0.2071 -0.246 -0.26838 -1.5177 -0.6486 -0.3942 1713974 ChemDiv3_004024 Oc1cc(OCC(=O)c2ccccc2)cc3oc(cc(=O)c13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G21 compound treatment -0.059 -0.070626 -0.3681 -0.048 -0.06827 -0.3794 -0.154 -0.17638 -0.9975 -1.0075 -0.8924 1338699 ChemDiv3_004025 CCCCN(C1CCS(=O)(=O)C1)C(=O)Nc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G22 compound treatment 0.03 0.018374 0.0958 0.023 0.00273 0.0152 0.111 0.08862 0.5012 0.3534 0.6923 1306939 ChemDiv3_004026 Cc1c(OC(=O)c2ccco2)ccc3c4CCCc4c(=O)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G23 mock treatment 0.036 0.024374 0.127 0.135 0.11473 0.6376 -0.105 -0.12738 -0.7204 0.0256 0.0263 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 G24 mock treatment 0.0 -0.011626 -0.0606 0.035 0.01473 0.0819 0.201 0.17862 1.0101 0.5955 0.5865 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H01 compound treatment 0.0 -0.011626 -0.0606 0.02 -2.7002E-4 -0.0015 -0.043 -0.06538 -0.3697 -0.2493 -0.6654 3119395 ChemDiv3_004027 CC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H02 compound treatment 0.046 0.034374 0.1792 0.193 0.17273 0.9599 0.0 -0.02238 -0.1266 0.5846 0.5937 3024025 ChemDiv3_004028 Cc1c(c2ccco2)[n+]([O-])c(c(C)[n+]1[O-])c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H03 compound treatment -0.091 -0.10263 -0.5349 0.013 -0.00727 -0.0404 -0.154 -0.17638 -0.9975 -0.908 -0.8018 3119396 ChemDiv3_004029 C/C(=N\O)/CCc1oc2ccccc2c1c3ccc(C)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H04 compound treatment 0.065 0.053374 0.2782 -0.17 -0.19027 -1.0574 -0.387 -0.40938 -2.3151 -1.7865 -0.6978 3024026 ChemDiv3_004030 CC1N(O)C(C)(C)[N+](=C1c2ccccc2)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H05 compound treatment 0.039 0.027374 0.1427 -0.074 -0.09427 -0.5239 -0.094 -0.11638 -0.6581 -0.6001 -0.7033 3024027 ChemDiv3_004031 CC(=O)N/C(=C\c1cccs1)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H06 compound treatment -0.037 -0.048626 -0.2534 -0.154 -0.17427 -0.9684 -0.255 -0.27738 -1.5686 -1.6111 -0.8658 3119397 ChemDiv3_004032 CCSc1nc(O)c(C(C)CC)c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H07 compound treatment -0.25 -0.26163 -1.3637 0.151 0.13073 0.7265 0.208 0.18562 1.0497 0.2382 0.1275 1130593 ChemDiv3_004033 O=C(Cc1ccccc1)Nc2cccc(c2)S(=O)(=O)c3cccc(NC(=O)Cc4ccccc4)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H08 compound treatment -0.017 -0.028626 -0.1492 0.263 0.24273 1.3489 -0.157 -0.17938 -1.0144 0.107 0.0631 3024028 ChemDiv3_004034 CCOC(=O)c1nn(c(C#N)c1NC(=O)c2nn(CC)cc2Br)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H09 compound treatment 0.018 0.0063745 0.0332 -0.093 -0.11327 -0.6295 -0.185 -0.20738 -1.1728 -1.0213 -0.7671 1423488 ChemDiv3_004035 COc1cc2c(cc1NP(=O)(C)Oc3ccccc3)oc4ccccc42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H10 compound treatment 0.26 0.24837 1.2946 -0.039 -0.05927 -0.3294 0.012 -0.01038 -0.0587 0.5234 0.3914 3024029 ChemDiv3_004036 COc1ccc(Cl)cc1NC2=NCC(C)S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H11 compound treatment 0.045 0.033374 0.174 0.045 0.02473 0.1374 0.084 0.06162 0.3485 0.381 0.9224 1247540 ChemDiv3_004037 CC1CCN(CC1)c2nn3c(=O)c4c(C)c(C)sc4nc3c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H12 compound treatment 0.094 0.082374 0.4294 -0.181 -0.20127 -1.1185 -0.247 -0.26938 -1.5234 -1.2774 -0.6591 1685422 ChemDiv3_004038 CCOC(=O)c1c(N)n(C2CCCCC2)c3nc4ccccc4nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H13 compound treatment 0.14 0.12837 0.6691 0.033 0.01273 0.0707 -0.153 -0.17538 -0.9918 -0.1455 -0.1214 1241398 ChemDiv3_004039 C1CCCN(CC1)c2nnc(c3cccs3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H14 compound treatment 0.093 0.081374 0.4241 -0.142 -0.16227 -0.9018 0.292 0.26962 1.5248 0.6046 0.3319 3119548 ChemDiv3_004040 CCc1ccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H15 compound treatment -0.076 -0.087626 -0.4567 -0.128 -0.14827 -0.824 -0.028 -0.05038 -0.2849 -0.9039 -0.9184 3024030 ChemDiv3_004041 O=C(Oc1ccc(cc1)N(Cc2cccs2)C3=NS(=O)(=O)c4ccccc34)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H16 compound treatment 0.047 0.035374 0.1844 -0.491 -0.51127 -2.8412 0.306 0.28362 1.6039 -0.6079 -0.186 3119549 ChemDiv3_004042 Oc1ccc2oc3CCCCc3c2c1/C=N/N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H17 compound treatment 0.165 0.15337 0.7994 -0.018 -0.03827 -0.2127 -0.025 -0.04738 -0.2679 0.1841 0.2117 1705908 ChemDiv3_004043 CCOC(=O)CN1C(=O)C2(C(=C(N)Oc3[nH]nc(C)c32)C#N)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H18 compound treatment 0.141 0.12937 0.6743 -0.237 -0.25727 -1.4297 -0.248 -0.27038 -1.529 -1.3189 -0.5997 3024031 ChemDiv3_004044 COc1ccc(CCn2cnc3oc(c(c4ccccc4)c3c2=N)c5ccccc5)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H19 compound treatment -0.04 -0.051626 -0.2691 0.111 0.09073 0.5042 -0.018 -0.04038 -0.2284 0.0039 0.0063 3119550 ChemDiv3_004045 Cc1nc(SC2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)c4c5CCCCc5sc4n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H20 compound treatment 0.213 0.20137 1.0496 -0.055 -0.07527 -0.4183 1.11 1.0876 5.8428 3.7379 0.6281 3442340 ChemDiv3_004046 CC(C)CC(Nc1ncnc2sc3CCCc3c12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H21 compound treatment -0.142 -0.15363 -0.8007 0.102 0.08173 0.4542 0.006 -0.01638 -0.0926 -0.2536 -0.2741 3024084 ChemDiv3_004047 COC(=O)/C=c/1\sc2ncnn2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H22 compound treatment -0.019 -0.030626 -0.1596 -0.083 -0.10327 -0.5739 -0.208 -0.23038 -1.3028 -1.1757 -0.8207 1470170 ChemDiv3_004048 Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H23 mock treatment 0.093 0.081374 0.4241 -0.012 -0.03227 -0.1793 0.127 0.10462 0.5916 0.4829 0.6441 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 H24 mock treatment -0.09 -0.10163 -0.5297 -0.045 -0.06527 -0.3627 -0.019 -0.04138 -0.234 -0.6503 -0.9518 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I01 compound treatment -0.007 -0.018626 -0.0971 -0.06 -0.08027 -0.4461 0.464 0.44162 2.4974 1.1283 0.4444 3024085 ChemDiv3_004049 Cc1[n+](CC=C)n(C)c2cc(Cl)c(Cl)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I02 compound treatment -0.058 -0.069626 -0.3629 -0.025 -0.04527 -0.2516 0.5 0.47762 2.701 1.2047 0.4402 3119551 ChemDiv3_004050 COCCn1c(C)cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I03 compound treatment 0.278 0.26637 1.3884 -0.112 -0.13227 -0.735 -0.013 -0.03538 -0.2001 0.2617 0.1653 1185967 ChemDiv3_004051 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Cl)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I04 compound treatment -0.051 -0.062626 -0.3264 0.083 0.06273 0.3486 0.044 0.02162 0.1223 0.0834 0.1692 3119552 ChemDiv3_004052 COc1ccc(Cl)c(NC2=NC(=O)/C(=C\c3cccnc3)/S2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I05 compound treatment -0.123 -0.13463 -0.7017 -0.006 -0.02627 -0.146 0.013 -0.0093798 -0.053 -0.52 -0.7236 1528287 ChemDiv3_004053 CSc1nnc-2c(OC(C)N(C(=O)C)c3ccccc32)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I06 compound treatment -0.078 -0.089626 -0.4671 0.011 -0.00927 -0.0515 -0.092 -0.11438 -0.6468 -0.6729 -0.8416 1788578 ChemDiv3_004054 O=C(CSc1nnc(o1)c2ccccc2)N3c4ccccc4CCc5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I07 compound treatment -0.112 -0.12363 -0.6444 0.547 0.52673 2.9271 0.056 0.03362 0.1901 1.4277 0.4754 3024086 ChemDiv3_004055 COC(=O)C1=C(C)NC(=S)NC1c2cc3OCOc3cc2Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I08 compound treatment -0.025 -0.036626 -0.1909 0.153 0.13273 0.7376 0.156 0.13362 0.7556 0.7519 0.7007 3119553 ChemDiv3_004056 FC(F)(F)c1cccc(c1)n2c(=O)oc3ccc(Cl)cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I09 compound treatment -0.033 -0.044626 -0.2326 0.018 -0.00227 -0.0126 -0.046 -0.06838 -0.3867 -0.3648 -0.8082 3119554 ChemDiv3_004057 CCc1ccc2NC(=O)/C(=C/3\S\C(=N/c4cccc(Cl)c4C)\NC3=O)/c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I10 compound treatment 0.068 0.056374 0.2938 0.268 0.24773 1.3767 0.076 0.05362 0.3032 1.1395 0.7914 1437793 ChemDiv3_004058 O=C(NCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I11 compound treatment -0.007 -0.018626 -0.0971 0.007 -0.01327 -0.0737 -0.087 -0.10938 -0.6186 -0.4558 -0.7229 3119555 ChemDiv3_004059 COC(=O)c1cc2c(C)nn(c3ccccc3)c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I12 compound treatment -0.153 -0.16463 -0.8581 -0.057 -0.07727 -0.4294 -0.05 -0.07238 -0.4093 -0.9796 -0.9391 1679546 ChemDiv3_004060 CCc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I13 compound treatment 0.067 0.055374 0.2886 -0.062 -0.08227 -0.4572 0.007 -0.01538 -0.087 -0.1475 -0.2694 3119556 ChemDiv3_004061 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(OC)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I14 compound treatment -0.052 -0.063626 -0.3316 -0.183 -0.20327 -1.1296 -0.1 -0.12238 -0.6921 -1.2432 -0.9104 3024087 ChemDiv3_004062 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I15 compound treatment 0.101 0.089374 0.4658 -0.031 -0.05127 -0.2849 -0.021 -0.04338 -0.2453 -0.0372 -0.0621 1737307 ChemDiv3_004063 O=C(N1N=C(CC1c2ccc3nccnc3c2)c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I16 compound treatment -0.067 -0.078626 -0.4098 -0.089 -0.10927 -0.6072 0.084 0.06162 0.3485 -0.386 -0.4758 3024088 ChemDiv3_004064 NC(=N)SCC1CN=C(S1)N2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I17 compound treatment -0.046 -0.057626 -0.3004 0.11 0.08973 0.4986 0.257 0.23462 1.3268 0.8805 0.6077 1449842 ChemDiv3_004065 CNC(=S)NC1CCS(=O)(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I18 compound treatment -0.033 -0.044626 -0.2326 -0.068 -0.08827 -0.4905 0.188 0.16562 0.9366 0.1233 0.1139 3119557 ChemDiv3_004066 CCCOc1ccc(cc1OCC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I19 compound treatment -0.061 -0.072626 -0.3785 0.145 0.12473 0.6931 -0.021 -0.04338 -0.2453 0.04 0.0484 3024089 ChemDiv3_004067 CCCC(NC1CCS(=O)(=O)C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I20 compound treatment -0.092 -0.10363 -0.5401 0.141 0.12073 0.6709 0.229 0.20662 1.1685 0.7501 0.5168 1874878 ChemDiv3_004068 COc1ccc2c(c1)c(=O)oc3c(C)c(OC(C(=O)O)c4ccccc4)ccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I21 compound treatment -0.135 -0.14663 -0.7642 0.095 0.07473 0.4153 -0.013 -0.03538 -0.2001 -0.317 -0.3552 1557945 ChemDiv3_004069 CCc1ccccc1NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccccc3CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I22 compound treatment -0.028 -0.039626 -0.2065 -0.092 -0.11227 -0.6239 0.013 -0.0093798 -0.053 -0.5101 -0.7736 3024090 ChemDiv3_004070 Cc1cc(OC(=O)c2cccs2)c3c4CCCc4c(=O)oc3c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I23 mock treatment -0.02 -0.031626 -0.1648 0.156 0.13573 0.7543 0.059 0.03662 0.2071 0.4599 0.5753 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 I24 mock treatment 0.023 0.011374 0.0593 0.268 0.24773 1.3767 0.039 0.01662 0.094 0.8833 0.6396 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J01 compound treatment 0.148 0.13637 0.7108 -0.036 -0.05627 -0.3127 -0.02 -0.04238 -0.2397 0.0915 0.1126 3024091 ChemDiv3_004071 CC(C)N1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccncc3)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J02 compound treatment 0.033 0.021374 0.1114 0.063 0.04273 0.2375 0.114 0.09162 0.5181 0.5006 0.8619 3119558 ChemDiv3_004072 CC(=O)OC1CCC(OC(=O)C)c2c1[n+]([O-])c(C)c(C)[n+]2[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J03 compound treatment 0.062 0.050374 0.2626 -0.032 -0.05227 -0.2905 0.807 0.78462 4.4372 2.5457 0.5715 3024092 ChemDiv3_004073 S=c1cc(oc(c1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J04 compound treatment 0.113 0.10137 0.5284 0.263 0.24273 1.3489 0.019 -0.0033798 -0.0191 1.0728 0.7405 3119559 ChemDiv3_004074 Cc1c(c2ccccc2)[n+]([O-])c(c(C)[n+]1[O-])c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J05 compound treatment 0.179 0.16737 0.8724 0.12 0.09973 0.5542 -0.025 -0.04738 -0.2679 0.669 0.6265 1128591 ChemDiv3_004075 COc1ccc(CC(=O)Nc2cccc(c2)c3nc4cc5ccccc5cc4[nH]3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J06 compound treatment 0.232 0.22037 1.1486 -0.031 -0.05127 -0.2849 0.153 0.13062 0.7387 0.9252 0.6632 1255030 ChemDiv3_004076 COc1ccc(cc1OC)C2C(c3cc(OC)c(OC)cc3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J07 compound treatment -0.034 -0.045626 -0.2378 0.238 0.21773 1.21 0.141 0.11862 0.6708 0.9486 0.6757 3119560 ChemDiv3_004077 O=C(Nc1cccc(c1)c2nc3ccccc3c(=O)o2)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J08 compound treatment 0.139 0.12737 0.6639 0.406 0.38573 2.1436 -0.013 -0.03538 -0.2001 1.5054 0.6682 3024093 ChemDiv3_004078 CCOC(=O)c1nn(c(C(=O)OCC)c1NC(=O)C2CCCCC2)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J09 compound treatment 0.154 0.14237 0.7421 -0.064 -0.08427 -0.4683 -0.025 -0.04738 -0.2679 0.0034 0.0037 1215988 ChemDiv3_004079 OC(=O)c1c2CC(CCc2nc3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J10 compound treatment 0.033 0.021374 0.1114 -0.089 -0.10927 -0.6072 -0.038 -0.06038 -0.3415 -0.4834 -0.6852 3119561 ChemDiv3_004080 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3cccc(c3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J11 compound treatment -0.132 -0.14363 -0.7486 0.018 -0.00227 -0.0126 -0.066 -0.08838 -0.4998 -0.7281 -0.8088 1549011 ChemDiv3_004081 Cc1ccc(cc1)c2nn3c(=O)c4ccccc4nc3c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J12 compound treatment -0.032 -0.043626 -0.2274 -0.073 -0.09327 -0.5183 0.0 -0.02238 -0.1266 -0.5036 -0.8683 1317257 ChemDiv3_004082 CCc1ccc(cc1)n2c(N)c(C(=O)OC)c3nc4ccccc4nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J13 compound treatment 0.068 0.056374 0.2938 -0.097 -0.11727 -0.6517 0.954 0.93162 5.2685 2.8352 0.5332 3024094 ChemDiv3_004083 O=C(CSc1ncnc2sc(cc12)c3ccccc3)c4ccc5OCCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J14 compound treatment 0.053 0.041374 0.2157 0.137 0.11673 0.6487 0.127 0.10462 0.5916 0.8406 0.9298 3119562 ChemDiv3_004084 FC(F)(F)c1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J15 compound treatment -0.031 -0.042626 -0.2222 0.663 0.64273 3.5718 0.259 0.23662 1.3381 2.7065 0.7084 1305983 ChemDiv3_004085 CCCN1CC=C2C(C1)C3(C(=O)Nc4ccccc43)C(C#N)(C#N)C(=C2C#N)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J16 compound treatment 0.138 0.12637 0.6587 0.154 0.13373 0.7432 -0.013 -0.03538 -0.2001 0.6938 0.6849 1458619 ChemDiv3_004086 CC(C)(C)c1nc2scc(c3ccccc3)c2c(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J17 compound treatment 0.16 0.14837 0.7734 -0.069 -0.08927 -0.4961 0.0 -0.02238 -0.1266 0.087 0.0938 1274153 ChemDiv3_004087 CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C41C(=O)N(CC(=O)OC)c5ccccc54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J18 compound treatment 0.078 0.066374 0.346 0.0 -0.02027 -0.1126 0.295 0.27262 1.5417 1.0248 0.647 1393431 ChemDiv3_004088 CCn1c(=O)c2c(-c3ccccc3CC42CCCCC4)n5c(SCC(=O)N)nnc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J19 compound treatment 0.046 0.034374 0.1792 0.042 0.02173 0.1208 0.068 0.04562 0.258 0.3221 0.9572 3119696 ChemDiv3_004089 CCN(CC)C(=O)O[n+]1cccc(CC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J20 compound treatment 0.182 0.17037 0.888 -0.076 -0.09627 -0.535 -0.103 -0.12538 -0.709 -0.2055 -0.1636 3119697 ChemDiv3_004090 C=CCN1C(=C(OC(=O)c2ccccc2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J21 compound treatment 0.069 0.057374 0.299 -0.153 -0.17327 -0.9629 0.135 0.11262 0.6369 -0.0156 -0.013 1423420 ChemDiv3_004091 Cc1cc(C)n(n1)c2nnc(C)n2NC(=S)NCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J22 compound treatment -0.021 -0.032626 -0.1701 -0.051 -0.07127 -0.3961 0.086 0.06362 0.3598 -0.1191 -0.2122 3119698 ChemDiv3_004092 COC(=O)/C=C/1\N(C(=NC1=O)Nc2nc(C)cc(C)n2)c3cccc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J23 mock treatment 0.103 0.091374 0.4763 0.107 0.08673 0.482 0.222 0.19962 1.1289 1.205 0.9152 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 J24 mock treatment 0.037 0.025374 0.1323 -0.08 -0.10027 -0.5572 -0.034 -0.05638 -0.3188 -0.4294 -0.6552 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K01 compound treatment -0.03 -0.041626 -0.217 0.219 0.19873 1.1044 0.713 0.69062 3.9056 2.7672 0.6808 3023297 ChemDiv3_004093 Oc1cc(C2C(=O)c3ccccc3C2=O)c4ccc5ccccc5c4n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K02 compound treatment 0.127 0.11537 0.6014 0.213 0.19273 1.071 0.023 6.2023E-4 0.0035 0.9676 0.7877 3119699 ChemDiv3_004094 COCCn1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K03 compound treatment -0.091 -0.10263 -0.5349 -0.006 -0.02627 -0.146 0.155 0.13262 0.75 0.0399 0.0428 1169810 ChemDiv3_004095 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K04 compound treatment -0.006 -0.017626 -0.0919 0.119 0.09873 0.5487 1.357 1.3346 6.4494 3.9873 0.616 3119700 ChemDiv3_004096 OC(=O)c1ccc(cc1)c2ccc(/C=C\3/SC(=NC3=O)Nc4cccc(c4)C(=O)O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K05 compound treatment -0.012 -0.023626 -0.1231 0.05 0.02973 0.1652 0.078 0.05562 0.3145 0.2059 0.5475 3119701 ChemDiv3_004097 CC/1=NN(C(=O)\C1=C/Nc2cc(C)ccn2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K06 compound treatment 0.042 0.030374 0.1583 -0.218 -0.23827 -1.3241 -0.168 -0.19038 -1.0766 -1.2947 -0.7554 1871177 ChemDiv3_004098 COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K07 compound treatment -0.087 -0.098626 -0.5141 0.371 0.35073 1.9491 0.21 0.18762 1.061 1.4411 0.6326 3119702 ChemDiv3_004099 CN/1C(=N)NC(=O)\C1=C\c2ccc(C)s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K08 compound treatment 0.169 0.15737 0.8203 -0.065 -0.08527 -0.4739 0.017 -0.0053798 -0.0304 0.1824 0.1925 3023298 ChemDiv3_004100 COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K09 compound treatment -0.065 -0.076626 -0.3994 -0.169 -0.18927 -1.0518 -0.097 -0.11938 -0.6751 -1.2276 -0.9356 3119703 ChemDiv3_004101 CCOc1cc(/C=C/2\C(=O)Nc3ccc(Br)cc23)ccc1OCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K10 compound treatment -0.014 -0.025626 -0.1336 -0.006 -0.02627 -0.146 0.066 0.04362 0.2467 -0.019 -0.06 1400389 ChemDiv3_004102 CCOC(=O)C1CCN(CC1)C(=O)N2c3ccccc3Sc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K11 compound treatment -0.012 -0.023626 -0.1231 0.068 0.04773 0.2652 0.088 0.06562 0.3711 0.2963 0.6271 1679244 ChemDiv3_004103 Cc1ccc(Nc2nc(C)cc(C)c2C(=O)N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K12 compound treatment 0.157 0.14537 0.7577 -0.066 -0.08627 -0.4794 -0.125 -0.14738 -0.8335 -0.3205 -0.2618 1721188 ChemDiv3_004104 CCCS(=O)(=O)N1CCN(CC1)C2CCN(CC2)C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K13 compound treatment 0.169 0.15737 0.8203 -0.114 -0.13427 -0.7462 -0.051 -0.07338 -0.415 -0.1968 -0.1662 1612458 ChemDiv3_004105 CCn1c2ccccc2c3cc(NS(=O)(=O)c4ccccc4)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K14 compound treatment -0.084 -0.095626 -0.4984 -0.035 -0.05527 -0.3071 -0.044 -0.06638 -0.3754 -0.6818 -0.9804 1300482 ChemDiv3_004106 CN1C(=C(N2CCOCC2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K15 compound treatment 0.132 0.12037 0.6274 -0.017 -0.03727 -0.2071 -0.019 -0.04138 -0.234 0.1076 0.1534 3023329 ChemDiv3_004107 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3OC)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K16 compound treatment -0.023 -0.034626 -0.1805 1.863 1.8427 7.2699 -0.019 -0.04138 -0.234 3.958 0.544 3119704 ChemDiv3_004108 NC1(N)OC(CN2C(=O)c3ccccc3C2=O)CS1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K17 compound treatment 0.206 0.19437 1.0131 0.038 0.01773 0.0985 0.68 0.65762 3.719 2.789 0.7233 1697884 ChemDiv3_004109 CCOC(=O)NC1CS(=O)(=O)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K18 compound treatment 0.067 0.055374 0.2886 0.0 -0.02027 -0.1126 0.441 0.41862 2.3674 1.4684 0.615 3119705 ChemDiv3_004110 CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4ccc(OC)cc4)C(=O)CC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K19 compound treatment -0.086 -0.097626 -0.5088 0.333 0.31273 1.7379 0.262 0.23962 1.3551 1.492 0.6596 1179086 ChemDiv3_004111 O=S1(=O)CCC(C1)NC(=S)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K20 compound treatment 0.012 3.7448E-4 0.002 0.223 0.20273 1.1266 0.066 0.04362 0.2467 0.794 0.6885 3119706 ChemDiv3_004112 CCCN1Cc2cccc(C(=O)N)c2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K21 compound treatment 0.075 0.063374 0.3303 0.202 0.18173 1.0099 0.737 0.71462 4.0413 3.107 0.7435 1541504 ChemDiv3_004113 CC(C)NC(=S)SC1CS(=O)(=O)C=C1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K22 compound treatment -0.054 -0.065626 -0.3421 0.017 -0.00327 -0.0182 0.07 0.04762 0.2693 -0.0525 -0.1205 1280043 ChemDiv3_004114 Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K23 mock treatment -0.088 -0.099626 -0.5193 0.209 0.18873 1.0488 0.04 0.01762 0.0996 0.3633 0.3093 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 K24 mock treatment 0.165 0.15337 0.7994 0.05 0.02973 0.1652 0.131 0.10862 0.6143 0.9116 0.8923 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L01 compound treatment 0.173 0.16137 0.8411 -0.041 -0.06127 -0.3405 0.038 0.01562 0.0883 0.34 0.373 3119707 ChemDiv3_004115 COCCN1C(=O)N(C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)/C1=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L02 compound treatment 0.006 -0.0056255 -0.0293 0.019 -0.00127 -0.0071 0.077 0.05462 0.3089 0.1573 0.5069 3023337 ChemDiv3_004116 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L03 compound treatment 0.013 0.0013745 0.0072 -0.028 -0.04827 -0.2682 0.203 0.18062 1.0214 0.439 0.4157 3119708 ChemDiv3_004117 CCOc1ccc(cc1c2nc(=O)c3n(C)nc(c3[nH]2)C(C)(C)C)S(=O)(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L04 compound treatment -0.042 -0.053626 -0.2795 0.42 0.39973 2.2214 -0.119 -0.14138 -0.7995 0.6595 0.2774 3023341 ChemDiv3_004118 [O-][n+]1cc(c2ccccc2)[n+]([O-])c3CCCCc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L05 compound treatment 0.066 0.054374 0.2834 -0.135 -0.15527 -0.8629 -0.061 -0.08338 -0.4715 -0.6068 -0.593 3023342 ChemDiv3_004119 CC(C)C(=O)Nc1cccc(c1)c2nc3ccccc3c(=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L06 compound treatment -0.006 -0.017626 -0.0919 -0.101 -0.12127 -0.6739 3.038 3.0156 8.7323 4.5995 0.5251 3119709 ChemDiv3_004120 CCc1ccc(OCCCn2cc(/C=C\3/C(=N)N4C=CSC4=NC3=O)c5ccccc25)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L07 compound treatment 0.114 0.10237 0.5336 0.086 0.06573 0.3653 0.077 0.05462 0.3089 0.6973 0.973 3023344 ChemDiv3_004121 CCSc1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L08 compound treatment 0.136 0.12437 0.6483 0.888 0.86773 4.8221 0.028 0.0056202 0.0318 3.1767 0.6529 1713113 ChemDiv3_004122 O=S1(=O)C=C(SCCN2CCOCC2)c3ccccc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L09 compound treatment 0.11 0.098374 0.5128 0.062 0.04173 0.2319 -0.194 -0.21638 -1.2237 -0.2766 -0.2053 3023346 ChemDiv3_004123 CN(C)c1oc(nc1C#N)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L10 compound treatment 0.019 0.0073745 0.0384 0.031 0.01073 0.0596 0.088 0.06562 0.3711 0.2709 0.7169 3119710 ChemDiv3_004124 CCC1(COC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)COC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L11 compound treatment -0.006 -0.017626 -0.0919 0.44 0.41973 2.3325 0.282 0.25962 1.4682 2.1413 0.7765 1380020 ChemDiv3_004125 CCC1CCc2c(C1)sc3ncnc(N4CCOCC4)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L12 compound treatment 0.03 0.018374 0.0958 -0.05 -0.07027 -0.3905 -0.139 -0.16138 -0.9126 -0.6971 -0.699 1709855 ChemDiv3_004126 CCOc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L13 compound treatment 0.133 0.12137 0.6326 -0.02 -0.04027 -0.2238 0.06 0.03762 0.2127 0.3589 0.5098 1688543 ChemDiv3_004127 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N2CCN(CC2)c3ncnc4sc5CCCCc5c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L14 compound treatment -0.047 -0.058626 -0.3056 0.11 0.08973 0.4986 -0.037 -0.05938 -0.3358 -0.0824 -0.1222 1554741 ChemDiv3_004128 COc1ccc2n(CCc3ccc(OC)c(OC)c3)c(C)c(C(=O)O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L15 compound treatment -0.083 -0.094626 -0.4932 0.02 -2.7002E-4 -0.0015 0.098 0.07562 0.4276 -0.0387 -0.0593 1579821 ChemDiv3_004129 COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L16 compound treatment 0.092 0.080374 0.4189 -0.145 -0.16527 -0.9184 0.127 0.10462 0.5916 0.0532 0.0455 3119711 ChemDiv3_004130 O/N=C/c1c(O)c(Br)cc2oc3CCCCc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L17 compound treatment 0.113 0.10137 0.5284 0.049 0.02873 0.1597 0.208 0.18562 1.0497 1.0033 0.846 1421908 ChemDiv3_004131 O=c1n(CN2CCCCC2)nnc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L18 compound treatment 0.079 0.067374 0.3512 3.399 3.3787 8.8637 0.477 0.45462 2.571 6.8045 0.7368 1535030 ChemDiv3_004132 COc1ccc(cc1)C(=O)n2nc3CC(C)(C)OCc3c2c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L19 compound treatment -0.04 -0.051626 -0.2691 0.149 0.12873 0.7154 -0.095 -0.11738 -0.6638 -0.1256 -0.1241 3119712 ChemDiv3_004133 Cc1ccc(cc1)S(=O)(=O)N/2C(=O)C(C)(C)S\C2=N/CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L20 compound treatment 0.161 0.14937 0.7786 0.045 0.02473 0.1374 -0.109 -0.13138 -0.743 0.0999 0.0921 1346941 ChemDiv3_004134 CN1CCN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L21 compound treatment -0.071 -0.082626 -0.4307 -0.206 -0.22627 -1.2574 0.019 -0.0033798 -0.0191 -0.9857 -0.7415 3119713 ChemDiv3_004135 Cc1nnc(SCc2cccc(c2)C(=O)c3ccccc3)nc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L22 compound treatment 0.058 0.046374 0.2417 -0.112 -0.13227 -0.735 -0.259 -0.28138 -1.5913 -1.2035 -0.6802 3119714 ChemDiv3_004136 CC1CCN(CC1)/C(=N\S(=O)(=O)c2ccc(Br)cc2)/Nc3nc(C)cc(C)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L23 mock treatment 0.107 0.095374 0.4971 -0.012 -0.03227 -0.1793 -0.111 -0.13338 -0.7543 -0.252 -0.2736 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 L24 mock treatment -0.059 -0.070626 -0.3681 -0.013 -0.03327 -0.1849 0.033 0.01062 0.0601 -0.2846 -0.6837 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M01 compound treatment -0.008 -0.019626 -0.1023 -0.051 -0.07127 -0.3961 0.037 0.01462 0.0827 -0.24 -0.5751 3119869 ChemDiv3_004137 CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c4ccccc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M02 compound treatment 0.007 -0.0046255 -0.0241 -0.164 -0.18427 -1.024 -0.008 -0.03038 -0.1718 -0.7043 -0.6781 3023448 ChemDiv3_004138 CN1C(=O)C(=Cc2cn(CC=C)c3ccccc23)C(=O)N(C)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M03 compound treatment -0.039 -0.050626 -0.2639 -0.235 -0.25527 -1.4186 -0.021 -0.04338 -0.2453 -1.113 -0.7604 3023450 ChemDiv3_004139 CCc1cccc2c1NC(=O)C32OCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M04 compound treatment 2.375 2.3634 7.4788 -0.026 -0.04627 -0.2571 2.123 2.1006 7.7643 8.6521 0.8024 1912757 ChemDiv3_004140 Cc1cc2/C(=C/c3ccco3)/OC(=O)c2c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M05 compound treatment 0.126 0.11437 0.5961 0.089 0.06873 0.3819 0.504 0.48162 2.7237 2.1372 0.7594 3119870 ChemDiv3_004141 CCSC1=N/C(=C\c2ccc(cc2)C(=O)O)/C(=O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M06 compound treatment -0.125 -0.13663 -0.7121 0.138 0.11773 0.6542 -0.248 -0.27038 -1.529 -0.9162 -0.5064 3023453 ChemDiv3_004142 O=C(COc1ccccc1)N2CCN=C2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M07 compound treatment 0.047 0.035374 0.1844 -0.156 -0.17627 -0.9796 0.453 0.43062 2.4352 0.9469 0.3599 1181595 ChemDiv3_004143 CCC(=O)N1C(Oc2nc(SC)nnc2-c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M08 compound treatment -0.142 -0.15363 -0.8007 0.17 0.14973 0.8321 0.293 0.27062 1.5304 0.9017 0.4703 1618375 ChemDiv3_004144 S=C1NC(C2=C(N1)c3ccccc3CC2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M09 compound treatment 0.047 0.035374 0.1844 0.024 0.00373 0.0207 0.066 0.04362 0.2467 0.2608 0.845 3023457 ChemDiv3_004145 CCCCN1C(=O)/C(=C/2\S/C(=N\c3ccc(Cl)cc3)/N(C)C2=O)/c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M10 compound treatment 0.041 0.029374 0.1531 0.082 0.06173 0.343 0.038 0.01562 0.0883 0.3375 0.8744 3119871 ChemDiv3_004146 O=C(NCCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M11 compound treatment 0.013 0.0013745 0.0072 0.077 0.05673 0.3153 0.014 -0.0083798 -0.0474 0.1588 0.498 1406185 ChemDiv3_004147 Cc1cc(C)c2c(N=NN3CCCCCC3)n[nH]c2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M12 compound treatment 0.014 0.0023745 0.0124 -0.158 -0.17827 -0.9907 -0.056 -0.07838 -0.4433 -0.8207 -0.7562 3119872 ChemDiv3_004148 Cc1cc(Br)ccc1NCc2ccc3OCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M13 compound treatment 0.113 0.10137 0.5284 -0.057 -0.07727 -0.4294 -0.096 -0.11838 -0.6695 -0.3294 -0.3449 1438334 ChemDiv3_004149 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M14 compound treatment -0.068 -0.079626 -0.415 -0.021 -0.04127 -0.2293 -0.095 -0.11738 -0.6638 -0.7553 -0.9258 3023462 ChemDiv3_004150 CN1C(=C(Nc2ccccc2C)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M15 compound treatment 0.066 0.054374 0.2834 0.069 0.04873 0.2708 0.049 0.02662 0.1505 0.4069 0.969 1567678 ChemDiv3_004151 COc1ccc(cc1)C2=NN(C(C2)c3ccc(C)cc3)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M16 compound treatment 0.013 0.0013745 0.0072 -0.033 -0.05327 -0.296 0.141 0.11862 0.6708 0.2205 0.3007 3023506 ChemDiv3_004152 OC(=O)CP(=S)(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M17 compound treatment 1.273 1.2614 5.8162 0.246 0.22573 1.2544 1.935 1.9126 7.4993 8.412 0.8787 1339249 ChemDiv3_004153 CCSC(=S)NC1CCS(=O)(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M18 compound treatment -0.013 -0.024626 -0.1284 -0.065 -0.08527 -0.4739 0.032 0.0096202 0.0544 -0.3163 -0.6403 3119873 ChemDiv3_004154 CCN1C2=C(C(C3=C1CCCC3=O)c4cccc(O)c4)C(=O)CCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M19 compound treatment -0.153 -0.16463 -0.8581 0.2 0.17973 0.9988 0.163 0.14062 0.7952 0.5404 0.3513 1468946 ChemDiv3_004155 CN(C1CCS(=O)(=O)C1)C(=S)SC2CS(=O)(=O)C=C2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M20 compound treatment -0.03 -0.041626 -0.217 0.397 0.37673 2.0935 -0.053 -0.07538 -0.4263 0.8373 0.3899 1541732 ChemDiv3_004156 COC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2C)c4ccccc4)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M21 compound treatment 0.026 0.014374 0.0749 0.059 0.03873 0.2152 -0.093 -0.11538 -0.6525 -0.2092 -0.3027 1306134 ChemDiv3_004157 CN(C1CCCCC1)S(=O)(=O)C2CCS(=O)(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M22 compound treatment 0.053 0.041374 0.2157 -0.028 -0.04827 -0.2682 -0.032 -0.05438 -0.3075 -0.2079 -0.4505 3119874 ChemDiv3_004158 CC1CN(CC(C)O1)C2=NC(=O)/C(=C/c3ccccc3)/S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M23 mock treatment -0.105 -0.11663 -0.6079 0.06 0.03973 0.2208 0.063 0.04062 0.2297 -0.0909 -0.1324 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 M24 mock treatment 0.07 0.058374 0.3043 -0.058 -0.07827 -0.435 0.119 0.09662 0.5464 0.24 0.3151 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N01 compound treatment 0.049 0.037374 0.1948 0.076 0.05573 0.3097 0.02 -0.0023798 -0.0135 0.2835 0.7744 3023511 ChemDiv3_004159 O=C1S/C(=C\c2ccc(o2)N3CCOCC3)/C(=O)N1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N02 compound treatment 0.166 0.15437 0.8046 -0.014 -0.03427 -0.1904 -0.05 -0.07238 -0.4093 0.1183 0.1282 3119875 ChemDiv3_004160 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N03 compound treatment 0.195 0.18337 0.9558 0.071 0.05073 0.2819 -0.014 -0.03638 -0.2057 0.5958 0.5856 3023512 ChemDiv3_004161 C1CCC2=C(C1)SC3=C(CCCC3)C2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N04 compound treatment 0.025 0.013374 0.0697 2.255 2.2347 7.8036 -0.047 -0.06938 -0.3924 4.3191 0.5528 1863423 ChemDiv3_004162 CSc1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N05 compound treatment 0.15 0.13837 0.7212 0.049 0.02873 0.1597 -0.115 -0.13738 -0.7769 0.06 0.056 3023514 ChemDiv3_004163 O=C(ON1C(=O)c2ccccc2C1=O)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N06 compound treatment 0.183 0.17137 0.8932 0.194 0.17373 0.9654 0.193 0.17062 0.9649 1.6302 0.9994 1713635 ChemDiv3_004164 COC(=O)C1=C(C)Nc2c(C1c3cccc(OCc4ccccc4)c3)c(=O)n(C)c(=O)n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N07 compound treatment 0.123 0.11137 0.5805 0.057 0.03673 0.2041 -0.014 -0.03638 -0.2057 0.3342 0.5151 3023519 ChemDiv3_004165 CCCCS(=O)(=O)N=C1NCN(CCO)CN1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N08 compound treatment -0.024 -0.035626 -0.1857 -0.053 -0.07327 -0.4072 0.019 -0.0033798 -0.0191 -0.3533 -0.7888 3119876 ChemDiv3_004166 CC(C)(C)C1CCc2c(C1)sc3nc(oc(=O)c23)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N09 compound treatment 0.064 0.052374 0.273 -0.017 -0.03727 -0.2071 -0.012 -0.03438 -0.1944 -0.0742 -0.1884 3119877 ChemDiv3_004167 CCOC(=O)c1c(NC(=O)CC2S/C(=N\CC)/N(CC)C2=O)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N10 compound treatment -0.029 -0.040626 -0.2117 0.946 0.92573 5.1444 1.013 0.99062 5.5674 6.0622 0.7994 3023583 ChemDiv3_004168 COc1ccc(CNC(=N)N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N11 compound treatment 0.119 0.10737 0.5597 0.024 0.00373 0.0207 -0.227 -0.24938 -1.4103 -0.4791 -0.3158 1550858 ChemDiv3_004169 CC1CCN(CC1)c2nnc(c3cccs3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N12 compound treatment -0.037 -0.048626 -0.2534 -0.082 -0.10227 -0.5683 -0.093 -0.11538 -0.6525 -0.8512 -0.944 1484112 ChemDiv3_004170 O=S(=O)(Nc1nc2ccccc2nc1NCCC3=CCCCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N13 compound treatment -0.035 -0.046626 -0.243 0.076 0.05573 0.3097 -0.174 -0.19638 -1.1106 -0.6027 -0.5115 1570344 ChemDiv3_004171 CCc1nc(n2nnc3cc(C)c(C)cc23)c4c5CCCCc5sc4n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N14 compound treatment 0.125 0.11337 0.5909 0.093 0.07273 0.4042 0.142 0.11962 0.6765 0.9651 0.9798 1352096 ChemDiv3_004172 CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N15 compound treatment 0.04 0.028374 0.1479 -0.007 -0.02727 -0.1515 -0.033 -0.05538 -0.3132 -0.1829 -0.4839 1652261 ChemDiv3_004173 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)N(CO)c4ccccc43)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N16 compound treatment 0.097 0.085374 0.445 0.089 0.06873 0.3819 0.188 0.16562 0.9366 1.0182 0.9214 3023589 ChemDiv3_004174 CC(C)(C)c1cc2oc3CCCCc3c2c(/C=N/Cc4ccncc4)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N17 compound treatment 0.145 0.13337 0.6952 -0.059 -0.07927 -0.4405 0.017 -0.0053798 -0.0304 0.1295 0.1572 1176412 ChemDiv3_004175 Cc1onc(c1C(=O)NC(=S)NCc2ccco2)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N18 compound treatment 0.047 0.035374 0.1844 0.287 0.26673 1.4823 0.105 0.08262 0.4672 1.232 0.7872 1286690 ChemDiv3_004176 CC1(C)CC(CC(=O)N2CCOCC2)(CCO1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N19 compound treatment 0.199 0.18737 0.9766 0.082 0.06173 0.343 -0.23 -0.25238 -1.4273 -0.0621 -0.0352 1350975 ChemDiv3_004177 Cc1nn(C(=O)c2cccnc2)c(c1Sc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N20 compound treatment 0.164 0.15237 0.7942 0.018 -0.00227 -0.0126 -0.297 -0.31938 -1.8062 -0.5915 -0.2998 3119878 ChemDiv3_004178 CCCN(CCC)CN1CC(Cn2c3ccccc3c4ccccc24)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N21 compound treatment 0.057 0.045374 0.2365 -0.124 -0.14427 -0.8017 -0.037 -0.05938 -0.3358 -0.5202 -0.5775 1867988 ChemDiv3_004179 CC1CC(c2ccccc2)c3cc(C)ccc3N1S(=O)(=O)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N22 compound treatment 0.0 -0.011626 -0.0606 0.02 -2.7002E-4 -0.0015 -0.382 -0.40438 -2.2868 -1.3562 -0.5928 3119879 ChemDiv3_004180 Clc1ccc(cc1)C(=O)NC(=N)NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N23 mock treatment 0.006 -0.0056255 -0.0293 0.247 0.22673 1.26 -0.031 -0.05338 -0.3019 0.5362 0.4138 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 N24 mock treatment 0.099 0.087374 0.4554 -0.119 -0.13927 -0.7739 -0.034 -0.05638 -0.3188 -0.368 -0.3862 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O01 compound treatment 0.026 0.014374 0.0749 0.551 0.53073 2.9494 0.988 0.96562 5.4608 4.8988 0.7893 3023594 ChemDiv3_004181 CSc1nnc(c(O)n1)c2ccccc2N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O02 compound treatment -0.026 -0.037626 -0.1961 0.121 0.10073 0.5598 0.127 0.10462 0.5916 0.5515 0.6584 3119880 ChemDiv3_004182 NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O03 compound treatment 0.013 0.0013745 0.0072 0.05 0.02973 0.1652 0.0 -0.02238 -0.1266 0.0265 0.127 3023659 ChemDiv3_004183 CCc1ccc2NC(=O)/C(=C/3\NC(=S)NC3=O)/c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O04 compound treatment 0.011 -6.2552E-4 -0.0033 0.066 0.04573 0.2541 0.549 0.52662 2.9781 1.8643 0.6237 1537162 ChemDiv3_004184 COCc1cc(C)nc2sc(C(=O)N)c(N)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O05 compound treatment -0.064 -0.075626 -0.3942 -0.097 -0.11727 -0.6517 0.042 0.01962 0.111 -0.5398 -0.7013 3023662 ChemDiv3_004185 COc1cccc(/C=C/2\N=C(SC)SC2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O06 compound treatment 0.034 0.022374 0.1166 -0.015 -0.03527 -0.196 -0.007 -0.02938 -0.1661 -0.1418 -0.5024 3119881 ChemDiv3_004186 COc1cc(OC)cc(c1)C(=O)N2CCN=C2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O07 compound treatment -0.023 -0.034626 -0.1805 0.055 0.03473 0.193 0.124 0.10162 0.5747 0.339 0.536 3023663 ChemDiv3_004187 CCN(CC)c1ccc(/C=C/2\N(C)C(=N)NC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O08 compound treatment -0.088 -0.099626 -0.5193 -0.026 -0.04627 -0.2571 0.092 0.06962 0.3937 -0.2209 -0.3154 3119882 ChemDiv3_004188 CC(O)CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Br)cc3)/C(=C(C#N)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O09 compound treatment 0.117 0.10537 0.5492 -0.01 -0.03027 -0.1682 0.019 -0.0033798 -0.0191 0.2089 0.3636 3023665 ChemDiv3_004189 CSC1=N/C(=C\c2ccc(Br)cc2)/C(=O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O10 compound treatment 0.011 -6.2552E-4 -0.0033 -0.088 -0.10827 -0.6017 0.05 0.02762 0.1562 -0.2591 -0.4168 1520777 ChemDiv3_004190 CN1C(=O)C(C2CC1(C)Oc3ccccc23)C(=O)NC(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O11 compound treatment 0.023 0.011374 0.0593 0.128 0.10773 0.5987 -0.006 -0.02838 -0.1605 0.2872 0.4613 1527053 ChemDiv3_004191 O=C(CN1CC(=O)Oc2ccccc12)OCC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O12 compound treatment -0.028 -0.039626 -0.2065 -0.357 -0.37727 -2.0966 -0.257 -0.27938 -1.5799 -2.2419 -0.8513 3120033 ChemDiv3_004192 CCn1c2ccccc2c3cc(CNCCc4ccc(Cl)cc4)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O13 compound treatment 0.066 0.054374 0.2834 0.021 7.2998E-4 0.0041 -0.152 -0.17438 -0.9861 -0.4034 -0.3931 1472912 ChemDiv3_004193 O=C(NC1(CCCCC1)C#N)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O14 compound treatment -0.025 -0.036626 -0.1909 0.104 0.08373 0.4653 0.021 -0.0013798 -0.0078 0.1539 0.306 3120034 ChemDiv3_004194 CCCN(CCC)C1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O15 compound treatment 0.025 0.013374 0.0697 0.104 0.08373 0.4653 -0.006 -0.02838 -0.1605 0.2162 0.435 3120035 ChemDiv3_004195 CS(=O)(=O)N1N=C(CC1c2cc3ccccc3nc2Cl)c4ccc(Br)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O16 compound treatment -0.018 -0.029626 -0.1544 0.39 0.36973 2.0546 0.22 0.19762 1.1176 1.7423 0.7433 1484690 ChemDiv3_004196 OC(=O)CCNc1ncnc2sc3CCCCc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O17 compound treatment -0.053 -0.064626 -0.3368 0.021 7.2998E-4 0.0041 0.509 0.48662 2.7519 1.3967 0.5038 3120036 ChemDiv3_004197 C=CCN1[C@H]2CS(=O)(=O)C[C@H]2NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O18 compound treatment -0.011 -0.022626 -0.1179 -0.053 -0.07327 -0.4072 1.775 1.7526 7.2485 3.8818 0.5346 1564957 ChemDiv3_004198 CCOc1ccc(cc1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O19 compound treatment -0.011 -0.022626 -0.1179 0.34 0.31973 1.7768 -0.068 -0.09038 -0.5111 0.6627 0.3577 3023723 ChemDiv3_004199 CC1=CS(=O)(=O)CC1Sc2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O20 compound treatment 0.0 -0.011626 -0.0606 -0.006 -0.02627 -0.146 0.171 0.14862 0.8405 0.366 0.4279 1479636 ChemDiv3_004200 Cc1oc(cc1COc2ccc3c4CCCCc4c(=O)oc3c2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O21 compound treatment 0.006 -0.0056255 -0.0293 0.112 0.09173 0.5098 0.101 0.07862 0.4446 0.5341 0.7888 3023725 ChemDiv3_004201 Cc1nc2sc3CCCCc3c2c4nnc(SCC(=O)c5ccccc5)n14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O22 compound treatment -0.034 -0.045626 -0.2378 -0.119 -0.13927 -0.7739 0.013 -0.0093798 -0.053 -0.6148 -0.7577 3120037 ChemDiv3_004202 CC1CCC2(CC1)NN(C(=S)N2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O23 mock treatment -0.097 -0.10863 -0.5662 0.188 0.16773 0.9321 -0.006 -0.02838 -0.1605 0.1186 0.1076 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 O24 mock treatment 0.228 0.21637 1.1278 0.0 -0.02027 -0.1126 0.111 0.08862 0.5012 0.8754 0.7064 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P01 compound treatment 0.179 0.16737 0.8724 0.08 0.05973 0.3319 0.147 0.12462 0.7048 1.1022 0.9424 3120038 ChemDiv3_004203 COCCN1C(=O)N(C(=O)/C(=C\c2cc(C)n(c2C)c3ccncc3)/C1=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P02 compound treatment 0.08 0.068374 0.3564 0.026 0.00573 0.0318 -0.019 -0.04138 -0.234 0.089 0.2083 3023728 ChemDiv3_004204 CCc1c(C)[n+]([O-])c2CCCCCc2[n+]1[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P03 compound treatment 0.082 0.070374 0.3668 0.041 0.02073 0.1152 -0.007 -0.02938 -0.1661 0.1824 0.4354 3023729 ChemDiv3_004205 COC(=O)c1ccc(OCC(O)Cn2c(C)[n+](C)c3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P04 compound treatment 0.07 0.058374 0.3043 0.13 0.10973 0.6098 0.019 -0.0033798 -0.0191 0.5167 0.7579 3120039 ChemDiv3_004206 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P05 compound treatment 0.131 0.11937 0.6222 0.092 0.07173 0.3986 0.191 0.16862 0.9536 1.1399 0.9449 3023733 ChemDiv3_004207 O=C(ON1C(=O)c2ccccc2C1=O)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P06 compound treatment 0.091 0.079374 0.4137 0.566 0.54573 3.0327 0.299 0.27662 1.5643 2.893 0.8416 1192417 ChemDiv3_004208 COc1cc(cc(OC)c1OC)C2C3=C(CCCC3=O)Nc4[nH]c(=O)[nH]c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P07 compound treatment -0.02 -0.031626 -0.1648 -0.031 -0.05127 -0.2849 0.148 0.12562 0.7104 0.1505 0.1922 3120040 ChemDiv3_004209 CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C2NCN(CCOC(=O)c3ccccc3)CN2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P08 compound treatment 0.138 0.12637 0.6587 -0.05 -0.07027 -0.3905 0.102 0.07962 0.4503 0.4148 0.467 3023735 ChemDiv3_004210 COC(=O)c1c(C)nn(c1NC(=O)C(C)Oc2ccc(Cl)cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P09 compound treatment -0.025 -0.036626 -0.1909 0.111 0.09073 0.5042 -0.006 -0.02838 -0.1605 0.0882 0.1568 1521251 ChemDiv3_004211 Cc1cc2nnn(c3nc(C)nc4sc5CCCCc5c34)c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P10 compound treatment -0.037 -0.048626 -0.2534 -0.08 -0.10027 -0.5572 -0.199 -0.22138 -1.2519 -1.1908 -0.8545 3023737 ChemDiv3_004212 CSc1nc(C)cc(NC(=O)N)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P11 compound treatment 0.0 -0.011626 -0.0606 0.076 0.05573 0.3097 -0.084 -0.10638 -0.6016 -0.2035 -0.2996 1165643 ChemDiv3_004213 CC(C)(C)c1ccc(cc1)c2cc3ccccn3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P12 compound treatment 0.031 0.019374 0.101 -0.205 -0.22527 -1.2519 -0.354 -0.37638 -2.1285 -1.8933 -0.7661 1379043 ChemDiv3_004214 Fc1ccccc1Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P13 compound treatment 0.043 0.031374 0.1635 -0.007 -0.02727 -0.1515 0.168 0.14562 0.8235 0.4824 0.5654 3120041 ChemDiv3_004215 Cc1cc(C(=O)CSc2ncnc3sc4CCCCc4c23)c(C)n1Cc5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P14 compound treatment 0.042 0.030374 0.1583 -0.128 -0.14827 -0.824 -0.032 -0.05438 -0.3075 -0.5619 -0.6287 3024070 ChemDiv3_004216 CN1C(=O)/C(=C/Nc2cccc(Cl)c2)/c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P15 compound treatment -0.196 -0.20763 -1.0822 -0.072 -0.09227 -0.5128 1.124 1.1016 5.8807 2.4744 0.4123 1257595 ChemDiv3_004217 OC(=O)CSc1nnc-2c(OC3(CCCC3)Nc4ccccc42)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P16 compound treatment 0.039 0.027374 0.1427 0.144 0.12373 0.6876 -0.198 -0.22038 -1.2463 -0.2402 -0.1679 3024074 ChemDiv3_004218 CN1C(=O)/C(=C\Nc2cccc(CO)c2)/c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P17 compound treatment 0.103 0.091374 0.4763 0.106 0.08573 0.4764 0.083 0.06062 0.3428 0.748 0.9895 3120042 ChemDiv3_004219 Cc1ccc(Oc2ncnc3sccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P18 compound treatment 0.05 0.038374 0.2 0.229 0.20873 1.1599 -0.124 -0.14638 -0.8278 0.3072 0.2135 3024079 ChemDiv3_004220 CC1=N/C(=C/c2cc3ccccc3nc2Sc4ccc(C)cc4)/C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P19 compound treatment 0.071 0.059374 0.3095 0.129 0.10873 0.6042 -0.18 -0.20238 -1.1445 -0.1332 -0.1001 1244804 ChemDiv3_004221 COc1ccc(cc1OC)C(=O)Nn2c(C)nnc2n3nc(C)cc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P20 compound treatment 0.142 0.13037 0.6795 0.132 0.11173 0.6209 -0.275 -0.29738 -1.6817 -0.2201 -0.1148 3120043 ChemDiv3_004222 CC(C)CN(CC(C)C)CN1CC(COc2ccccc2C)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P21 compound treatment -0.037 -0.048626 -0.2534 -0.05 -0.07027 -0.3905 -0.074 -0.09638 -0.545 -0.6865 -0.9577 3023284 ChemDiv3_004223 COC(=O)C1=CN(C=C(C1c2cccc(OC)c2)C(=O)OC)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P22 compound treatment 0.122 0.11037 0.5753 0.052 0.03173 0.1763 0.284 0.26162 1.4795 1.2881 0.8065 1820755 ChemDiv3_004224 O=C(CSc1nnnn1c2ccccc2)N3c4ccccc4CCc5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P23 mock treatment 0.033 0.021374 0.1114 0.127 0.10673 0.5931 0.127 0.10462 0.5916 0.7483 0.8855 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2012 P24 mock treatment -0.07 -0.081626 -0.4255 -0.084 -0.10427 -0.5794 0.026 0.0036202 0.0205 -0.5684 -0.7903 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A01 compound treatment -0.115 -0.12663 -0.66 -0.044 -0.06427 -0.3572 0.48 0.45762 2.5879 0.9069 0.3366 3119423 ChemDiv3_004929 COc1cc(cc(OC)c1OC)C(=O)/C=C/Nc2ccc(cc2)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A02 compound treatment -0.073 -0.084626 -0.4411 -0.107 -0.12727 -0.7073 0.035 0.01262 0.0714 -0.6218 -0.7433 3024419 ChemDiv3_004930 OC(=O)c1ccc(NC(=O)CCCN2C(=O)S/C(=C\C=C\c3ccccc3)/C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A03 compound treatment 0.166 0.15437 0.8046 0.248 0.22773 1.2655 -0.052 -0.07438 -0.4206 0.9524 0.6115 3119424 ChemDiv3_004931 Cc1ccc(cc1C)n2nc(C(=O)O)c(C)c(C#N)c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A04 compound treatment -0.105 -0.11663 -0.6079 0.212 0.19173 1.0655 -0.199 -0.22138 -1.2519 -0.4586 -0.2617 3119563 ChemDiv3_004932 CC1(C)C2CCC1(C)C(C2)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A05 compound treatment -0.118 -0.12963 -0.6756 2.451 2.4307 8.0293 -0.137 -0.15938 -0.9013 3.7253 0.4595 3024422 ChemDiv3_004933 COc1ccc2-c3nc(/N=C/c4ccc(C)cc4)sc3CCc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A06 compound treatment -0.179 -0.19063 -0.9936 0.049 0.02873 0.1597 -0.25 -0.27238 -1.5404 -1.3708 -0.745 3119564 ChemDiv3_004934 COc1ccc(cc1)C2NC(C(C)C(O)(Cc3ccccc3)C2C)c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A07 compound treatment -0.148 -0.15963 -0.832 0.029 0.00873 0.0485 0.028 0.0056202 0.0318 -0.434 -0.5204 3024425 ChemDiv3_004935 CC1(C)COC(=N1)Nc2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A08 compound treatment -0.173 -0.18463 -0.9623 0.019 -0.00127 -0.0071 -0.056 -0.07838 -0.4433 -0.8156 -0.7698 1195009 ChemDiv3_004936 COc1ccc(cc1)c2cc(=O)c3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A09 compound treatment 0.081 0.069374 0.3616 0.0 -0.02027 -0.1126 -0.039 -0.06138 -0.3471 -0.0567 -0.1103 3024428 ChemDiv3_004937 CC(C)(C)C(=O)NC(=S)Nc1ccc2C(=O)OCc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A10 compound treatment 0.033 0.021374 0.1114 0.075 0.05473 0.3041 0.019 -0.0033798 -0.0191 0.2289 0.7054 3119565 ChemDiv3_004938 CCOC(=O)c1cnc2c(cccc2c1N3CCN(C)CC3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A11 compound treatment 0.137 0.12537 0.6535 -0.103 -0.12327 -0.685 -0.101 -0.12338 -0.6977 -0.4211 -0.358 3024430 ChemDiv3_004939 CCOc1ccc(/C=C/2\N(CC(=O)OC)C(=S)N(C)C2=O)c(OCC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A12 compound treatment -0.007 -0.018626 -0.0971 0.049 0.02873 0.1597 -0.051 -0.07338 -0.415 -0.2035 -0.4471 3119566 ChemDiv3_004940 COC(=O)c1sc(c(C(=O)OC)c1C)S(=O)(=O)NC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A13 compound treatment 0.248 0.23637 1.232 -0.139 -0.15927 -0.8851 0.265 0.24262 1.3721 0.9925 0.4852 3024433 ChemDiv3_004941 COC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A14 compound treatment 0.124 0.11237 0.5857 -0.066 -0.08627 -0.4794 0.106 0.08362 0.4729 0.3344 0.3747 3119567 ChemDiv3_004942 COc1cc(/C=C/C(=O)\C=C\c2ccc(cc2)N(C)C)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A15 compound treatment -0.153 -0.16463 -0.8581 0.045 0.02473 0.1374 -0.038 -0.06038 -0.3415 -0.6132 -0.6568 1280049 ChemDiv3_004943 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)C(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A16 compound treatment 0.039 0.027374 0.1427 0.058 0.03773 0.2097 0.464 0.44162 2.4974 1.6453 0.6554 3119568 ChemDiv3_004944 S=C1NCN(Cc2ccccc2)CN1CC3CCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A17 compound treatment -0.013 -0.024626 -0.1284 -0.133 -0.15327 -0.8517 0.0 -0.02238 -0.1266 -0.6389 -0.7339 1874490 ChemDiv3_004945 CCC1(C)CC(CCN2C(=O)c3ccccc3C2=O)(CCO1)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A18 compound treatment -0.011 -0.022626 -0.1179 -0.141 -0.16127 -0.8962 0.088 0.06562 0.3711 -0.3713 -0.3799 3119569 ChemDiv3_004946 Cc1sc2ncnc(Oc3cccc(c3)C(F)(F)F)c2c1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A19 compound treatment 0.286 0.27437 1.4301 0.007 -0.01327 -0.0737 0.623 0.60062 3.3966 2.7441 0.7444 1524496 ChemDiv3_004947 NC(=O)NC(=O)CC1Nc2ccccc2NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A20 compound treatment 0.144 0.13237 0.69 -0.006 -0.02627 -0.146 0.117 0.09462 0.5351 0.623 0.7037 1242544 ChemDiv3_004948 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A21 compound treatment -0.094 -0.10563 -0.5505 0.101 0.08073 0.4486 0.121 0.09862 0.5577 0.2632 0.2914 3024507 ChemDiv3_004949 CN(C)c1ccc(/C=C\2/N(C(=O)C)c3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A22 compound treatment 0.0 -0.011626 -0.0606 0.132 0.11173 0.6209 -0.174 -0.19638 -1.1106 -0.3177 -0.2494 3119570 ChemDiv3_004950 C=CCNC(=N)SCc1nc2ccccc2c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A23 mock treatment -0.057 -0.068626 -0.3577 0.014 -0.00627 -0.0348 0.043 0.02062 0.1166 -0.1593 -0.4216 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 A24 mock treatment -0.034 -0.045626 -0.2378 -0.097 -0.11727 -0.6517 0.128 0.10562 0.5973 -0.1687 -0.1843 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B01 compound treatment -0.107 -0.11863 -0.6183 -0.034 -0.05427 -0.3016 0.315 0.29262 1.6548 0.4243 0.2368 3119571 ChemDiv3_004951 CCOC(=O)C1CCN(CC1)C(=C2C(=O)c3ccccc3C2=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B02 compound treatment -0.213 -0.22463 -1.1708 0.094 0.07373 0.4097 -0.038 -0.06038 -0.3415 -0.6365 -0.4948 3024512 ChemDiv3_004952 CCc1ccc(/C=C/2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B03 compound treatment -0.056 -0.067626 -0.3525 0.11 0.08973 0.4986 0.527 0.50462 2.8537 1.732 0.5935 1481254 ChemDiv3_004953 CCOc1ccc2C(=CC(C)(C)[N+](C)(C)c2c1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B04 compound treatment -0.112 -0.12363 -0.6444 0.15 0.12973 0.7209 -0.289 -0.31138 -1.7609 -0.9725 -0.4841 1385231 ChemDiv3_004954 Cc1nn(S(=O)c2ccc3ccccc3c2)c(C)c1Sc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B05 compound treatment 0.065 0.053374 0.2782 0.111 0.09073 0.5042 -0.007 -0.02938 -0.1661 0.3558 0.5936 1871664 ChemDiv3_004955 Clc1nc(nc(n1)N2CCCc3ccccc23)N4CCCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B06 compound treatment -0.066 -0.077626 -0.4046 0.331 0.31073 1.7268 -0.04 -0.06238 -0.3528 0.5597 0.3095 3119572 ChemDiv3_004956 COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2c3ccccc3OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B07 compound treatment 0.164 0.15237 0.7942 -0.184 -0.20427 -1.1352 -0.133 -0.15538 -0.8787 -0.7042 -0.4292 3024517 ChemDiv3_004957 CCOC(=O)C1=C(C)N=C2C(C1c3ccc(Br)cc3)C(=O)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B08 compound treatment 0.006 -0.0056255 -0.0293 -0.318 -0.33827 -1.8798 -0.026 -0.04838 -0.2736 -1.2602 -0.6633 3119573 ChemDiv3_004958 CCc1ccc2N(C)C(=O)C(NC(=O)C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B09 compound treatment -0.173 -0.18463 -0.9623 0.076 0.05573 0.3097 0.064 0.04162 0.2354 -0.2409 -0.2321 3119574 ChemDiv3_004959 COC(=O)C/1=C(C)N(C(=O)\C1=C/c2cc(C)n(c2C)c3ccc(F)cc3)c4ccc(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B10 compound treatment 0.052 0.040374 0.2104 0.013 -0.00727 -0.0404 -0.517 -0.53938 -3.0503 -1.6629 -0.5438 3024588 ChemDiv3_004960 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)OCCN2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B11 compound treatment -0.06 -0.071626 -0.3733 0.036 0.01573 0.0874 -0.019 -0.04138 -0.234 -0.3002 -0.6683 3024591 ChemDiv3_004961 Fc1cc(/C=C\2/NC(=O)NC2=O)ccc1N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B12 compound treatment 0.024 0.012374 0.0645 -0.126 -0.14627 -0.8128 -0.132 -0.15438 -0.873 -0.9361 -0.7836 3119575 ChemDiv3_004962 CN1C(=O)c2ccc(cc2C1=O)c3nc4ccc(Cl)cc4c(=O)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B13 compound treatment 0.033 0.021374 0.1114 -0.11 -0.13027 -0.7239 -0.014 -0.03638 -0.2057 -0.4724 -0.621 3024594 ChemDiv3_004963 CCOc1cc2OCOc2cc1/C=C\3/NC(=O)N(Cc4ccccc4)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B14 compound treatment -0.007 -0.018626 -0.0971 -0.202 -0.22227 -1.2352 -0.083 -0.10538 -0.5959 -1.1133 -0.8097 3119576 ChemDiv3_004964 CCOc1cc2OCOc2cc1/C=C(\C#N)/c3ccc(cc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B15 compound treatment 0.015 0.0033745 0.0176 0.012 -0.00827 -0.046 0.461 0.43862 2.4805 1.4157 0.5706 1217444 ChemDiv3_004965 COc1ccc(NCN2C(=O)CCC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B16 compound treatment 0.226 0.21437 1.1174 -0.195 -0.21527 -1.1963 0.238 0.21562 1.2194 0.6584 0.3226 3119577 ChemDiv3_004966 CCOC(=O)c1nc(NCc2ccccc2)c3ccccc3n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B17 compound treatment -0.087 -0.098626 -0.5141 0.142 0.12173 0.6765 0.207 0.18462 1.0441 0.6966 0.5175 1165861 ChemDiv3_004967 Fc1ccc(NC(=O)Nc2ccc3COC(=O)c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B18 compound treatment -0.242 -0.25363 -1.322 0.12 0.09973 0.5542 -0.034 -0.05638 -0.3188 -0.6273 -0.4272 3024598 ChemDiv3_004968 CC(C)(C)C(=O)C(=C1Nc2ccccc2N1)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B19 compound treatment 0.145 0.13337 0.6952 -0.146 -0.16627 -0.924 0.143 0.12062 0.6821 0.2617 0.195 3024601 ChemDiv3_004969 CC(C)Cn1c(S)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B20 compound treatment -0.044 -0.055626 -0.2899 0.078 0.05773 0.3208 0.237 0.21462 1.2137 0.7186 0.5577 3119578 ChemDiv3_004970 OC(=O)CCc1ccc(c2ccccc2)n1c3cccc(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B21 compound treatment -0.007 -0.018626 -0.0971 0.025 0.00473 0.0263 -0.058 -0.08038 -0.4546 -0.3033 -0.6515 3119579 ChemDiv3_004971 Clc1cccc(Cc2cn3cc(nc3s2)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B22 compound treatment -0.137 -0.14863 -0.7747 0.057 0.03673 0.2041 -0.084 -0.10638 -0.6016 -0.6767 -0.6755 3024603 ChemDiv3_004972 NC(=O)CSc1ccc2ccccc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B23 mock treatment -0.126 -0.13763 -0.7173 -0.052 -0.07227 -0.4016 0.051 0.02862 0.1619 -0.5526 -0.6595 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 B24 mock treatment 0.018 0.0063745 0.0332 -0.012 -0.03227 -0.1793 -0.032 -0.05438 -0.3075 -0.2619 -0.7325 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C01 compound treatment 0.11 0.098374 0.5128 0.066 0.04573 0.2541 -0.271 -0.29338 -1.6591 -0.5151 -0.2935 3119580 ChemDiv3_004973 COc1cc(cc(OC)c1OC)C(=O)/C=C/Nc2ccccc2C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C02 compound treatment 0.045 0.033374 0.174 0.207 0.18673 1.0377 0.026 0.0036202 0.0205 0.7114 0.676 3024606 ChemDiv3_004974 Cc1ccc(NC(=O)/C=C\2/SC(=O)N(CN3CCCCC3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C03 compound treatment 0.133 0.12137 0.6326 0.132 0.11173 0.6209 -0.098 -0.12038 -0.6808 0.3307 0.2959 1251629 ChemDiv3_004975 COc1ccc(cc1)c2cc3nc(C)cc(C)n3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C04 compound treatment -0.12 -0.13163 -0.6861 0.373 0.35273 1.9602 -0.068 -0.09038 -0.5111 0.4405 0.206 3024954 ChemDiv3_004976 CC(NC(CC(=C)C)c1ccco1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C05 compound treatment 0.132 0.12037 0.6274 0.652 0.63173 3.5106 0.0 -0.02238 -0.1266 2.316 0.649 3119581 ChemDiv3_004977 O=C(Nc1ccccc1)C2CCN(CC2)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C06 compound treatment 0.066 0.054374 0.2834 0.928 0.90773 5.0444 -0.006 -0.02838 -0.1605 2.9834 0.5902 1157212 ChemDiv3_004978 COc1ccccc1NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C07 compound treatment 0.101 0.089374 0.4658 -0.131 -0.15127 -0.8406 0.458 0.43562 2.4635 1.2059 0.456 3119582 ChemDiv3_004979 Cc1cc(C)nc(NC(=O)CSC(=S)N2CCOCC2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C08 compound treatment -0.117 -0.12863 -0.6704 0.039 0.01873 0.1041 0.556 0.53362 3.0177 1.4153 0.4576 3119583 ChemDiv3_004980 COc1ccc(cc1)c2c/c(=N\C(CC(C)C)C(=O)O)/c3cc(C)ccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C09 compound treatment 0.102 0.090374 0.4711 0.019 -0.00127 -0.0071 0.097 0.07462 0.422 0.5115 0.8088 3024959 ChemDiv3_004981 O=C(COn1c(=O)n(COC(=O)c2ccccc2)c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C10 compound treatment -0.017 -0.028626 -0.1492 0.076 0.05573 0.3097 -0.019 -0.04138 -0.234 -0.0424 -0.1021 1641003 ChemDiv3_004982 CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C11 compound treatment 0.034 0.022374 0.1166 -0.017 -0.03727 -0.2071 -0.075 -0.09738 -0.5507 -0.3702 -0.6172 3024961 ChemDiv3_004983 COC(=O)CN/1C(=S)N(C)C(=O)\C1=C\c2ccc(o2)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C12 compound treatment 0.052 0.040374 0.2104 -0.056 -0.07627 -0.4238 -0.192 -0.21438 -1.2124 -0.8232 -0.6325 3119584 ChemDiv3_004984 COC(=O)c1sc(c(C(=O)OC)c1C)S(=O)(=O)N2CCN(CC2)c3ccccc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C13 compound treatment 0.065 0.053374 0.2782 -0.128 -0.14827 -0.824 0.314 0.29162 1.6492 0.6371 0.3417 3024114 ChemDiv3_004985 CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C14 compound treatment 0.067 0.055374 0.2886 0.1 0.07973 0.4431 0.078 0.05562 0.3145 0.604 0.9818 3119715 ChemDiv3_004986 CN(C)c1ccc(/C=C/C(=O)\C=C\c2ccc3OCOc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C15 compound treatment 0.053 0.041374 0.2157 0.114 0.09373 0.5209 0.017 -0.0053798 -0.0304 0.4077 0.7221 3024117 ChemDiv3_004987 CN(C)c1nc(nc(n1)N(CC=C)C#N)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C16 compound treatment 0.106 0.094374 0.4919 -0.107 -0.12727 -0.7073 0.273 0.25062 1.4173 0.6939 0.4184 3119716 ChemDiv3_004988 S=C1NCN(Cc2ccccc2)CN1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C17 compound treatment 0.0 -0.011626 -0.0606 0.171 0.15073 0.8376 -0.248 -0.27038 -1.529 -0.4342 -0.2489 1723905 ChemDiv3_004989 COc1ccc(CN(CCC(c2ccco2)c3ccccc3)C(=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C18 compound treatment 0.052 0.040374 0.2104 0.0 -0.02027 -0.1126 0.088 0.06562 0.3711 0.2707 0.6135 3024121 ChemDiv3_004990 CC(C)C1N(CCCN1S(=O)(=O)c2ccc(C)cc2)/C(=N/S(=O)(=O)c3ccc(C)cc3)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C19 compound treatment -0.055 -0.066626 -0.3473 0.355 0.33473 1.8601 0.135 0.11262 0.6369 1.2412 0.6216 3119717 ChemDiv3_004991 O=S(=O)(C1c2ccccc2Oc3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C20 compound treatment -0.184 -0.19563 -1.0196 0.533 0.51273 2.8493 -0.065 -0.08738 -0.4941 0.7711 0.2515 1300285 ChemDiv3_004992 CC(Sc1cc(C)c2ccccc2n1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C21 compound treatment 0.157 0.14537 0.7577 0.107 0.08673 0.482 -0.034 -0.05638 -0.3188 0.5317 0.5579 3119718 ChemDiv3_004993 Clc1cccc(N/C=C/2\C(=O)Nc3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C22 compound treatment 0.0 -0.011626 -0.0606 0.041 0.02073 0.1152 0.026 0.0036202 0.0205 0.0433 0.329 3119719 ChemDiv3_004994 COC(=O)Cc1nn(c(O)c1/C=N/c2ccc(C)cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C23 mock treatment 0.885 0.87337 4.5522 0.19 0.16973 0.9432 0.018 -0.0043798 -0.0248 3.1585 0.6794 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 C24 mock treatment -0.266 -0.27763 -1.447 0.067 0.04673 0.2597 0.0 -0.02238 -0.1266 -0.7586 -0.5141 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D01 compound treatment 0.038 0.026374 0.1375 -0.006 -0.02627 -0.146 -0.054 -0.07638 -0.4319 -0.2543 -0.534 3024125 ChemDiv3_004995 CC(=C1C(=O)c2ccccc2C1=O)NCc3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D02 compound treatment 0.097 0.085374 0.445 0.018 -0.00227 -0.0126 -0.08 -0.10238 -0.579 -0.0846 -0.1159 3024172 ChemDiv3_004996 CN/1C(=S)N(C2CCCCC2)C(=O)\C1=C\c3cc(C)n(c3C)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D03 compound treatment -0.089 -0.10063 -0.5245 0.044 0.02373 0.1319 -0.168 -0.19038 -1.0766 -0.8483 -0.7041 1532710 ChemDiv3_004997 Cc1ccnc(SCC(=O)N2CCc3ccccc3C2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D04 compound treatment 0.034 0.022374 0.1166 -0.119 -0.13927 -0.7739 -0.104 -0.12638 -0.7147 -0.7921 -0.7474 3024176 ChemDiv3_004998 Cc1nn(C(=O)c2cc3CCCCc3s2)c(C)c1Sc4ccc(Br)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D05 compound treatment 0.045 0.033374 0.174 0.006 -0.01427 -0.0793 -0.006 -0.02838 -0.1605 -0.038 -0.1523 1871526 ChemDiv3_004999 Nc1nc(CSC(=S)N2CCCCC2)nc(Nc3ccccc3)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D06 compound treatment 0.142 0.13037 0.6795 0.028 0.00773 0.043 0.07 0.04762 0.2693 0.5726 0.782 3119720 ChemDiv3_005000 CCOc1ccccc1n2c(SCC(=O)c3ccc4OCCOc4c3)nc(O)cc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D07 compound treatment -0.031 -0.042626 -0.2222 -0.148 -0.16827 -0.9351 0.038 0.01562 0.0883 -0.6172 -0.6394 3024181 ChemDiv3_005001 Clc1cccc(c1)C2C3C(=O)c4ccccc4C3=NC5=C2C(=O)CCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D08 compound treatment 0.06 0.048374 0.2521 -0.329 -0.34927 -1.941 0.219 0.19662 1.1119 -0.3331 -0.148 3119721 ChemDiv3_005002 COC(=O)Nc1c(C)nc2n(C)c3ccccc3n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D09 compound treatment 0.024 0.012374 0.0645 -0.006 -0.02627 -0.146 0.024 0.0016202 0.0092 -0.0418 -0.2612 3119722 ChemDiv3_005003 CC/1=NN(C(=O)\C1=C\c2ccc3n(C)c(=O)n(C)c3c2)c4ccc(C)c(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D10 compound treatment -0.158 -0.16963 -0.8841 -0.025 -0.04527 -0.2516 0.216 0.19362 1.095 -0.0235 -0.0165 3024186 ChemDiv3_005004 Clc1ccccc1C(=O)NCCCn2ccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D11 compound treatment 0.036 0.024374 0.127 0.421 0.40073 2.2269 0.327 0.30462 1.7227 2.3537 0.8351 3119723 ChemDiv3_005005 Cc1cc(/C=C\2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1c4ccc(cc4)S(=O)(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D12 compound treatment -0.033 -0.044626 -0.2326 0.335 0.31473 1.749 0.349 0.32662 1.8471 1.9419 0.7602 1402147 ChemDiv3_005006 Cc1c(C)c2ccccc2n1CCc3ccc(C)nc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D13 compound treatment -0.039 -0.050626 -0.2639 0.031 0.01073 0.0596 -0.132 -0.15438 -0.873 -0.622 -0.6805 3024189 ChemDiv3_005007 CN1C(=O)/C(=C/c2ccc(Cl)cc2)/N(C)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D14 compound treatment -0.014 -0.025626 -0.1336 0.083 0.06273 0.3486 0.138 0.11562 0.6539 0.5017 0.6663 3024228 ChemDiv3_005008 Cc1nc2ncnn2c(O)c1NS(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D15 compound treatment 0.045 0.033374 0.174 -0.276 -0.29627 -1.6464 0.175 0.15262 0.8631 -0.3518 -0.1884 3119724 ChemDiv3_005009 COc1ccc(cc1)N(C2CC(=O)N(C2=O)c3ccc(OC)cc3)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D16 compound treatment 0.196 0.18437 0.961 -0.23 -0.25027 -1.3908 -0.066 -0.08838 -0.4998 -0.5367 -0.3045 3024235 ChemDiv3_005010 CCOC(=O)c1nc(Nc2cccc(C)c2C)c3ccccc3n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D17 compound treatment -0.019 -0.030626 -0.1596 0.118 0.09773 0.5431 0.03 0.0076202 0.0431 0.2463 0.4338 1305881 ChemDiv3_005011 COc1ccc(NC(=O)Nc2ccc3COC(=O)c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D18 compound treatment -0.057 -0.068626 -0.3577 -0.055 -0.07527 -0.4183 -0.322 -0.34438 -1.9475 -1.5724 -0.777 3119725 ChemDiv3_005012 CCc1ccc(Oc2c(oc3c(CN4CCCCC4)c(O)ccc3c2=O)C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D19 compound treatment 0.018 0.0063745 0.0332 0.177 0.15673 0.871 0.066 0.04362 0.2467 0.6645 0.7335 3024238 ChemDiv3_005013 CCn1c(S)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D20 compound treatment 0.052 0.040374 0.2104 0.257 0.23673 1.3155 0.157 0.13462 0.7613 1.3206 0.8606 1388420 ChemDiv3_005014 COC(=O)c1ccc(cc1)C2Nc3cccc4cccc(N2)c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D21 compound treatment -0.012 -0.023626 -0.1231 0.042 0.02173 0.1208 0.035 0.01262 0.0714 0.0398 0.2134 1523877 ChemDiv3_005015 CC(C)c1nc2ccccc2n1C(=O)c3ccccc3C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D22 compound treatment 0.022 0.010374 0.0541 -0.016 -0.03627 -0.2016 -0.159 -0.18138 -1.0257 -0.6774 -0.6471 3024241 ChemDiv3_005016 Cc1noc(C)c1CSc2ccc3ccccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D23 mock treatment -0.029 -0.040626 -0.2117 0.072 0.05173 0.2875 -0.018 -0.04038 -0.2284 -0.0881 -0.2079 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 D24 mock treatment -0.061 -0.072626 -0.3785 0.201 0.18073 1.0043 -0.143 -0.16538 -0.9353 -0.1787 -0.1255 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E01 compound treatment 0.071 0.059374 0.3095 0.31 0.28973 1.6101 -0.218 -0.24038 -1.3594 0.3234 0.1518 3119726 ChemDiv3_005017 CCc1ccc(cc1)C(=O)/C=C/Nc2ccc(C)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E02 compound treatment -0.026 -0.037626 -0.1961 0.021 7.2998E-4 0.0041 -0.137 -0.15938 -0.9013 -0.6313 -0.6844 3024284 ChemDiv3_005018 COc1ccc(/C=C\2/SC(=O)N(CC(=O)NCCO)C2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E03 compound treatment -0.24 -0.25163 -1.3115 0.12 0.09973 0.5542 -0.034 -0.05638 -0.3188 -0.6213 -0.4258 3119727 ChemDiv3_005019 Cc1cc(c2ccccc2)n3ncc(c4ccccc4)c3n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E04 compound treatment 0.0 -0.011626 -0.0606 -0.124 -0.14427 -0.8017 0.025 0.0026202 0.0148 -0.4893 -0.6085 3024286 ChemDiv3_005020 CC(=O)N1c2c(ccc3ccccc23)C(=CC1(C)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E05 compound treatment -0.099 -0.11063 -0.5766 -0.167 -0.18727 -1.0407 -0.173 -0.19538 -1.1049 -1.5717 -0.968 3119728 ChemDiv3_005021 O=C(NCc1ccccc1)C2CCN(CC2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E06 compound treatment 0.062 0.050374 0.2626 0.0 -0.02027 -0.1126 0.127 0.10462 0.5916 0.4281 0.6516 3119729 ChemDiv3_005022 COC(=O)c1ccc(Oc2nc(Nc3cccc(C)c3C)nc(n2)N4CCC(C)CC4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E07 compound treatment 0.034 0.022374 0.1166 0.42 0.39973 2.2214 0.007 -0.01538 -0.087 1.2996 0.5838 3024291 ChemDiv3_005023 COc1ccc(NCC(=O)n2c3ccccc3c4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E08 compound treatment 1.36 1.3484 5.9982 0.012 -0.00827 -0.046 2.615 2.5926 8.3392 8.2512 0.8032 3119730 ChemDiv3_005024 CCC(/N=c/1\cc(oc2ccc(C)cc12)c3ccc(OC)cc3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E09 compound treatment 0.037 0.025374 0.1323 -0.04 -0.06027 -0.3349 -0.182 -0.20438 -1.1558 -0.7843 -0.6479 3024295 ChemDiv3_005025 CCN1C(=O)/C(=N/O)/N(CC)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E10 compound treatment 0.065 0.053374 0.2782 0.006 -0.01427 -0.0793 0.076 0.05362 0.3032 0.2899 0.6918 1702577 ChemDiv3_005026 CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E11 compound treatment 0.057 0.045374 0.2365 0.007 -0.01327 -0.0737 -0.11 -0.13238 -0.7486 -0.3383 -0.429 3024297 ChemDiv3_005027 COC(=O)CN/1C(=S)N(C(=O)\C1=C\c2ccc(o2)c3ccc(Cl)cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E12 compound treatment -0.053 -0.064626 -0.3368 0.007 -0.01327 -0.0737 -0.085 -0.10738 -0.6073 -0.5876 -0.8415 3024299 ChemDiv3_005028 Clc1ccccc1CSc2nc(=O)cc[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E13 compound treatment -0.049 -0.060626 -0.316 0.082 0.06173 0.343 0.329 0.30662 1.734 1.0167 0.5662 3119731 ChemDiv3_005029 CC(C)n1c(=N)c(cc2c(=O)n3cccc(C)c3nc12)C(=O)NCCN4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E14 compound treatment 0.067 0.055374 0.2886 -0.039 -0.05927 -0.3294 -0.114 -0.13638 -0.7713 -0.4688 -0.5286 3119732 ChemDiv3_005030 COc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1COc4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E15 compound treatment 0.073 0.061374 0.3199 -0.209 -0.22927 -1.2741 0.0 -0.02238 -0.1266 -0.624 -0.4728 3024306 ChemDiv3_005031 CC(C)CCSc1nc(N)c2c(C)c(C)sc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E16 compound treatment -0.006 -0.017626 -0.0919 0.108 0.08773 0.4875 0.101 0.07862 0.4446 0.4851 0.7282 3119733 ChemDiv3_005032 Cc1cccc(c1)N2CN(Cc3ccco3)CNC2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E17 compound treatment 0.23 0.21837 1.1382 -0.22 -0.24027 -1.3352 0.482 0.45962 2.5992 1.3869 0.4423 3024308 ChemDiv3_005033 Cc1ccc(cc1)C(CC(=O)O)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E18 compound treatment 0.056 0.044374 0.2313 0.146 0.12573 0.6987 0.151 0.12862 0.7274 0.9569 0.9247 3119734 ChemDiv3_005034 Cc1nnc(s1)N2C(=N)S/C(=C\c3ccccc3Cl)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E19 compound treatment 0.096 0.084374 0.4398 -0.021 -0.04127 -0.2293 0.167 0.14462 0.8179 0.5937 0.6207 3024312 ChemDiv3_005035 Clc1ccc(N/C=C/2\Nc3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E20 compound treatment 1.519 1.5074 6.301 2.613 2.5927 8.1993 2.393 2.3706 8.0982 13.0473 0.9934 3119735 ChemDiv3_005036 Cc1cc(OCC[N+]2(C)CCCCC2)nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E21 compound treatment -0.098 -0.10963 -0.5714 0.03 0.00973 0.0541 0.067 0.04462 0.2523 -0.153 -0.244 3024315 ChemDiv3_005037 CC(C)N/C=C/1\C(=O)Nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E22 compound treatment -0.033 -0.044626 -0.2326 0.049 0.02873 0.1597 -0.138 -0.16038 -0.907 -0.5658 -0.5956 3119736 ChemDiv3_005038 COC(=O)CC/1=NN(C(=O)\C1=C\Nc2ccc(C)cc2)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E23 mock treatment 0.119 0.10737 0.5597 0.088 0.06773 0.3764 0.255 0.23262 1.3155 1.2999 0.8793 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 E24 mock treatment 0.041 0.029374 0.1531 0.113 0.09273 0.5153 0.117 0.09462 0.5351 0.6949 0.9161 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F01 compound treatment -0.027 -0.038626 -0.2013 0.183 0.16273 0.9043 0.069 0.04662 0.2636 0.5581 0.5794 3025240 ChemDiv3_005039 Sc1nnc(c2ccncc2)n1C3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F02 compound treatment 0.134 0.12237 0.6378 -0.194 -0.21427 -1.1907 -0.066 -0.08838 -0.4998 -0.6078 -0.422 3025241 ChemDiv3_005040 CCc1ccc(/C=C/2\NC(=S)N(C3CCCCC3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F03 compound treatment -0.067 -0.078626 -0.4098 0.306 0.28573 1.5878 0.0 -0.02238 -0.1266 0.6071 0.3691 1185203 ChemDiv3_005041 COc1ccc(CC(=O)N2c3ccccc3Sc4ccccc24)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F04 compound treatment -0.179 -0.19063 -0.9936 0.175 0.15473 0.8599 -0.014 -0.03638 -0.2057 -0.196 -0.1474 3025242 ChemDiv3_005042 Cc1nn(CO)c(C)c1Sc2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F05 compound treatment -0.145 -0.15663 -0.8164 0.113 0.09273 0.5153 -0.072 -0.09438 -0.5337 -0.482 -0.4369 3025243 ChemDiv3_005043 CCN(CC)C(=S)SCc1nc(N)nc(Nc2ccccc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F06 compound treatment -0.23 -0.24163 -1.2594 0.013 -0.00727 -0.0404 -0.227 -0.24938 -1.4103 -1.5647 -0.8273 3025244 ChemDiv3_005044 Cc1oc2cc(Br)c(O)c(Br)c2c1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F07 compound treatment -0.038 -0.049626 -0.2587 0.094 0.07373 0.4097 0.115 0.09262 0.5238 0.3896 0.5461 1429843 ChemDiv3_005045 COc1ccc(cc1)C(=O)OC2=C(C(=O)c3ccccc3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F08 compound treatment -0.074 -0.085626 -0.4463 0.145 0.12473 0.6931 0.033 0.01062 0.0601 0.1772 0.2144 3119737 ChemDiv3_005046 COc1ccc(cc1)n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F09 compound treatment 0.08 0.068374 0.3564 0.046 0.02573 0.143 0.037 0.01462 0.0827 0.336 0.8555 3025245 ChemDiv3_005047 Cn1nc(c2ccc(N3CCCCC3)c(NC(=O)c4ccccc4)c2)c5ccccc5c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F10 compound treatment 0.105 0.093374 0.4867 -0.026 -0.04627 -0.2571 -0.056 -0.07838 -0.4433 -0.1234 -0.1746 3119738 ChemDiv3_005048 CCOC(=O)C1C(C2CCOC2=O)c3c(OC1=O)ccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F11 compound treatment 0.089 0.077374 0.4033 -0.048 -0.06827 -0.3794 -0.142 -0.16438 -0.9296 -0.5229 -0.4833 3025246 ChemDiv3_005049 Clc1cccc(c1)N2C(=O)N/C(=C/c3ccccc3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F12 compound treatment -0.055 -0.066626 -0.3473 0.095 0.07473 0.4153 -0.034 -0.05638 -0.3188 -0.1448 -0.2305 1483558 ChemDiv3_005050 Brc1cccc2C(CC=C)NCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F13 compound treatment 0.116 0.10437 0.544 -0.042 -0.06227 -0.346 -0.238 -0.26038 -1.4725 -0.7358 -0.4578 1345308 ChemDiv3_005051 CCOC(=O)c1sc(NN)nc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F14 compound treatment 0.019 0.0073745 0.0384 0.068 0.04773 0.2652 0.023 6.2023E-4 0.0035 0.1774 0.6617 3119883 ChemDiv3_005052 FC(F)(F)c1cc(nc(SCC(=O)N2CCCCC2)c1C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F15 compound treatment -0.019 -0.030626 -0.1596 0.079 0.05873 0.3264 0.066 0.04362 0.2467 0.2387 0.5435 3025247 ChemDiv3_005053 Clc1ccccc1NC(=O)c2cc(nc3ccccc23)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F16 compound treatment -0.071 -0.082626 -0.4307 -0.109 -0.12927 -0.7184 -0.007 -0.02938 -0.1661 -0.7593 -0.8892 3119884 ChemDiv3_005054 COc1ccc(/C=C/2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F17 compound treatment -0.076 -0.087626 -0.4567 -0.013 -0.03327 -0.1849 0.141 0.11862 0.6708 0.0169 0.0203 1705934 ChemDiv3_005055 O=C(Nc1ccccc1)N2CCN3C(=O)c4ccccc4C23c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F18 compound treatment -0.289 -0.30063 -1.5669 -0.088 -0.10827 -0.6017 -0.286 -0.30838 -1.7439 -2.2589 -0.9333 3025248 ChemDiv3_005056 CCc1ccc(Oc2c(oc3c(CN(C)C)c(O)ccc3c2=O)C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F19 compound treatment -0.064 -0.075626 -0.3942 0.092 0.07173 0.3986 -0.112 -0.13438 -0.7599 -0.4362 -0.4619 1681490 ChemDiv3_005057 CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F20 compound treatment -0.081 -0.092626 -0.4828 -0.018 -0.03827 -0.2127 -0.047 -0.06938 -0.3924 -0.628 -0.9553 3119885 ChemDiv3_005058 COc1ccc(cc1)c2c3C(=O)CC(C)(C)Cc3nc4sc(C(=O)N5CCCCCC5)c(N)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F21 compound treatment -0.006 -0.017626 -0.0919 0.027 0.00673 0.0374 -0.088 -0.11038 -0.6242 -0.3918 -0.62 1693546 ChemDiv3_005059 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F22 compound treatment 0.006 -0.0056255 -0.0293 0.124 0.10373 0.5764 0.02 -0.0023798 -0.0135 0.3081 0.5337 3025249 ChemDiv3_005060 Cc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F23 mock treatment 0.071 0.059374 0.3095 0.079 0.05873 0.3264 0.08 0.05762 0.3259 0.5552 0.9997 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 F24 mock treatment -0.127 -0.13863 -0.7225 -0.129 -0.14927 -0.8295 -0.039 -0.06138 -0.3471 -1.0965 -0.9505 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G01 compound treatment 0.169 0.15737 0.8203 -0.329 -0.34927 -1.941 0.166 0.14362 0.8122 -0.1781 -0.0789 3119886 ChemDiv3_005061 O/C(=C\1/CCC/C(=C\c2ccccc2)/C1=O)/C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G02 compound treatment -0.105 -0.11663 -0.6079 0.111 0.09073 0.5042 -0.077 -0.09938 -0.562 -0.3843 -0.3965 1563591 ChemDiv3_005062 S=C1NC2(CCS1)Oc3ccccc3C4CC(=NN42)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G03 compound treatment 0.183 0.17137 0.8932 0.065 0.04473 0.2486 0.071 0.04862 0.275 0.818 0.8458 3025250 ChemDiv3_005063 CCOC(=O)c1cnc2c(C#N)c(C)nn2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G04 compound treatment 0.011 -6.2552E-4 -0.0033 0.175 0.15473 0.8599 0.34 0.31762 1.7962 1.5316 0.7691 3119887 ChemDiv3_005064 CC(=C)CC(Nc1ccccc1F)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G05 compound treatment 0.04 0.028374 0.1479 -0.271 -0.29127 -1.6186 0.018 -0.0043798 -0.0248 -0.8634 -0.5312 3025251 ChemDiv3_005065 CCOc1ccc(NC(=O)C2CCN(CC2)C(=O)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G06 compound treatment -0.067 -0.078626 -0.4098 0.053 0.03273 0.1819 0.019 -0.0033798 -0.0191 -0.1426 -0.3178 3119888 ChemDiv3_005066 FC(F)(F)c1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G07 compound treatment -0.058 -0.069626 -0.3629 0.116 0.09573 0.532 0.091 0.06862 0.3881 0.3217 0.4278 3025252 ChemDiv3_005067 Cc1ccc(cc1)c2csc(n2)N3C(=O)CN=C3SCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G08 compound treatment -0.169 -0.18063 -0.9415 -0.187 -0.20727 -1.1518 -0.02 -0.04238 -0.2397 -1.3469 -0.8939 3119889 ChemDiv3_005068 COc1ccc(/N=c/2\cc(oc3ccc(O)cc23)c4ccc(OC)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G09 compound treatment -0.041 -0.052626 -0.2743 -0.012 -0.03227 -0.1793 -0.019 -0.04138 -0.234 -0.397 -0.9859 3119890 ChemDiv3_005069 CN/1C(=O)/C(=C/c2cccs2)/S\C1=N\c3ccc(cc3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G10 compound treatment 0.074 0.062374 0.3251 -0.113 -0.13327 -0.7406 -0.065 -0.08738 -0.4941 -0.5252 -0.5541 1551423 ChemDiv3_005070 CCN(CC)CC(O)COc1ccc(cc1C(C)(C)CC)C(C)(C)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G11 compound treatment 0.017 0.0053745 0.028 0.7 0.67973 3.7774 0.813 0.79062 4.4711 4.7784 0.8164 3119891 ChemDiv3_005071 CCN1C(=O)/C(=C/c2ccco2)/NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G12 compound treatment -0.162 -0.17363 -0.905 -0.315 -0.33527 -1.8632 -0.207 -0.22938 -1.2972 -2.3471 -0.9604 1281346 ChemDiv3_005072 COc1ccc(NC(=O)c2cc[nH]n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G13 compound treatment 0.299 0.28737 1.4979 0.288 0.26773 1.4878 -0.145 -0.16738 -0.9466 1.1773 0.5088 3119892 ChemDiv3_005073 CC(=O)N1N=C(OC1c2cccnc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G14 compound treatment 0.135 0.12337 0.6431 0.051 0.03073 0.1708 -0.11 -0.13238 -0.7486 0.0376 0.0376 3025253 ChemDiv3_005074 COC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G15 compound treatment -0.035 -0.046626 -0.243 0.183 0.16273 0.9043 -0.019 -0.04138 -0.234 0.2467 0.2556 1321601 ChemDiv3_005075 CC(C)Nc1nc(NC(C)C)nc(n1)N(n2cnnc2)S(=O)(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G16 compound treatment -0.011 -0.022626 -0.1179 0.172 0.15173 0.8432 0.644 0.62162 3.5154 2.4483 0.6769 3025254 ChemDiv3_005076 CC(C)CN1CN(Cc2ccco2)CNC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G17 compound treatment -0.033 -0.044626 -0.2326 0.106 0.08573 0.4764 -0.172 -0.19438 -1.0993 -0.4939 -0.4047 3119893 ChemDiv3_005077 CC1(C)CC(CCC(=O)NC(=S)Nc2ccccc2Cl)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G18 compound treatment 0.035 0.023374 0.1218 0.0 -0.02027 -0.1126 -0.074 -0.09638 -0.545 -0.3094 -0.543 3119894 ChemDiv3_005078 COC(=O)c1ccc(Oc2nc(Nc3ccccc3F)nc(n2)N4CCCCC4C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G19 compound treatment -0.074 -0.085626 -0.4463 0.033 0.01273 0.0707 -0.093 -0.11538 -0.6525 -0.5935 -0.7478 3025255 ChemDiv3_005079 Clc1c2C(=O)/C(=C/NCc3ccccc3)/Nc2ccc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G20 compound treatment -0.166 -0.17763 -0.9258 -0.05 -0.07027 -0.3905 0.308 0.28562 1.6152 0.1726 0.0907 3119895 ChemDiv3_005080 CN1CCc2c(C1=O)n(CC(O)Cn3nc(C)c(Br)c3C)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G21 compound treatment -0.058 -0.069626 -0.3629 0.038 0.01773 0.0985 -0.07 -0.09238 -0.5224 -0.4543 -0.7057 3025256 ChemDiv3_005081 COc1ccc(/C=C/C(=O)CC(=O)c2ccccc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G22 compound treatment -0.012 -0.023626 -0.1231 -0.072 -0.09227 -0.5128 0.125 0.10262 0.5803 -0.0321 -0.0409 3119896 ChemDiv3_005082 O=C1OC(N2CCN(CCNC=C3C(=O)CC(CC3=O)c4ccccc4)CC2)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G23 mock treatment -0.012 -0.023626 -0.1231 0.275 0.25473 1.4156 0.036 0.01362 0.077 0.7907 0.5556 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 G24 mock treatment -0.045 -0.056626 -0.2951 -0.025 -0.04527 -0.2516 0.164 0.14162 0.8009 0.1467 0.1649 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H01 compound treatment -0.218 -0.22963 -1.1969 0.013 -0.00727 -0.0404 0.064 0.04162 0.2354 -0.5784 -0.474 3025257 ChemDiv3_005083 CC1(C)CC(CC(C)(C)N1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H02 compound treatment 0.007 -0.0046255 -0.0241 -0.012 -0.03227 -0.1793 -0.045 -0.06738 -0.381 -0.3375 -0.8 3119897 ChemDiv3_005084 CCC1=[N+]([O-])C(C)(N(O)C1(C)C)/C(=N\O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H03 compound treatment 0.113 0.10137 0.5284 0.122 0.10173 0.5653 -0.09 -0.11238 -0.6355 0.2645 0.2642 1599271 ChemDiv3_005085 Cc1ccc(SCC(=O)n2c3ccccc3c4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H04 compound treatment -0.043 -0.054626 -0.2847 -0.054 -0.07427 -0.4127 -0.048 -0.07038 -0.398 -0.6325 -0.988 3119898 ChemDiv3_005086 CCN1C(=O)/C(=C\c2cccc3C(=O)c4ccccc4-c32)/OC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H05 compound treatment -0.031 -0.042626 -0.2222 0.0 -0.02027 -0.1126 -0.116 -0.13838 -0.7826 -0.6451 -0.7855 3119899 ChemDiv3_005087 Cc1ccc(Nc2nc(N)nc(CC(=O)CSc3nc4ccccc4s3)n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H06 compound treatment 0.003 -0.0086255 -0.045 -0.065 -0.08527 -0.4739 -0.242 -0.26438 -1.4951 -1.1627 -0.741 3025258 ChemDiv3_005088 CCOC(=O)c1nc(N)c(=O)n(n1)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H07 compound treatment -0.012 -0.023626 -0.1231 0.018 -0.00227 -0.0126 -0.169 -0.19138 -1.0823 -0.7032 -0.6456 1535790 ChemDiv3_005089 Cc1ccc(cc1)C(=O)OC2=C(C(=O)c3ccccc3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H08 compound treatment -0.314 -0.32563 -1.6972 0.156 0.13573 0.7543 0.027 0.0046202 0.0261 -0.5293 -0.285 3025259 ChemDiv3_005090 O=C1c2ncn(c2C(=O)c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H09 compound treatment -0.164 -0.17563 -0.9154 -0.019 -0.03927 -0.2182 -0.023 -0.04538 -0.2566 -0.8027 -0.8229 3119900 ChemDiv3_005091 CS(=O)(=O)Nc1cc(ccc1N2CCOCC2)c3nnc(Nc4ccccc4)c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H10 compound treatment 0.028 0.016374 0.0853 0.028 0.00773 0.043 0.055 0.03262 0.1845 0.1806 0.8692 3025260 ChemDiv3_005092 CCOC(=O)C1C(c2cc(Br)ccc2OC1=O)C3(CCCCC3)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H11 compound treatment 0.018 0.0063745 0.0332 0.137 0.11673 0.6487 0.302 0.27962 1.5813 1.3067 0.7644 3119901 ChemDiv3_005093 CCN(CC)c1ccc(cc1)n2c(C)cc(/C=C\3/NC(=O)N(Cc4ccccc4F)C3=O)c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H12 compound treatment -0.08 -0.091626 -0.4776 -0.11 -0.13027 -0.7239 -0.02 -0.04238 -0.2397 -0.8321 -0.9247 1277443 ChemDiv3_005094 COc1ccc(cc1)n2c(N)c(c3nc4ccccc4s3)c5nc(C#N)c(C#N)nc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H13 compound treatment 0.151 0.13937 0.7265 -0.156 -0.17627 -0.9796 -0.071 -0.09338 -0.5281 -0.451 -0.3394 3119902 ChemDiv3_005095 CCN1C(=O)/C(=C/c2ccc(Cl)cc2)/NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H14 compound treatment -0.02 -0.031626 -0.1648 0.839 0.81873 4.5498 -0.095 -0.11738 -0.6638 2.1484 0.467 1602494 ChemDiv3_005096 O=C(CSc1nc2CCCCc2cc1C#N)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H15 compound treatment 0.119 0.10737 0.5597 -0.239 -0.25927 -1.4408 0.026 0.0036202 0.0205 -0.4969 -0.3215 3025261 ChemDiv3_005097 Cc1ccc(C)c(NC(CC(=O)c2ccccc2)C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H16 compound treatment 0.025 0.013374 0.0697 -0.035 -0.05527 -0.3071 -0.346 -0.36838 -2.0833 -1.3399 -0.6359 3119903 ChemDiv3_005098 COc1ccc(/C=C/2\Oc3cc(OCc4cccc(C)c4)ccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H17 compound treatment 0.012 3.7448E-4 0.002 0.006 -0.01427 -0.0793 -0.019 -0.04138 -0.234 -0.1798 -0.7275 1119051 ChemDiv3_005099 CC1(C)NC(=O)N(CC(O)Cn2c3ccccc3c4ccccc24)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H18 compound treatment -0.128 -0.13963 -0.7278 -0.078 -0.09827 -0.5461 -0.091 -0.11338 -0.6412 -1.1057 -0.9933 3025262 ChemDiv3_005100 COc1ccc(CCNC(=O)COc2ccc3c(=O)c(coc3c2)c4ccccc4)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H19 compound treatment -0.135 -0.14663 -0.7642 -0.05 -0.07027 -0.3905 0.046 0.02362 0.1336 -0.5896 -0.6788 3120046 ChemDiv3_005101 Clc1ccc(CSc2nc3ccccc3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H20 compound treatment -0.282 -0.29363 -1.5304 -0.201 -0.22127 -1.2296 -0.055 -0.07738 -0.4376 -1.8462 -0.9179 3025263 ChemDiv3_005102 Cc1nc2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H21 compound treatment 0.074 0.062374 0.3251 0.19 0.16973 0.9432 -0.006 -0.02838 -0.1605 0.6396 0.633 3120047 ChemDiv3_005103 CS(=O)(=O)N1CCC(CC1)C(=O)NCCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H22 compound treatment -0.006 -0.017626 -0.0919 -0.065 -0.08527 -0.4739 0.042 0.01962 0.111 -0.2626 -0.5301 3120048 ChemDiv3_005104 O=C(CSc1nnc2ccccn12)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H23 mock treatment -0.094 -0.10563 -0.5505 -0.093 -0.11327 -0.6295 0.049 0.02662 0.1505 -0.5944 -0.6995 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 H24 mock treatment -0.013 -0.024626 -0.1284 0.039 0.01873 0.1041 0.007 -0.01538 -0.087 -0.0642 -0.3439 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I01 compound treatment 0.243 0.23137 1.206 -0.161 -0.18127 -1.0073 -0.051 -0.07338 -0.415 -0.1249 -0.0769 1405649 ChemDiv3_005105 COc1cccc(NC(=O)COc2ccc(cc2)N3CC(CC3=O)C(=O)NCC(C)C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I02 compound treatment 0.089 0.077374 0.4033 0.092 0.07173 0.3986 -0.304 -0.32638 -1.8457 -0.6027 -0.3121 1546533 ChemDiv3_005106 Cc1ccc(cc1)N2C(=O)C3Sc4[nH]c(=O)sc4C(C3C2=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I03 compound treatment -0.141 -0.15263 -0.7955 -0.299 -0.31927 -1.7742 -0.088 -0.11038 -0.6242 -1.844 -0.903 1209298 ChemDiv3_005107 CCOC(=O)c1cnc2c(cnn2c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I04 compound treatment -0.084 -0.095626 -0.4984 0.038 0.01773 0.0985 0.164 0.14162 0.8009 0.2315 0.2441 1582005 ChemDiv3_005108 Cc1ccc(cc1)N2CC3(OC4C=C3)C(C4C(=O)O)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I05 compound treatment 0.456 0.44437 2.3162 0.692 0.67173 3.7329 0.034 0.01162 0.0657 3.5304 0.8035 3120049 ChemDiv3_005109 CCc1ccc(NC(=O)C2CCN(CC2)C(=O)c3ccccc3C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I06 compound treatment 0.043 0.031374 0.1635 0.119 0.09873 0.5487 -0.1 -0.12238 -0.6921 0.0116 0.0129 3025264 ChemDiv3_005110 Brc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I07 compound treatment 0.079 0.067374 0.3512 0.092 0.07173 0.3986 0.208 0.18562 1.0497 1.0389 0.8831 3120050 ChemDiv3_005111 N/C(=N\c1nc(=O)c2CCCCc2[nH]1)/Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I08 compound treatment -0.075 -0.086626 -0.4515 1.602 1.5817 6.8349 -0.367 -0.38938 -2.202 2.4141 0.3355 3120051 ChemDiv3_005112 COc1ccc(cc1)c2c/c(=N\c3ccc(C)cc3C)/c4cc(O)ccc4o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I09 compound treatment -0.006 -0.017626 -0.0919 0.036 0.01573 0.0874 -0.13 -0.15238 -0.8617 -0.5001 -0.5742 3025265 ChemDiv3_005113 CCN/1C(=O)CS\C1=N\c2cccc(c2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I10 compound treatment 0.099 0.087374 0.4554 0.069 0.04873 0.2708 0.104 0.08162 0.4616 0.6858 0.9759 1298232 ChemDiv3_005114 O=C(Oc1cccc2cccnc12)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I11 compound treatment -0.138 -0.14963 -0.7799 -0.173 -0.19327 -1.074 -0.107 -0.12938 -0.7317 -1.4928 -0.9849 3120052 ChemDiv3_005115 CCCCN1C(=O)S/C(=C\c2cc(C)n(C)c2C)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I12 compound treatment -0.043 -0.054626 -0.2847 0.033 0.01273 0.0707 -0.051 -0.07338 -0.415 -0.3631 -0.7145 1336653 ChemDiv3_005116 CCC(=O)n1ccc(n1)C(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I13 compound treatment 0.05 0.038374 0.2 0.376 0.35573 1.9768 -0.014 -0.03638 -0.2057 1.138 0.5697 3025316 ChemDiv3_005117 CC(=O)N1N=C(OC21CCCC2)c3ccc4ccccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I14 compound treatment -0.051 -0.062626 -0.3264 -0.169 -0.18927 -1.0518 -0.196 -0.21838 -1.235 -1.5087 -0.9118 3025317 ChemDiv3_005118 Cc1ccc(cc1)C2NC(=S)NC(=C2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I15 compound treatment -0.032 -0.043626 -0.2274 0.065 0.04473 0.2486 -0.034 -0.05638 -0.3188 -0.1718 -0.3705 3025318 ChemDiv3_005119 COC(=O)NCCOc1nc(nc(n1)N(C)C)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I16 compound treatment -0.036 -0.047626 -0.2482 -0.07 -0.09027 -0.5016 0.09 0.06762 0.3824 -0.2122 -0.313 3025319 ChemDiv3_005120 CCN1CNC(=S)N(C1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I17 compound treatment -0.057 -0.068626 -0.3577 -0.034 -0.05427 -0.3016 0.08 0.05762 0.3259 -0.1925 -0.3376 3025320 ChemDiv3_005121 CC(C)c1ccc(C)cc1OCC(=O)Nn2c(=O)[nH]c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I18 compound treatment -0.054 -0.065626 -0.3421 0.086 0.06573 0.3653 0.51 0.48762 2.7576 1.6055 0.5729 3025321 ChemDiv3_005122 CCN(CC)c1ccc(cc1)c2cc(C(=O)O)c3c(ccc4ccccc43)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I19 compound treatment -0.007 -0.018626 -0.0971 0.22 0.19973 1.1099 0.0 -0.02238 -0.1266 0.5117 0.4563 3025322 ChemDiv3_005123 O=C/1Nc2ccccc2\C1=C\NCCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I20 compound treatment 0.037 0.025374 0.1323 -0.38 -0.40027 -2.2244 -0.116 -0.13838 -0.7826 -1.6597 -0.7027 3120053 ChemDiv3_005124 CN1CCc2c(C1=O)n(CC(O)CNCc3ccccc3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I21 compound treatment -0.026 -0.037626 -0.1961 0.068 0.04773 0.2652 0.032 0.0096202 0.0544 0.0713 0.2133 3025323 ChemDiv3_005125 O=c1cc(/C=C/c2ccccc2)oc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I22 compound treatment 0.02 0.0083745 0.0436 0.075 0.05473 0.3041 0.142 0.11962 0.6765 0.5914 0.7959 3120054 ChemDiv3_005126 CCCNC(=O)CSc1c(c2ccccc2)c3cc(Cl)ccc3[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I23 mock treatment 0.056 0.044374 0.2313 0.151 0.13073 0.7265 0.107 0.08462 0.4785 0.8293 0.9212 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 I24 mock treatment 0.054 0.042374 0.2209 0.013 -0.00727 -0.0404 -0.021 -0.04338 -0.2453 -0.0374 -0.1126 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J01 compound treatment -0.333 -0.34463 -1.7963 0.208 0.18773 1.0432 -0.315 -0.33738 -1.9079 -1.5363 -0.5447 3025324 ChemDiv3_005127 CCCCc1ccc(NC(=S)NCCCN2CCOCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J02 compound treatment -0.045 -0.056626 -0.2951 -0.007 -0.02727 -0.1515 -0.351 -0.37338 -2.1115 -1.477 -0.691 3120055 ChemDiv3_005128 CC1=[N+]([O-])C2(CCCC2)[N+](=C1c3ccccc3)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J03 compound treatment 0.101 0.089374 0.4658 -0.071 -0.09127 -0.5072 -0.168 -0.19038 -1.0766 -0.6455 -0.505 3120056 ChemDiv3_005129 O=C(Nc1ccccc1)C2CC(=O)NC(=N2)Nc3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J04 compound treatment 0.019 0.0073745 0.0384 -0.063 -0.08327 -0.4627 0.097 0.07462 0.422 -0.0013 -0.0021 3025325 ChemDiv3_005130 Cc1ccc(NS(=O)(=O)c2ccc3n(C(=O)Oc4ccccc4)c(=O)oc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J05 compound treatment -0.108 -0.11963 -0.6235 0.062 0.04173 0.2319 0.013 -0.0093798 -0.053 -0.2567 -0.3847 3120057 ChemDiv3_005131 COc1ccc(Cl)cc1Nc2nc(N)nc(CC(=O)CSc3nc4ccccc4s3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J06 compound treatment 0.147 0.13537 0.7056 -0.227 -0.24727 -1.3741 0.494 0.47162 2.6671 1.1539 0.3744 1919405 ChemDiv3_005132 CCn1c2ccccc2c3nnc(S)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J07 compound treatment 0.039 0.027374 0.1427 -0.116 -0.13627 -0.7573 0.027 0.0046202 0.0261 -0.3397 -0.4406 3025326 ChemDiv3_005133 Fc1ccc(cc1)C2Sc3ccccc3N=C4C2C(=O)c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J08 compound treatment -0.049 -0.060626 -0.316 0.03 0.00973 0.0541 0.126 0.10362 0.586 0.1871 0.2801 3120058 ChemDiv3_005134 Cc1cccc(c1)C(=O)NCCCn2ccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J09 compound treatment 0.11 0.098374 0.5128 0.06 0.03973 0.2208 0.034 0.01162 0.0657 0.4614 0.8209 3120059 ChemDiv3_005135 CCN(CC)C(=O)COc1ccc(cc1)c2nnc(Nc3ccc(OC)c(c3)C(=O)N)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J10 compound treatment -0.025 -0.036626 -0.1909 0.037 0.01673 0.093 0.033 0.01062 0.0601 -0.0219 -0.0991 3025327 ChemDiv3_005136 CCCC(CCC)C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J11 compound treatment 0.019 0.0073745 0.0384 0.28 0.25973 1.4434 0.203 0.18062 1.0214 1.4452 0.8171 1472732 ChemDiv3_005137 Cc1ccc(NC2CS(=O)(=O)C=C2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J12 compound treatment 0.025 0.013374 0.0697 0.072 0.05173 0.2875 0.046 0.02362 0.1336 0.2833 0.873 1452920 ChemDiv3_005138 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J13 compound treatment -0.204 -0.21563 -1.1239 -0.269 -0.28927 -1.6075 -0.245 -0.26738 -1.5121 -2.45 -0.9892 3120060 ChemDiv3_005139 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccccc3)/N(C)C2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J14 compound treatment -0.216 -0.22763 -1.1864 -0.045 -0.06527 -0.3627 0.014 -0.0083798 -0.0474 -0.9218 -0.7424 3025328 ChemDiv3_005140 CC(C)c1ccccc1Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J15 compound treatment -0.024 -0.035626 -0.1857 -0.085 -0.10527 -0.585 -0.046 -0.06838 -0.3867 -0.6682 -0.9211 1599429 ChemDiv3_005141 COc1ccc(cc1)c2cc(C(=O)OCC(=O)c3ccccc3)c4cccc(Cl)c4n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J16 compound treatment 0.063 0.051374 0.2678 -0.035 -0.05527 -0.3071 0.137 0.11462 0.6482 0.3515 0.4591 3025329 ChemDiv3_005142 COc1cc(cc(OC)c1OC)C(=O)Oc2ccc3C(=O)COc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J17 compound treatment -0.087 -0.098626 -0.5141 0.024 0.00373 0.0207 0.065 0.04262 0.241 -0.1457 -0.2564 3120061 ChemDiv3_005143 COCn1c(nc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J18 compound treatment -0.124 -0.13563 -0.7069 0.553 0.53273 2.9605 -0.006 -0.02838 -0.1605 1.2084 0.3965 1585270 ChemDiv3_005144 CCCc1cc(ccn1)c2nc(cs2)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J19 compound treatment 0.013 0.0013745 0.0072 0.049 0.02873 0.1597 -0.034 -0.05638 -0.3188 -0.0878 -0.2461 3025330 ChemDiv3_005145 COc1ccc(CSc2nc3ccccc3s2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J20 compound treatment 0.133 0.12137 0.6326 0.07 0.04973 0.2764 -0.019 -0.04138 -0.234 0.3897 0.5346 3120062 ChemDiv3_005146 Cc1nnc(SCCC(=O)Nc2cccc(c2)c3nc4ccccc4s3)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J21 compound treatment 0.013 0.0013745 0.0072 0.026 0.00573 0.0318 0.007 -0.01538 -0.087 -0.0277 -0.2981 3025331 ChemDiv3_005147 CN/1C(=S)N(C2CCCCC2)C(=O)\C1=C\c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J22 compound treatment 0.047 0.035374 0.1844 0.085 0.06473 0.3597 -0.02 -0.04238 -0.2397 0.1758 0.374 3120063 ChemDiv3_005148 O=C(CCSc1nnc2ccccn12)Nc3cccc(c3)c4nc5ccccc5s4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J23 mock treatment 0.096 0.084374 0.4398 0.11 0.08973 0.4986 -0.024 -0.04638 -0.2623 0.3904 0.5462 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 J24 mock treatment 0.019 0.0073745 0.0384 0.006 -0.01427 -0.0793 -0.007 -0.02938 -0.1661 -0.1195 -0.6355 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K01 compound treatment 0.08 0.068374 0.3564 0.186 0.16573 0.921 -0.057 -0.07938 -0.4489 0.4783 0.4409 3120064 ChemDiv3_005149 COc1ccc(cc1)N2CC(CC2=O)C(=O)OCC(=O)Nc3ccccc3C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K02 compound treatment 0.007 -0.0046255 -0.0241 -0.447 -0.46727 -2.5967 -0.083 -0.10538 -0.5959 -1.8572 -0.6971 3025332 ChemDiv3_005150 Cc1ccccc1NC(CC=C)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K03 compound treatment 0.036 0.024374 0.127 -0.006 -0.02627 -0.146 -0.046 -0.06838 -0.3867 -0.2342 -0.5416 3025333 ChemDiv3_005151 CC(C)(C)c1ccc(cc1)c2cc3ncc(c(N)n3n2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K04 compound treatment 0.198 0.18637 0.9714 0.406 0.38573 2.1436 0.114 0.09162 0.5181 2.0976 0.8704 1246311 ChemDiv3_005152 OC(=O)C1C2OC3(CN(CCc4ccccc4)C(=O)C13)C=C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K05 compound treatment 0.124 0.11237 0.5857 -0.013 -0.03327 -0.1849 0.181 0.15862 0.897 0.7493 0.6892 3120065 ChemDiv3_005153 CC(C)CNC(=O)C1CCN(CC1)C(=O)c2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K06 compound treatment -0.046 -0.057626 -0.3004 0.0 -0.02027 -0.1126 0.167 0.14462 0.8179 0.2337 0.2661 1524928 ChemDiv3_005154 Cc1ccc(cc1)c2csc3ncnc(NCCC(=O)O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K07 compound treatment -0.093 -0.10463 -0.5453 -0.044 -0.06427 -0.3572 -0.119 -0.14138 -0.7995 -0.9827 -0.9526 3120066 ChemDiv3_005155 COc1cc(OC)cc(c1)C2=NC(C)(C)CO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K08 compound treatment 0.149 0.13737 0.716 10.703 10.683 11.0605 0.123 0.10062 0.569 7.1277 0.6422 1424113 ChemDiv3_005156 CC(C)Oc1ccccc1Nc2ncnc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K09 compound treatment 0.006 -0.0056255 -0.0293 0.176 0.15573 0.8654 -0.1 -0.12238 -0.6921 0.0831 0.075 3120067 ChemDiv3_005157 Oc1ccc(/C=C/2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K10 compound treatment -0.006 -0.017626 -0.0919 0.0 -0.02027 -0.1126 0.019 -0.0033798 -0.0191 -0.1291 -0.8807 3120068 ChemDiv3_005158 COc1ccc(CCN2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K11 compound treatment 0.106 0.094374 0.4919 0.172 0.15173 0.8432 0.025 0.0026202 0.0148 0.7794 0.7983 3025334 ChemDiv3_005159 C=CCn1cc(C=C2C(=O)OC(OC2=O)c3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K12 compound treatment -0.185 -0.19663 -1.0249 -0.087 -0.10727 -0.5961 -0.052 -0.07438 -0.4206 -1.1787 -0.937 1125429 ChemDiv3_005160 Clc1ccc(C(=O)n2ccc(n2)C(=O)N3CCCCC3)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K13 compound treatment -0.136 -0.14763 -0.7695 -0.096 -0.11627 -0.6461 0.426 0.40362 2.2825 0.5005 0.2007 3025335 ChemDiv3_005161 O=C(Nc1cccc2cccnc12)/C=C/c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K14 compound treatment -0.076 -0.087626 -0.4567 -0.148 -0.16827 -0.9351 0.175 0.15262 0.8631 -0.3053 -0.2258 3117769 ChemDiv3_005162 CC1C/C(=C\c2ccc(Cl)cc2)/C3=C(C1)C(NC(=S)N3)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K15 compound treatment -0.012 -0.023626 -0.1231 0.018 -0.00227 -0.0126 -0.135 -0.15738 -0.89 -0.5922 -0.6591 1289908 ChemDiv3_005163 CCNc1nc(Oc2ccc(cc2)C(=O)OC)nc(SC)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K16 compound treatment -0.115 -0.12663 -0.66 0.015 -0.00527 -0.0293 -0.034 -0.05638 -0.3188 -0.582 -0.7934 3117770 ChemDiv3_005164 CCN1CNC(=S)N(C1)C2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K17 compound treatment 0.023 0.011374 0.0593 0.228 0.20773 1.1544 0.0 -0.02238 -0.1266 0.6276 0.5398 1050895 ChemDiv3_005165 Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K18 compound treatment -0.082 -0.093626 -0.488 -0.09 -0.11027 -0.6128 -0.006 -0.02838 -0.1605 -0.7282 -0.9107 3117771 ChemDiv3_005166 Cc1ccc(NC(=O)CCn2nnc(n2)c3ccc(OCc4ccccc4F)cc3)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K19 compound treatment -0.077 -0.088626 -0.4619 -0.112 -0.13227 -0.735 0.336 0.31362 1.7736 0.3329 0.1686 3025336 ChemDiv3_005167 Cc1ccccc1N/C=C/2\C(=O)Nc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K20 compound treatment 0.15 0.13837 0.7212 0.268 0.24773 1.3767 0.019 -0.0033798 -0.0191 1.2002 0.7722 3117772 ChemDiv3_005168 O=C1OC(N2CCc3ccccc3C2)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K21 compound treatment -0.167 -0.17863 -0.931 0.071 0.05073 0.2819 -0.152 -0.17438 -0.9861 -0.9441 -0.6816 3117773 ChemDiv3_005169 Cc1ccc(cc1)c2cc(=O)c3ccc4ccccc4c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K22 compound treatment 0.127 0.11537 0.6014 0.037 0.01673 0.093 -0.019 -0.04138 -0.234 0.2658 0.4076 3025337 ChemDiv3_005170 Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc2ccc(cc2)c3nc4ccc(C)cc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K23 mock treatment -0.068 -0.079626 -0.415 0.06 0.03973 0.2208 -0.191 -0.21338 -1.2067 -0.8088 -0.6246 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 K24 mock treatment 0.056 0.044374 0.2313 0.117 0.09673 0.5375 0.006 -0.01638 -0.0926 0.3904 0.6589 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L01 compound treatment -0.171 -0.18263 -0.9519 0.007 -0.01327 -0.0737 -0.13 -0.15238 -0.8617 -1.0897 -0.8473 3117774 ChemDiv3_005171 NS(=O)(=O)c1ccc(NC(=S)N2CCc3ccccc3C2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L02 compound treatment -0.048 -0.059626 -0.3108 0.069 0.04873 0.2708 -0.036 -0.05838 -0.3301 -0.2137 -0.4046 3025338 ChemDiv3_005172 CCC1(C)[N+](=C(C)C(=[N+]1[O-])c2ccccc2)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L03 compound treatment -0.044 -0.055626 -0.2899 -0.065 -0.08527 -0.4739 0.399 0.37662 2.1299 0.7887 0.3583 3117775 ChemDiv3_005173 CCOc1ccc2NC(C)(C)c3ss/c(=N\c4ccc(NC(=O)C)cc4)/c3-c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L04 compound treatment 0.119 0.10737 0.5597 -0.474 -0.49427 -2.7467 0.069 0.04662 0.2636 -1.1105 -0.3944 3117776 ChemDiv3_005174 CC(C)Cn1c2ccc(Br)cc2c3nc4ccccc4nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L05 compound treatment -0.049 -0.060626 -0.316 -0.006 -0.02627 -0.146 -0.081 -0.10338 -0.5846 -0.6043 -0.8881 1871645 ChemDiv3_005175 COc1ccc(CC(=O)N(CC=C)c2nnc(s2)c3ccc(Cl)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L06 compound treatment -0.247 -0.25863 -1.348 -0.045 -0.06527 -0.3627 -0.076 -0.09838 -0.5564 -1.3089 -0.871 3117777 ChemDiv3_005176 CCc1ccc2[nH]c3nc(S)nnc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L07 compound treatment 0.182 0.17037 0.888 -0.177 -0.19727 -1.0963 0.258 0.23562 1.3325 0.6491 0.3345 3117778 ChemDiv3_005177 CCc1ccc(cc1)N2NC(=O)/C(=C/c3ccc4n(C)c(=O)n(C)c4c3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L08 compound treatment -0.045 -0.056626 -0.2951 0.04 0.01973 0.1096 0.186 0.16362 0.9253 0.4271 0.437 3025339 ChemDiv3_005178 CC(CN1C(C)CCCC1C)OC(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L09 compound treatment -0.022 -0.033626 -0.1753 0.071 0.05073 0.2819 0.036 0.01362 0.077 0.106 0.3112 3117779 ChemDiv3_005179 O=C/1NC(=S)S\C1=C/c2c(NCc3ccco3)nc4ccccn4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L10 compound treatment 0.091 0.079374 0.4137 0.102 0.08173 0.4542 0.087 0.06462 0.3654 0.7121 0.9961 3025340 ChemDiv3_005180 CCC(=O)Oc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L11 compound treatment 0.048 0.036374 0.1896 -0.023 -0.04327 -0.2405 0.05 0.02762 0.1562 0.0608 0.1769 3117780 ChemDiv3_005181 COC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L12 compound treatment -0.02 -0.031626 -0.1648 0.029 0.00873 0.0485 -0.053 -0.07538 -0.4263 -0.3133 -0.6816 3025341 ChemDiv3_005182 OC(=O)c1cc(/N=C\c2ccc(N3CCCC3)c(F)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L13 compound treatment -0.151 -0.16263 -0.8476 0.0 -0.02027 -0.1126 -0.124 -0.14638 -0.8278 -1.0324 -0.8674 3117781 ChemDiv3_005183 CN/1C(=S)N(C(=O)\C1=C\c2ccccc2O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L14 compound treatment -0.014 -0.025626 -0.1336 -0.038 -0.05827 -0.3238 0.111 0.08862 0.5012 0.0253 0.0413 3117782 ChemDiv3_005184 Cc1ccc(Oc2coc3cc(OCC(=O)N4CCCCC4)ccc3c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L15 compound treatment 0.09 0.078374 0.4085 1.381 1.3607 6.3994 -0.118 -0.14038 -0.7939 3.4722 0.5374 3025342 ChemDiv3_005185 CCCC/1=NN(C(=O)\C1=C\c2ccc3OCOc3c2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L16 compound treatment 0.0 -0.011626 -0.0606 -0.118 -0.13827 -0.7684 -0.031 -0.05338 -0.3019 -0.6529 -0.7887 1224155 ChemDiv3_005186 CC(Oc1ccc2c(=O)c(coc2c1)c3ccc(Cl)cc3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L17 compound treatment 0.228 0.21637 1.1278 -0.087 -0.10727 -0.5961 0.038 0.01562 0.0883 0.358 0.2799 1151018 ChemDiv3_005187 CCCCn1c(nc2ccccc12)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L18 compound treatment -0.183 -0.19463 -1.0144 0.019 -0.00127 -0.0071 -0.102 -0.12438 -0.7034 -0.9959 -0.8067 3117783 ChemDiv3_005188 Cc1ncc2COC(C)(C)OCc2c1OC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L19 compound treatment 0.018 0.0063745 0.0332 0.272 0.25173 1.3989 -0.103 -0.12538 -0.709 0.4175 0.2661 3025343 ChemDiv3_005189 NC(=O)/C(=C\1/Oc2c(S1)cc(O)cc2c3ccccc3)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L20 compound treatment 0.054 0.042374 0.2209 -0.046 -0.06627 -0.3683 0.007 -0.01538 -0.087 -0.1353 -0.3088 3117784 ChemDiv3_005190 COc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L21 compound treatment -0.011 -0.022626 -0.1179 -0.023 -0.04327 -0.2405 -0.133 -0.15538 -0.8787 -0.7142 -0.7775 3117785 ChemDiv3_005191 CCCN1C(=O)/C(=C/c2ccc(CC)cc2)/NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L22 compound treatment -0.019 -0.030626 -0.1596 0.071 0.05073 0.2819 0.043 0.02062 0.1166 0.1379 0.4006 3025344 ChemDiv3_005192 O=C(CSc1nnc2ccc3ccccc3n12)NCC4CCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L23 mock treatment -0.049 -0.060626 -0.316 -0.006 -0.02627 -0.146 0.204 0.18162 1.0271 0.3263 0.3009 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 L24 mock treatment -0.032 -0.043626 -0.2274 0.03 0.00973 0.0541 0.066 0.04362 0.2467 0.0424 0.1246 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M01 compound treatment 0.057 0.045374 0.2365 0.062 0.04173 0.2319 0.042 0.01962 0.111 0.3345 0.9576 3117786 ChemDiv3_005193 OC(=O)CCc1ccc(c2ccccc2)n1NC(=O)c3ccccc3Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M02 compound treatment 0.056 0.044374 0.2313 -0.106 -0.12627 -0.7017 0.097 0.07462 0.422 -0.028 -0.0329 3025345 ChemDiv3_005194 Cc1ccc(o1)c2cccc(c2)n3c(C)ccc3c4cccc(N)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M03 compound treatment -0.106 -0.11763 -0.6131 -0.007 -0.02727 -0.1515 -0.052 -0.07438 -0.4206 -0.6843 -0.9018 3117787 ChemDiv3_005195 COc1ccc(cc1)C2=C/C(=C/c3ccccc3)/C(=O)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M04 compound treatment -0.036 -0.047626 -0.2482 0.0 -0.02027 -0.1126 0.101 0.07862 0.4446 0.0483 0.0927 3025395 ChemDiv3_005196 CC1CC2N(C(=O)c3c2cccc3C(=O)O)c4ccc(F)cc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M05 compound treatment -0.013 -0.024626 -0.1284 -0.032 -0.05227 -0.2905 -0.017 -0.03938 -0.2227 -0.3704 -0.9549 3025396 ChemDiv3_005197 CCc1ccc(NC(=O)C2CCN(CC2)C(=O)c3ccc(F)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M06 compound treatment 0.007 -0.0046255 -0.0241 -0.033 -0.05327 -0.296 0.079 0.05662 0.3202 0.0 1.0E-4 1364255 ChemDiv3_005198 CCCC(=O)Oc1ccc2oc(cc(=O)c2c1)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M07 compound treatment 0.201 0.18937 0.9871 0.088 0.06773 0.3764 -0.032 -0.05438 -0.3075 0.6096 0.5541 3025397 ChemDiv3_005199 CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c4ccccc24)/C(=O)NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M08 compound treatment 0.159 0.14737 0.7682 -0.03 -0.05027 -0.2794 -0.075 -0.09738 -0.5507 -0.0357 -0.0363 3025398 ChemDiv3_005200 CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M09 compound treatment -0.077 -0.088626 -0.4619 0.125 0.10473 0.582 -0.013 -0.03538 -0.2001 -0.0462 -0.06 3025399 ChemDiv3_005201 COc1ccccc1/C=C/2\SC(=O)N(CC(=O)N3CCOCC3)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M10 compound treatment -0.026 -0.037626 -0.1961 0.099 0.07873 0.4375 0.019 -0.0033798 -0.0191 0.1283 0.2675 3025400 ChemDiv3_005202 OC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M11 compound treatment -0.046 -0.057626 -0.3004 0.033 0.01273 0.0707 0.086 0.06362 0.3598 0.0752 0.1586 3117788 ChemDiv3_005203 COc1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M12 compound treatment 0.0 -0.011626 -0.0606 -0.044 -0.06427 -0.3572 -0.146 -0.16838 -0.9522 -0.791 -0.7764 3117789 ChemDiv3_005204 COc1ccc(/C=C/C(=O)C2CC2)cc1COc3cccc(C)c3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M13 compound treatment -0.11 -0.12163 -0.6339 0.049 0.02873 0.1597 0.085 0.06262 0.3541 -0.0694 -0.0933 3025401 ChemDiv3_005205 Nc1oc2cc3c(C(=O)OCC=C)c(N)oc3c(c4ccccc4)c2c1C(=O)OCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M14 compound treatment -0.037 -0.048626 -0.2534 -0.012 -0.03227 -0.1793 0.05 0.02762 0.1562 -0.1597 -0.4595 3117790 ChemDiv3_005206 CC1C/C(=C\c2ccc(C)cc2)/C3=C(C1)C(NC(=S)N3)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M15 compound treatment -0.128 -0.13963 -0.7278 -0.069 -0.08927 -0.4961 0.119 0.09662 0.5464 -0.3911 -0.3774 3025402 ChemDiv3_005207 Cc1ccc(NC(=S)NC(=O)CC2CC(C)(C)OC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M16 compound treatment -0.223 -0.23463 -1.2229 0.071 0.05073 0.2819 -0.068 -0.09038 -0.5111 -0.8384 -0.6187 1419022 ChemDiv3_005208 S=C1NCN(CCc2ccccc2)CN1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M17 compound treatment 0.032 0.020374 0.1062 -0.038 -0.05827 -0.3238 -0.273 -0.29538 -1.6704 -1.0901 -0.6394 3117791 ChemDiv3_005209 N#Cc1nc(COc2ccccc2)oc1NCc3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M18 compound treatment 0.044 0.032374 0.1687 -0.071 -0.09127 -0.5072 -0.08 -0.10238 -0.579 -0.5297 -0.6722 3025403 ChemDiv3_005210 Cn1nnc(n1)c2ccc(OCc3ccccc3F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M19 compound treatment 0.02 0.0083745 0.0436 0.049 0.02873 0.1597 0.013 -0.0093798 -0.053 0.0868 0.4991 3117792 ChemDiv3_005211 O=C/1Nc2ccccc2\C1=C\NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M20 compound treatment 0.176 0.16437 0.8568 0.0 -0.02027 -0.1126 0.07 0.04762 0.2693 0.5851 0.6464 3117793 ChemDiv3_005212 Cc1noc(NS(=O)(=O)c2ccc(NC3OC(=O)c4ccccc34)cc2)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M21 compound treatment 0.019 0.0073745 0.0384 0.112 0.09173 0.5098 -0.106 -0.12838 -0.726 -0.1027 -0.1156 3025404 ChemDiv3_005213 O=c1cc(oc2c1ccc3ccccc32)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M22 compound treatment 0.045 0.033374 0.174 -0.035 -0.05527 -0.3071 -0.04 -0.06238 -0.3528 -0.2806 -0.5622 3025405 ChemDiv3_005214 CC(=C1C(=O)c2ccccc2C1=O)N3CCc4ccccc4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M23 mock treatment 0.103 0.091374 0.4763 0.04 0.01973 0.1096 0.143 0.12062 0.6821 0.7321 0.8724 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 M24 mock treatment 0.039 0.027374 0.1427 -0.015 -0.03527 -0.196 0.083 0.06062 0.3428 0.1671 0.3981 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N01 compound treatment -0.131 -0.14263 -0.7434 -0.142 -0.16227 -0.9018 -0.174 -0.19638 -1.1106 -1.591 -0.9869 3117794 ChemDiv3_005215 NS(=O)(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N02 compound treatment -0.095 -0.10663 -0.5558 -0.168 -0.18827 -1.0462 -0.103 -0.12538 -0.709 -1.3343 -0.9664 3025406 ChemDiv3_005216 C/C(=[N+](/[O-])\C\1CCC/C1=N\O)/C(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N03 compound treatment 0.033 0.021374 0.1114 0.026 0.00573 0.0318 0.027 0.0046202 0.0261 0.0978 0.8233 3117795 ChemDiv3_005217 Sc1nnc(OCc2ccccc2)n1CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N04 compound treatment -0.086 -0.097626 -0.5088 -0.129 -0.14927 -0.8295 -0.137 -0.15938 -0.9013 -1.2931 -0.9749 3117796 ChemDiv3_005218 CC(C)c1ccc2[nH]c3/C(=N/O)/CCCc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N05 compound treatment -0.072 -0.083626 -0.4359 0.025 0.00473 0.0263 0.104 0.08162 0.4616 0.03 0.0472 1457228 ChemDiv3_005219 Cn1c2N=C3C(C(c4cccc(Cl)c4)c2c(=O)n(C)c1=O)C(=O)c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N06 compound treatment 0.049 0.037374 0.1948 0.042 0.02173 0.1208 0.0 -0.02238 -0.1266 0.1091 0.4168 3117929 ChemDiv3_005220 CCc1ccc2n(C)c3nc(S)nnc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N07 compound treatment 0.062 0.050374 0.2626 0.071 0.05073 0.2819 0.063 0.04062 0.2297 0.447 0.9965 3117930 ChemDiv3_005221 COC(=O)C/1=C(C)NC(=O)\C1=C/c2cc(C)n(c2C)c3ccc(OC)c(Cl)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N08 compound treatment -0.079 -0.090626 -0.4724 0.043 0.02273 0.1263 -0.047 -0.06938 -0.3924 -0.4263 -0.68 3025407 ChemDiv3_005222 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NCCCn2ccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N09 compound treatment -0.04 -0.051626 -0.2691 0.205 0.18473 1.0266 -0.02 -0.04238 -0.2397 0.299 0.2748 3117931 ChemDiv3_005223 CC1=C(C(/C=C/c2ccccc2)N3C(=O)CCSC3=N1)C(=O)OCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N10 compound treatment -0.056 -0.067626 -0.3525 0.057 0.03673 0.2041 0.084 0.06162 0.3485 0.1155 0.2155 1320385 ChemDiv3_005224 OC(=O)c1ccc(cc1)C(=O)c2ccc3C(=O)N(CC4CCCO4)C(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N11 compound treatment -0.006 -0.017626 -0.0919 0.012 -0.00827 -0.046 0.059 0.03662 0.2071 0.04 0.173 3025408 ChemDiv3_005225 CCCN(CCC)C(=O)c1cc2C(=O)CC(C)(C)Cc2n(c3ccc(Cl)c(Cl)c3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N12 compound treatment 0.032 0.020374 0.1062 -0.019 -0.03927 -0.2182 0.063 0.04062 0.2297 0.0679 0.2033 3117932 ChemDiv3_005226 CC1(C)Cc2ccccc2C(=N1)c3cc4ccccc4oc3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N13 compound treatment -0.05 -0.061626 -0.3212 0.036 0.01573 0.0874 -0.156 -0.17838 -1.0088 -0.7174 -0.6753 3025409 ChemDiv3_005227 CCc1ccc(/C=C/2\N(C)C(=S)N(C2=O)c3ccc(C)c(C)c3)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N14 compound treatment 0.1 0.088374 0.4606 0.0 -0.02027 -0.1126 -0.17 -0.19238 -1.0879 -0.4272 -0.36 3117933 ChemDiv3_005228 CCCN(CCC)Cc1c(O)ccc2c(=O)c(coc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N15 compound treatment -0.006 -0.017626 -0.0919 -0.019 -0.03927 -0.2182 0.092 0.06962 0.3937 0.0483 0.1051 3025410 ChemDiv3_005229 Oc1ccc(Br)cc1/C=N/c2sc3N4CCC(CC4)c3c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N16 compound treatment -0.171 -0.18263 -0.9519 0.128 0.10773 0.5987 0.159 0.13662 0.7726 0.2421 0.1775 3117934 ChemDiv3_005230 FC(F)(F)c1nnc2Sc3nc4ccccc4nc3Nn12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N17 compound treatment -0.077 -0.088626 -0.4619 -0.109 -0.12927 -0.7184 0.066 0.04362 0.2467 -0.539 -0.6063 1245770 ChemDiv3_005231 CCc1cccc(CC)c1N(COC)C(=O)Cn2c(Cc3ccccc3)nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N18 compound treatment -0.065 -0.076626 -0.3994 0.199 0.17873 0.9932 0.163 0.14062 0.7952 0.802 0.6014 3025411 ChemDiv3_005232 CC(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N19 compound treatment 0.088 0.076374 0.3981 -0.021 -0.04127 -0.2293 -0.139 -0.16138 -0.9126 -0.4295 -0.4203 3117935 ChemDiv3_005233 CCCOc1ccc(/C=C\2/SC(=O)N(CN3CCCCC3)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N20 compound treatment 0.096 0.084374 0.4398 0.018 -0.00227 -0.0126 -0.006 -0.02838 -0.1605 0.154 0.3288 3025412 ChemDiv3_005234 CC(C)(C)c1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N21 compound treatment 0.047 0.035374 0.1844 0.214 0.19373 1.0766 0.137 0.11462 0.6482 1.1023 0.8678 1452765 ChemDiv3_005235 O=c1nc(CC#N)sc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N22 compound treatment -0.129 -0.14063 -0.733 -0.019 -0.03927 -0.2182 0.047 0.02462 0.1392 -0.4688 -0.6031 3117936 ChemDiv3_005236 COc1cccc(NC(=O)CCSc2nnc3ccc4ccccc4n23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N23 mock treatment -0.026 -0.037626 -0.1961 0.139 0.11873 0.6598 0.144 0.12162 0.6878 0.6648 0.6832 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 N24 mock treatment -0.042 -0.053626 -0.2795 0.006 -0.01427 -0.0793 0.0 -0.02238 -0.1266 -0.2802 -0.8843 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O01 compound treatment 0.065 0.053374 0.2782 0.102 0.08173 0.4542 0.188 0.16562 0.9366 0.9636 0.8943 1414377 ChemDiv3_005237 Cc1ccc(cc1)c2ccc(CCC(=O)O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O02 compound treatment -0.036 -0.047626 -0.2482 0.038 0.01773 0.0985 0.149 0.12662 0.7161 0.327 0.4279 3025413 ChemDiv3_005238 CC(NC1(CC(=C)C)CCCCC1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O03 compound treatment -0.055 -0.066626 -0.3473 0.064 0.04373 0.243 0.09 0.06762 0.3824 0.1606 0.2813 3117937 ChemDiv3_005239 COc1ccc(Br)c2Cc3sc(/N=C/c4ccc(C)cc4)nc3-c21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O04 compound treatment 0.167 0.15537 0.8098 -0.033 -0.05327 -0.296 -0.025 -0.04738 -0.2679 0.142 0.1572 3117938 ChemDiv3_005240 OC(=O)c1cccc2C(CC=C)N(C(=O)c21)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O05 compound treatment 0.041 0.029374 0.1531 -0.034 -0.05427 -0.3016 0.034 0.01162 0.0657 -0.0478 -0.1387 3025414 ChemDiv3_005241 CCC1CCC(CC1)c2nnc(o2)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O06 compound treatment 0.019 0.0073745 0.0384 0.053 0.03273 0.1819 0.373 0.35062 1.9828 1.272 0.6387 1327740 ChemDiv3_005242 COc1ccc(cc1)c2cc(=O)c3cc(OC(=O)Cc4ccccc4)ccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O07 compound treatment 1.346 1.3344 5.9698 0.075 0.05473 0.3041 1.404 1.3816 6.5518 7.405 0.8349 3025415 ChemDiv3_005243 CN1C(=O)/C(=C/c2cc(C)n(c2C)c3ccc(cc3)C(=O)O)/C(=O)NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O08 compound treatment 0.144 0.13237 0.69 0.13 0.10973 0.6098 0.006 -0.01638 -0.0926 0.6969 0.7531 3117939 ChemDiv3_005244 CCC(=O)OCCNc1nc(nc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O09 compound treatment -0.063 -0.074626 -0.389 0.095 0.07473 0.4153 -0.139 -0.16138 -0.9126 -0.5117 -0.4758 3025416 ChemDiv3_005245 CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c3cccs3)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O10 compound treatment 0.094 0.082374 0.4294 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 0.1098 0.2378 3117940 ChemDiv3_005246 FC(F)(F)c1cccc(c1)S(=O)(=O)NC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O11 compound treatment -0.037 -0.048626 -0.2534 -0.222 -0.24227 -1.3463 -0.011 -0.03338 -0.1888 -1.0326 -0.7467 3117941 ChemDiv3_005247 CCn1cc(C=C2C(=O)OC(C)(OC2=O)C(C)(C)C)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O12 compound treatment -0.277 -0.28863 -1.5044 -0.218 -0.23827 -1.3241 -0.114 -0.13638 -0.7713 -2.0783 -0.9678 3025417 ChemDiv3_005248 O=C(/C=C/c1ccc2OCOc2c1)/C=C/c3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O13 compound treatment 0.346 0.33437 1.7428 0.0 -0.02027 -0.1126 -0.13 -0.15238 -0.8617 0.4437 0.2278 1501347 ChemDiv3_005249 CC1CC1c2ccc(CCC(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O14 compound treatment 0.042 0.030374 0.1583 -0.036 -0.05627 -0.3127 -0.014 -0.03638 -0.2057 -0.2079 -0.5116 3025418 ChemDiv3_005250 CCc1ccc(cc1)N2CN(Cc3ccccc3)CNC2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O15 compound treatment -0.037 -0.048626 -0.2534 0.012 -0.00827 -0.046 0.12 0.09762 0.5521 0.1459 0.2394 1874484 ChemDiv3_005251 Cc1ccc(cc1)S(=O)(=O)NC2CCOC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O16 compound treatment 0.018 0.0063745 0.0332 0.127 0.10673 0.5931 0.088 0.06562 0.3711 0.5759 0.8222 3025419 ChemDiv3_005252 CCCN1CNC(=S)N(C1)c2cc(C)ccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O17 compound treatment -0.11 -0.12163 -0.6339 -0.057 -0.07727 -0.4294 0.182 0.15962 0.9027 -0.0928 -0.0784 3117942 ChemDiv3_005253 CCOc1ccc(cc1OC)C(NC(=O)c2ccco2)NC(=O)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O18 compound treatment 0.182 0.17037 0.888 0.425 0.40473 2.2492 0.144 0.12162 0.6878 2.2083 0.8784 3117943 ChemDiv3_005254 CC1CCCC(C1=O)C2(O)C(=O)Nc3ccccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O19 compound treatment -0.082 -0.093626 -0.488 1.893 1.8727 7.3153 -0.074 -0.09638 -0.545 3.6271 0.4934 3025420 ChemDiv3_005255 Clc1c2C(=O)/C(=C\NC3CCCCC3)/Nc2ccc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O20 compound treatment -0.048 -0.059626 -0.3108 -0.283 -0.30327 -1.6853 0.176 0.15362 0.8688 -0.6509 -0.3388 3117944 ChemDiv3_005256 O=C1OC(Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O21 compound treatment -0.093 -0.10463 -0.5453 0.097 0.07673 0.4264 0.006 -0.01638 -0.0926 -0.1221 -0.1749 3025421 ChemDiv3_005257 COC(=O)CC/1SC(=O)N\C1=N/c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O22 compound treatment 0.067 0.055374 0.2886 -0.019 -0.03927 -0.2182 0.035 0.01262 0.0714 0.0818 0.2219 3117945 ChemDiv3_005258 CC(=C1C(=O)c2ccccc2C1=O)N3CCC(Cc4ccccc4)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O23 mock treatment 0.102 0.090374 0.4711 0.159 0.13873 0.7709 0.107 0.08462 0.4785 0.9934 0.9716 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 O24 mock treatment -0.048 -0.059626 -0.3108 0.117 0.09673 0.5375 0.026 0.0036202 0.0205 0.1427 0.2298 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P01 compound treatment -0.045 -0.056626 -0.2951 0.059 0.03873 0.2152 -0.034 -0.05638 -0.3188 -0.2302 -0.4748 1382485 ChemDiv3_005259 O=C(N1N=C(CC1c2ccccc2)c3ccccc3)c4cc5ccccc5oc4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P02 compound treatment -0.095 -0.10663 -0.5558 -0.027 -0.04727 -0.2627 -0.021 -0.04338 -0.2453 -0.6142 -0.9279 3117946 ChemDiv3_005260 Cc1cc(ccc1Cl)/C(=N/O)/C(C)(C)NO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P03 compound treatment -0.152 -0.16363 -0.8529 -0.006 -0.02627 -0.146 0.013 -0.0093798 -0.053 -0.6073 -0.7006 3117947 ChemDiv3_005261 CC1CCN(CC1)C(=S)SCC(=O)n2c(C)c(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P04 compound treatment 0.065 0.053374 0.2782 0.034 0.01373 0.0763 -0.018 -0.04038 -0.2284 0.0728 0.198 3025422 ChemDiv3_005262 COc1ccc(Nc2ccc3nnc(c4ccc(Br)cc4)n3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P05 compound treatment -0.023 -0.034626 -0.1805 0.025 0.00473 0.0263 -0.011 -0.03338 -0.1888 -0.198 -0.7544 3117948 ChemDiv3_005263 CC1(C)CC(=O)C2=C(C1)N=C3C(C2c4cccc(Br)c4)C(=O)c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P06 compound treatment -0.029 -0.040626 -0.2117 0.118 0.09773 0.5431 -0.123 -0.14538 -0.8221 -0.2834 -0.2812 3025423 ChemDiv3_005264 CCc1ccc2n(CC)c3nc4ccccc4nc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P07 compound treatment -0.19 -0.20163 -1.0509 1.067 1.0467 5.6358 0.201 0.17862 1.0101 3.2303 0.5549 3117949 ChemDiv3_005265 COC(=O)C/1=C(C)N(CC2CCCO2)C(=O)\C1=C/c3cc(C)n(c3C)c4ccc(OC)c(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P08 compound treatment -0.434 -0.44563 -2.3227 -0.336 -0.35627 -1.9799 -0.421 -0.44338 -2.5074 -3.9317 -0.9954 3025424 ChemDiv3_005266 CC(CN1CCCC1)OC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P09 compound treatment -0.044 -0.055626 -0.2899 -0.043 -0.06327 -0.3516 0.037 0.01462 0.0827 -0.3227 -0.6966 3117950 ChemDiv3_005267 Cc1cc(ccc1/C=C/2\NC(=O)N(Cc3ccccc3)C2=O)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P10 compound treatment 0.114 0.10237 0.5336 0.02 -2.7002E-4 -0.0015 0.276 0.25362 1.4343 1.1353 0.7419 3117951 ChemDiv3_005268 CCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc3cc(cc(c3)C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P11 compound treatment 0.231 0.21937 1.1434 0.261 0.24073 1.3378 0.329 0.30662 1.734 2.4336 0.985 3025425 ChemDiv3_005269 OC(=O)c1cccc(c1)n2cccc2C=C3C(=O)c4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P12 compound treatment -0.094 -0.10563 -0.5505 0.025 0.00473 0.0263 -0.134 -0.15638 -0.8844 -0.8133 -0.7804 3118091 ChemDiv3_005270 CCC1(CC)Cc2ccccc2C(=N1)c3cc4ccccc4oc3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P13 compound treatment 0.092 0.080374 0.4189 0.06 0.03973 0.2208 -0.273 -0.29538 -1.6704 -0.5951 -0.3427 3025426 ChemDiv3_005271 Cc1cc(I)ccc1n2nc(cc2O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P14 compound treatment -0.044 -0.055626 -0.2899 -0.121 -0.14127 -0.7851 0.212 0.18962 1.0723 -0.0015 -0.0011 3118092 ChemDiv3_005272 COc1ccc(cc1OC)c2c(oc3c(CN4CCCC(C)C4)c(O)ccc3c2=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P15 compound treatment 0.047 0.035374 0.1844 -0.026 -0.04627 -0.2571 0.342 0.31962 1.8075 1.0016 0.5458 3025475 ChemDiv3_005273 O=C(Nc1ccc(CN2CCOCC2)cc1)/C=C/c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P16 compound treatment -0.012 -0.023626 -0.1231 -0.018 -0.03827 -0.2127 -0.056 -0.07838 -0.4433 -0.4498 -0.8875 3025476 ChemDiv3_005274 CCc1cccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P17 compound treatment -0.011 -0.022626 -0.1179 -0.006 -0.02627 -0.146 -0.011 -0.03338 -0.1888 -0.2614 -0.9819 3025477 ChemDiv3_005275 C=CCn1c(=O)[nH]c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P18 compound treatment 0.085 0.073374 0.3824 -0.21 -0.23027 -1.2796 0.03 0.0076202 0.0431 -0.4931 -0.369 3025478 ChemDiv3_005276 CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P19 compound treatment 0.057 0.045374 0.2365 -0.075 -0.09527 -0.5294 0.365 0.34262 1.9376 0.9495 0.4695 3025479 ChemDiv3_005277 O=C1S/C(=C\c2cn(Cc3ccccc3)c4ccccc24)/C(=O)N1CN5CCCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P20 compound treatment -0.121 -0.13263 -0.6913 -0.547 -0.56727 -3.1524 -0.058 -0.08038 -0.4546 -2.4816 -0.7614 3025480 ChemDiv3_005278 O=C(CCSc1ccc2ccccc2n1)NCCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P21 compound treatment 0.156 0.14437 0.7525 0.105 0.08473 0.4709 -0.058 -0.08038 -0.4546 0.4439 0.4451 3025481 ChemDiv3_005279 CCCN1C(=O)/C(=C/c2cc(C)n(c2C)c3ccc(Cl)cc3)/NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P22 compound treatment -0.082 -0.093626 -0.488 -0.069 -0.08927 -0.4961 -0.113 -0.13538 -0.7656 -1.0102 -0.9764 3118093 ChemDiv3_005280 O=C(CSc1nnc2scc(c3ccccc3)n12)N4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P23 mock treatment -0.006 -0.017626 -0.0919 -0.019 -0.03927 -0.2182 0.073 0.05062 0.2863 -0.0138 -0.037 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2015 P24 mock treatment 0.073 0.061374 0.3199 0.09 0.06973 0.3875 -0.013 -0.03538 -0.2001 0.2929 0.5416 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A01 compound treatment 0.097 0.085374 0.445 0.063 0.04273 0.2375 -0.161 -0.18338 -1.037 -0.2047 -0.1775 3027680 ChemDiv3_007041 FC(F)(F)c1cc(nc(SCCCC(=O)NC2CCCC2)n1)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A02 compound treatment 0.025 0.013374 0.0697 -0.043 -0.06327 -0.3516 0.064 0.04162 0.2354 -0.0269 -0.0626 3118293 ChemDiv3_007042 CC(C)CCNC(=O)c1c(C)oc2C(=O)c3ccccc3C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A03 compound treatment -0.039 -0.050626 -0.2639 0.037 0.01673 0.093 0.035 0.01262 0.0714 -0.0575 -0.199 1788862 ChemDiv3_007043 O=C(Nc1cccnc1)c2nc3ncccn3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A04 compound treatment -0.031 -0.042626 -0.2222 0.212 0.19173 1.0655 0.065 0.04262 0.241 0.626 0.5616 1875739 ChemDiv3_007044 OC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)NC(=O)c4cccc(c2)c43)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A05 compound treatment 0.188 0.17637 0.9193 -0.325 -0.34527 -1.9187 0.066 0.04362 0.2467 -0.4346 -0.2029 3027681 ChemDiv3_007045 COC(=O)CSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A06 compound treatment -0.127 -0.13863 -0.7225 0.034 0.01373 0.0763 0.119 0.09662 0.5464 -0.0576 -0.0634 3118294 ChemDiv3_007046 COc1ccc2[nH]c(SCc3cnc(C)nc3N)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A07 compound treatment 0.084 0.072374 0.3772 0.088 0.06773 0.3764 -0.219 -0.24138 -1.365 -0.353 -0.2409 3027682 ChemDiv3_007047 CCSC1=C(C#N)C(=O)NC(CO)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A08 compound treatment -0.019 -0.030626 -0.1596 0.079 0.05873 0.3264 -0.074 -0.09638 -0.545 -0.2184 -0.3334 3118295 ChemDiv3_007048 Clc1ccc(cc1)C2C3=C(Nc4ccccc4S2(=O)=O)c5ccccc5C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A09 compound treatment 0.071 0.059374 0.3095 -0.006 -0.02627 -0.146 0.079 0.05662 0.3202 0.2793 0.5959 3118296 ChemDiv3_007049 CC1(C)OC[C@H](O1)[C@H](O)P(=O)(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A10 compound treatment -0.099 -0.11063 -0.5766 -0.237 -0.25727 -1.4297 -0.038 -0.06038 -0.3415 -1.3555 -0.8585 3027683 ChemDiv3_007050 CC(C)N1CNC(=NC1)Nc2nc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A11 compound treatment 0.013 0.0013745 0.0072 0.034 0.01373 0.0763 -0.121 -0.14338 -0.8108 -0.42 -0.5156 3118297 ChemDiv3_007051 CCOc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)N4C(C)CCCC4C)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A12 compound treatment -0.133 -0.14463 -0.7538 -0.054 -0.07427 -0.4127 0.022 -3.7977E-4 -0.0021 -0.6747 -0.7851 3027684 ChemDiv3_007052 CC(C)CCN1C(=O)c2ccc(cc2C1=O)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A13 compound treatment -0.038 -0.049626 -0.2587 0.125 0.10473 0.582 -0.106 -0.12838 -0.726 -0.2325 -0.2407 3118298 ChemDiv3_007053 CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A14 compound treatment -0.088 -0.099626 -0.5193 0.034 0.01373 0.0763 -0.065 -0.08738 -0.4941 -0.541 -0.7506 1748461 ChemDiv3_007054 CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc23)nc1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A15 compound treatment -0.084 -0.095626 -0.4984 -0.014 -0.03427 -0.1904 0.02 -0.0023798 -0.0135 -0.4055 -0.7597 3027685 ChemDiv3_007055 COc1ccc(cc1)N2CCc3c2n4c5ccccc5nc4c(C#N)c3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A16 compound treatment -0.037 -0.048626 -0.2534 0.108 0.08773 0.4875 0.039 0.01662 0.094 0.1894 0.3398 3118299 ChemDiv3_007056 O=C(CSc1nc2ccccc2nc1N3CCOCC3)NCc4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A17 compound treatment 0.013 0.0013745 0.0072 0.24 0.21973 1.2211 0.112 0.08962 0.5068 1.0017 0.7577 3027686 ChemDiv3_007057 Cn1c(=O)[nH]c(=O)c2n(CC=C)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A18 compound treatment 0.032 0.020374 0.1062 0.145 0.12473 0.6931 0.018 -0.0043798 -0.0248 0.4472 0.6373 3118300 ChemDiv3_007058 Oc1ccc2c(CSc3cccc4cccnc34)cc(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A19 compound treatment -0.098 -0.10963 -0.5714 -0.047 -0.06727 -0.3738 0.152 0.12962 0.733 -0.1225 -0.1223 1612422 ChemDiv3_007059 Cc1cc(O)nc(SCc2cn3c(C)cc(C)nc3n2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A20 compound treatment -0.123 -0.13463 -0.7017 0.045 0.02473 0.1374 0.165 0.14262 0.8065 0.1399 0.1298 3027740 ChemDiv3_007060 CN(C)C1=NC(N=C(O1)c2ccccc2)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A21 compound treatment 0.075 0.063374 0.3303 0.085 0.06473 0.3597 -0.113 -0.13538 -0.7656 -0.0436 -0.048 3118301 ChemDiv3_007061 S1C(C(=Nc2ccccc12)c3ccccc3)c4nc5ccccc5[nH]4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A22 compound treatment -0.048 -0.059626 -0.3108 -0.175 -0.19527 -1.0851 0.0 -0.02238 -0.1266 -0.879 -0.7739 3027741 ChemDiv3_007062 CN(C)C1=NC(c2c(C)nn(c2O1)c3ccccc3)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A23 mock treatment -0.116 -0.12763 -0.6652 0.107 0.08673 0.482 0.038 0.01562 0.0883 -0.0548 -0.0663 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 A24 mock treatment -0.142 -0.15363 -0.8007 -0.052 -0.07227 -0.4016 0.057 0.03462 0.1958 -0.5811 -0.6338 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B01 compound treatment -0.241 -0.25263 -1.3167 -0.064 -0.08427 -0.4683 0.095 0.07262 0.4107 -0.7935 -0.5447 1198210 ChemDiv3_007063 Oc1c(ccc2cccnc12)C(N3CCCC3)c4ccncc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B02 compound treatment 0.047 0.035374 0.1844 0.007 -0.01327 -0.0737 0.037 0.01462 0.0827 0.1116 0.5189 1284982 ChemDiv3_007064 OCCNC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B03 compound treatment 0.007 -0.0046255 -0.0241 -0.118 -0.13827 -0.7684 0.028 0.0056202 0.0318 -0.4392 -0.5708 1247906 ChemDiv3_007065 CC(C)C(c1c(C)[nH]c2ccccc12)c3c(C)[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B04 compound treatment -0.104 -0.11563 -0.6027 0.06 0.03973 0.2208 0.045 0.02262 0.1279 -0.1466 -0.224 3027742 ChemDiv3_007066 Cc1ccc(NC(=O)CSC(=N)N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B05 compound treatment -0.127 -0.13863 -0.7225 0.089 0.06873 0.3819 0.065 0.04262 0.241 -0.0575 -0.0675 3118302 ChemDiv3_007067 COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B06 compound treatment 0.062 0.050374 0.2626 0.087 0.06673 0.3708 -0.028 -0.05038 -0.2849 0.2012 0.3752 1627380 ChemDiv3_007068 CCN(CC)Cn1cnc2c(SC)ncnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B07 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 -0.061 -0.08338 -0.4715 -0.3723 -0.7619 3118303 ChemDiv3_007069 CC1(C)C2(C)CCC1(C(=O)O)c3nc4ccc5ncccc5c4nc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B08 compound treatment -0.032 -0.043626 -0.2274 0.12 0.09973 0.5542 -0.102 -0.12438 -0.7034 -0.2174 -0.2353 3027743 ChemDiv3_007070 Clc1ccc(CC2(C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B09 compound treatment -0.093 -0.10463 -0.5453 0.047 0.02673 0.1485 -0.007 -0.02938 -0.1661 -0.325 -0.5517 3118304 ChemDiv3_007071 Cc1c(oc2CC(C)(C)CC(=O)c12)C(=O)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B10 compound treatment 0.087 0.075374 0.3929 -0.14 -0.16027 -0.8906 -0.019 -0.04138 -0.234 -0.4225 -0.422 1618272 ChemDiv3_007072 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3OC(C)(C)Oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B11 compound treatment -0.11 -0.12163 -0.6339 -0.033 -0.05327 -0.296 -0.063 -0.08538 -0.4828 -0.8157 -0.9595 3027744 ChemDiv3_007073 Cc1ccc(cc1)S(=O)(=O)c2nc(c(NCc3ccco3)s2)S(=O)(=O)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B12 compound treatment 0.042 0.030374 0.1583 -0.063 -0.08327 -0.4627 -0.033 -0.05538 -0.3132 -0.3566 -0.614 3118305 ChemDiv3_007074 COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B13 compound treatment 0.04 0.028374 0.1479 -0.043 -0.06327 -0.3516 -0.096 -0.11838 -0.6695 -0.5041 -0.6543 3118306 ChemDiv3_007075 COc1ccc(cc1)C2C(=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B14 compound treatment -0.082 -0.093626 -0.488 -0.127 -0.14727 -0.8184 -0.036 -0.05838 -0.3301 -0.9449 -0.937 1516177 ChemDiv3_007076 O=C(NCc1ccc2OCOc2c1)c3ccc4c(=O)n(Cc5ccccc5)c(=S)[nH]c4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B15 compound treatment -0.133 -0.14463 -0.7538 -0.027 -0.04727 -0.2627 0.438 0.41562 2.3504 0.7701 0.3103 3118307 ChemDiv3_007077 CN(C)CCn1c(C)cc2OC(=C(C#N)C(c3ccncc3)c2c1=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B16 compound treatment 0.115 0.10337 0.5388 0.048 0.02773 0.1541 -0.02 -0.04238 -0.2397 0.2617 0.4293 3027745 ChemDiv3_007078 CCOc1ccc(NC(=O)CCNC(=O)c2cn(c3cccc(OC)c3)c(=O)c4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B17 compound treatment -0.212 -0.22363 -1.1656 -0.006 -0.02627 -0.146 -0.062 -0.08438 -0.4772 -1.0327 -0.8145 3118308 ChemDiv3_007079 Fc1ccc(NP2(=O)COc3ccccc3OC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B18 compound treatment -0.031 -0.042626 -0.2222 0.0 -0.02027 -0.1126 0.051 0.02862 0.1619 -0.0999 -0.3362 3118309 ChemDiv3_007080 CC1(C)CC(=O)C2=C(C1)N(CCN3CCOCC3)C4=C(C2c5cccc(Cl)c5)C(=O)CC(C)(C)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B19 compound treatment -0.233 -0.24463 -1.275 -0.099 -0.11927 -0.6628 1.951 1.9286 7.5231 3.2246 0.421 3027746 ChemDiv3_007081 CC[n+]1c(/C=C/2\SC=CN2C)cc(C)c3cc(OC)c4ccccc4c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B20 compound treatment -0.117 -0.12863 -0.6704 -0.041 -0.06127 -0.3405 0.052 0.02962 0.1675 -0.4869 -0.6321 3118310 ChemDiv3_007082 CCOC(=O)c1cnc2c(OC)cccc2c1N3CC(C)CC(C)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B21 compound treatment -0.066 -0.077626 -0.4046 0.185 0.16473 0.9154 -0.082 -0.10438 -0.5903 -0.0459 -0.0395 3027747 ChemDiv3_007083 S(c1ccc(/C=N/c2cccc3ccccc23)o1)c4nnnn4c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B22 compound treatment -0.095 -0.10663 -0.5558 0.204 0.18373 1.021 -0.026 -0.04838 -0.2736 0.1107 0.0927 3118432 ChemDiv3_007084 CCOc1ccc2n(CC)/c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B23 mock treatment 0.051 0.039374 0.2052 0.309 0.28873 1.6045 -0.037 -0.05938 -0.3358 0.851 0.5151 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 B24 mock treatment 0.025 0.013374 0.0697 -0.012 -0.03227 -0.1793 0.026 0.0036202 0.0205 -0.0515 -0.266 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C01 compound treatment 0.032 0.020374 0.1062 0.359 0.33873 1.8824 -0.056 -0.07838 -0.4433 0.8922 0.4607 3027748 ChemDiv3_007085 FC(F)(F)c1cc(nc(OCC(=O)NCC=C)n1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C02 compound treatment 0.007 -0.0046255 -0.0241 -0.048 -0.06827 -0.3794 -0.073 -0.09538 -0.5394 -0.5444 -0.8249 3118433 ChemDiv3_007086 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C03 compound treatment 0.116 0.10437 0.544 0.048 0.02773 0.1541 -0.075 -0.09738 -0.5507 0.0851 0.1078 1788886 ChemDiv3_007087 CCOC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc4CC(CC)CCc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C04 compound treatment -0.234 -0.24563 -1.2803 0.075 0.05473 0.3041 -0.013 -0.03538 -0.2001 -0.6791 -0.5102 3027749 ChemDiv3_007088 OC(=O)CCC(=O)N(Cc1cn(nc1c2cccnc2)c3ccccc3)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C05 compound treatment 0.091 0.079374 0.4137 -0.062 -0.08227 -0.4572 -0.013 -0.03538 -0.2001 -0.1406 -0.2169 3118434 ChemDiv3_007089 COC(=O)CSC1=C(C#N)C(=O)NC(S1)c2ccccc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C06 compound treatment 0.117 0.10537 0.5492 0.076 0.05573 0.3097 0.013 -0.0093798 -0.053 0.4653 0.7353 3027750 ChemDiv3_007090 Cc1ccc(cc1)n2sc3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C07 compound treatment 0.07 0.058374 0.3043 0.013 -0.00727 -0.0404 0.14 0.11762 0.6652 0.5364 0.7322 3118435 ChemDiv3_007091 Oc1ccccc1C2NC(=O)C(=C(SCc3ccccc3)S2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C08 compound treatment -0.058 -0.069626 -0.3629 -0.033 -0.05327 -0.296 0.097 0.07462 0.422 -0.1368 -0.217 3027751 ChemDiv3_007092 Cn1c2NCN(Cc2c(=O)n(C)c1=O)C3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C09 compound treatment -0.032 -0.043626 -0.2274 -0.084 -0.10427 -0.5794 0.055 0.03262 0.1845 -0.3593 -0.5535 1528851 ChemDiv3_007093 CCOc1cccc2cc(c3nc4ccccc4s3)c(=O)oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C10 compound treatment -0.065 -0.076626 -0.3994 -0.112 -0.13227 -0.735 -0.079 -0.10138 -0.5733 -0.986 -0.9722 3118436 ChemDiv3_007094 C1NC(=NCN1C2CCCCCC2)Nc3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C11 compound treatment 0.113 0.10137 0.5284 -0.044 -0.06427 -0.3572 -0.042 -0.06438 -0.3641 -0.1113 -0.1516 3027752 ChemDiv3_007095 CCN(CC)C(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C12 compound treatment -0.055 -0.066626 -0.3473 -0.095 -0.11527 -0.6406 -0.162 -0.18438 -1.0427 -1.1723 -0.9216 3118437 ChemDiv3_007096 CCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C13 compound treatment 0.026 0.014374 0.0749 0.007 -0.01327 -0.0737 -0.144 -0.16638 -0.9409 -0.5426 -0.5731 3118438 ChemDiv3_007097 COc1ccc(cc1)N2C(=O)CC(C2=O)c3cn(Cc4ccccc4)c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C14 compound treatment -0.014 -0.025626 -0.1336 -0.136 -0.15627 -0.8684 -0.169 -0.19138 -1.0823 -1.2034 -0.8632 3027753 ChemDiv3_007098 Nc1c(C#N)cnc2c(c(COc3ccccc3)nn12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C15 compound treatment -0.241 -0.25263 -1.3167 0.03 0.00973 0.0541 -0.041 -0.06338 -0.3584 -0.9359 -0.6853 3027754 ChemDiv3_007099 CC1=NNC(=O)C1CCc2ccncc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C16 compound treatment -0.162 -0.17363 -0.905 -0.062 -0.08227 -0.4572 -0.089 -0.11138 -0.6299 -1.1501 -0.9635 3118439 ChemDiv3_007100 O=C(CSc1nc2ccccc2nc1N3CCOCC3)N4CCC5(CC4)OCCO5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C17 compound treatment 0.006 -0.0056255 -0.0293 -0.051 -0.07127 -0.3961 0.071 0.04862 0.275 -0.0868 -0.1798 3027755 ChemDiv3_007101 CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C18 compound treatment 0.15 0.13837 0.7212 0.09 0.06973 0.3875 -0.514 -0.53638 -3.0333 -1.1112 -0.3537 3118440 ChemDiv3_007102 CCCOc1ccc(cc1)/C(=N\O)/C(C)(C)NO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C19 compound treatment -0.113 -0.12463 -0.6496 -0.037 -0.05727 -0.3183 -0.013 -0.03538 -0.2001 -0.6743 -0.8984 3118441 ChemDiv3_007103 CCS(=O)(=O)Nc1cccc(c1)C(=O)CC2(O)C(=O)Nc3ccccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C20 compound treatment -0.105 -0.11663 -0.6079 0.078 0.05773 0.3208 -0.07 -0.09238 -0.5224 -0.4674 -0.5413 3026802 ChemDiv3_007104 CC1=CC2=NC(NC(=O)N2C=C1)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C21 compound treatment -0.133 -0.14463 -0.7538 0.105 0.08473 0.4709 0.025 0.0026202 0.0148 -0.1548 -0.1742 3026803 ChemDiv3_007105 CCOc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ncnn24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C22 compound treatment -0.028 -0.039626 -0.2065 0.0 -0.02027 -0.1126 0.071 0.04862 0.275 -0.0255 -0.0706 3118442 ChemDiv3_007106 CCC1=NC(C2=C(CC(C)(C)CC2=O)N1Cc3ccccc3)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C23 mock treatment 0.086 0.074374 0.3877 0.007 -0.01327 -0.0737 0.119 0.09662 0.5464 0.4967 0.737 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 C24 mock treatment -0.164 -0.17563 -0.9154 0.139 0.11873 0.6598 0.045 0.02262 0.1279 -0.0737 -0.0649 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D01 compound treatment -0.55 -0.56163 -2.9273 -0.127 -0.14727 -0.8184 0.035 0.01262 0.0714 -2.1214 -0.6977 1621903 ChemDiv3_007107 CN1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D02 compound treatment 0.35 0.33837 1.7637 -0.138 -0.15827 -0.8795 -0.187 -0.20938 -1.1841 -0.1732 -0.0753 3026804 ChemDiv3_007108 Cc1ccsc1/C=N/c2ccc(Cl)cc2C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D03 compound treatment 0.254 0.24237 1.2633 0.188 0.16773 0.9321 -0.028 -0.05038 -0.2849 1.103 0.6913 1681432 ChemDiv3_007109 Cc1ccc(cc1)C(=O)OC(c2ccccc2)c3nccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D04 compound treatment 0.071 0.059374 0.3095 -0.164 -0.18427 -1.024 -0.03 -0.05238 -0.2962 -0.5836 -0.5257 1346036 ChemDiv3_007110 CCOc1nc(NC2CCCC2)nc(n1)N3CCC(C)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D05 compound treatment -0.011 -0.022626 -0.1179 0.161 0.14073 0.7821 0.155 0.13262 0.75 0.8164 0.7491 3118443 ChemDiv3_007111 Cc1sc2N(CN(Cc2c1C)C(C)(C)C)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D06 compound treatment -0.006 -0.017626 -0.0919 0.117 0.09673 0.5375 0.074 0.05162 0.2919 0.4259 0.6885 1643537 ChemDiv3_007112 CCOC(=O)N1N=C(C)CC1(O)c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D07 compound treatment -0.027 -0.038626 -0.2013 0.124 0.10373 0.5764 0.071 0.04862 0.275 0.3753 0.5605 3118444 ChemDiv3_007113 O(c1ccc2nccnc2c1)c3ccc4nccnc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D08 compound treatment -0.023 -0.034626 -0.1805 -0.077 -0.09727 -0.5405 0.539 0.51662 2.9216 1.2705 0.4268 3026805 ChemDiv3_007114 CN(C)c1ccc(cc1)c2nc(S)[nH]c(=O)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D09 compound treatment 0.013 0.0013745 0.0072 0.159 0.13873 0.7709 0.104 0.08162 0.4616 0.7157 0.7965 3118445 ChemDiv3_007115 CN1CCN(CC1)C(=O)c2oc3CC(C)(C)CC(=O)c3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D10 compound treatment 5.006 4.9944 9.1442 4.5 4.4797 9.5067 4.132 4.1096 9.4782 16.2403 0.9998 1345726 ChemDiv3_007116 CC(C)(C)N1NC2(CCCCC2)NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D11 compound treatment -0.032 -0.043626 -0.2274 -0.072 -0.09227 -0.5128 -0.199 -0.22138 -1.2519 -1.1501 -0.8384 1384630 ChemDiv3_007117 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N2CCOCC2)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D12 compound treatment 0.019 0.0073745 0.0384 -0.08 -0.10027 -0.5572 -0.039 -0.06138 -0.3471 -0.4999 -0.7602 3118446 ChemDiv3_007118 Cc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D13 compound treatment -0.092 -0.10363 -0.5401 -0.136 -0.15627 -0.8684 0.229 0.20662 1.1685 -0.1386 -0.0893 1444379 ChemDiv3_007119 COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D14 compound treatment -0.184 -0.19563 -1.0196 -0.133 -0.15327 -0.8517 -0.055 -0.07738 -0.4376 -1.3331 -0.953 1441733 ChemDiv3_007120 COc1ccc(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D15 compound treatment -0.024 -0.035626 -0.1857 0.094 0.07373 0.4097 0.073 0.05062 0.2863 0.2946 0.5526 3026806 ChemDiv3_007121 COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c4ccncc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D16 compound treatment 0.047 0.035374 0.1844 0.106 0.08573 0.4764 -0.11 -0.13238 -0.7486 -0.0507 -0.056 3118447 ChemDiv3_007122 COc1ccccc1n2cc(C(=O)NCC(=O)NCC3COc4ccccc4O3)c5ccccc5c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D17 compound treatment -0.107 -0.11863 -0.6183 -0.036 -0.05627 -0.3127 -0.084 -0.10638 -0.6016 -0.8848 -0.9643 3026807 ChemDiv3_007123 Clc1ccc(cc1)N2CCN(CC2)P3(=O)COc4ccccc4OC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D18 compound treatment 0.079 0.067374 0.3512 -0.045 -0.06527 -0.3627 -0.209 -0.23138 -1.3085 -0.7621 -0.5434 3118448 ChemDiv3_007124 Nc1cc(OC(=O)c2ccccc2)nn1S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D19 compound treatment -0.24 -0.25163 -1.3115 0.059 0.03873 0.2152 1.871 1.8486 7.4021 3.6406 0.4841 3026808 ChemDiv3_007125 COc1ccc2N(C)/C(=C/c3sc4ccccc4[n+]3C)/C=Cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D20 compound treatment -0.006 -0.017626 -0.0919 0.675 0.65473 3.6384 0.162 0.13962 0.7896 2.5035 0.6722 3118449 ChemDiv3_007126 CCOC(=O)c1cnc2ccc(OCC)cc2c1NC(C)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D21 compound treatment -0.018 -0.029626 -0.1544 -0.006 -0.02627 -0.146 0.061 0.03862 0.2184 -0.0473 -0.1554 1344877 ChemDiv3_007127 O=C(C1CN(C(=O)C1)c2ccccc2)N(Cc3ccccc3)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D22 compound treatment 1.263 1.2514 5.7945 0.281 0.26073 1.4489 -0.183 -0.20538 -1.1615 3.5114 0.5771 3026809 ChemDiv3_007128 CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)/sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D23 mock treatment 0.019 0.0073745 0.0384 0.094 0.07373 0.4097 0.02 -0.0023798 -0.0135 0.251 0.6095 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 D24 mock treatment 0.049 0.037374 0.1948 0.094 0.07373 0.4097 0.105 0.08262 0.4672 0.6188 0.9501 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E01 compound treatment 0.075 0.063374 0.3303 0.045 0.02473 0.1374 -0.035 -0.05738 -0.3245 0.0827 0.1712 3118450 ChemDiv3_007129 CC1CCN(C(C)C1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E02 compound treatment -0.086 -0.097626 -0.5088 -0.098 -0.11827 -0.6572 -0.106 -0.12838 -0.726 -1.0924 -0.9898 3026810 ChemDiv3_007130 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E03 compound treatment -0.034 -0.045626 -0.2378 -0.093 -0.11327 -0.6295 -0.046 -0.06838 -0.3867 -0.724 -0.9329 3118451 ChemDiv3_007131 CN(C1CCCCC1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E04 compound treatment -0.026 -0.037626 -0.1961 0.066 0.04573 0.2541 -0.101 -0.12338 -0.6977 -0.3693 -0.4809 3118452 ChemDiv3_007132 CCc1nc(SCS(=O)(=O)c2ccc(C)cc2)c(C#N)c3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E05 compound treatment 0.158 0.14637 0.7629 0.217 0.19673 1.0933 0.044 0.02162 0.1223 1.1423 0.8532 3026811 ChemDiv3_007133 CCSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E06 compound treatment 0.013 0.0013745 0.0072 0.186 0.16573 0.921 -0.045 -0.06738 -0.381 0.3159 0.3169 3118573 ChemDiv3_007134 OC(=O)c1ccn(Cn2cnc3ccccc23)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E07 compound treatment 0.19 0.17837 0.9297 0.088 0.06773 0.3764 0.09 0.06762 0.3824 0.9749 0.9082 3026812 ChemDiv3_007135 CC1NC(=O)C(=C(SCc2ccccc2)S1)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E08 compound treatment 0.099 0.087374 0.4554 0.055 0.03473 0.193 0.006 -0.01638 -0.0926 0.3209 0.6377 3118574 ChemDiv3_007136 Clc1cccc(NC(=O)CC2N(CCNC2=O)C(=O)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E09 compound treatment -0.013 -0.024626 -0.1284 0.127 0.10673 0.5931 -0.028 -0.05038 -0.2849 0.1038 0.1549 3118575 ChemDiv3_007137 COc1ccc(cc1Cl)C2Nn3c(C)nnc3SC2C(=O)NCc4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E10 compound treatment 0.137 0.12537 0.6535 0.116 0.09573 0.532 -0.065 -0.08738 -0.4941 0.3991 0.4086 3026813 ChemDiv3_007138 Clc1ccc(SCc2cc(=O)[nH]c(n2)N3CCN(Cc4ccc5OCOc5c4)CC3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E11 compound treatment 0.104 0.092374 0.4815 0.135 0.11473 0.6376 -0.101 -0.12338 -0.6977 0.2432 0.2293 3118576 ChemDiv3_007139 Cc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCC4CCCO4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E12 compound treatment 0.039 0.027374 0.1427 0.0 -0.02027 -0.1126 0.056 0.03362 0.1901 0.1271 0.4832 3026814 ChemDiv3_007140 CCOC(=O)C(C)N1c2cccc3cccc(c23)S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E13 compound treatment -0.016 -0.027626 -0.144 0.101 0.08073 0.4486 0.069 0.04662 0.2636 0.3281 0.6077 3118577 ChemDiv3_007141 CC(C)CN1CC(CC1=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E14 compound treatment -0.027 -0.038626 -0.2013 -0.072 -0.09227 -0.5128 0.049 0.02662 0.1505 -0.3254 -0.5697 3026815 ChemDiv3_007142 Clc1ccc2OCC(=O)N(CC(=O)N3CCCC3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E15 compound treatment -0.138 -0.14963 -0.7799 -0.065 -0.08527 -0.4739 -0.027 -0.04938 -0.2793 -0.8851 -0.9274 1116771 ChemDiv3_007143 OC(=O)Cc1nc2ccccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E16 compound treatment -0.018 -0.029626 -0.1544 -0.006 -0.02627 -0.146 -0.16 -0.18238 -1.0314 -0.7689 -0.7302 3118578 ChemDiv3_007144 Clc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E17 compound treatment 0.102 0.090374 0.4711 0.0 -0.02027 -0.1126 0.342 0.31962 1.8075 1.2505 0.6683 1549546 ChemDiv3_007145 Cn1c(NCc2ccco2)nc3n(C)c(=O)n(C)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E18 compound treatment -0.128 -0.13963 -0.7278 -0.085 -0.10527 -0.585 0.472 0.44962 2.5427 0.7101 0.2622 3118579 ChemDiv3_007146 Cc1ccc2c(C)nc(NC(=N)NS(=O)(=O)c3ccccc3)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E19 compound treatment -0.19 -0.20163 -1.0509 0.053 0.03273 0.1819 0.14 0.11762 0.6652 -0.1177 -0.0936 3026816 ChemDiv3_007147 COc1ccc(NC(=O)C(C)C2SC(=O)NC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E20 compound treatment -0.128 -0.13963 -0.7278 0.103 0.08273 0.4597 0.093 0.07062 0.3994 0.0758 0.0799 3118580 ChemDiv3_007148 Cc1cccc(c1)C2=NC(c3c(N2)n(C)c(=O)n(C)c3=O)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E21 compound treatment -0.057 -0.068626 -0.3577 0.098 0.07773 0.432 -0.039 -0.06138 -0.3471 -0.1575 -0.2388 3026817 ChemDiv3_007149 CCC1=C(C(c2ccc(Br)cc2)n3ncnc3N1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E22 compound treatment -0.113 -0.12463 -0.6496 0.086 0.06573 0.3653 -0.194 -0.21638 -1.2237 -0.8706 -0.6077 3118581 ChemDiv3_007150 CC1(C)CC(=O)C2=C(C1)N(Cc3ccco3)C(=O)NC2(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E23 mock treatment 0.021 0.0093745 0.0489 0.243 0.22273 1.2377 -0.072 -0.09438 -0.5337 0.4347 0.3223 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 E24 mock treatment 0.049 0.037374 0.1948 0.172 0.15173 0.8432 0.194 0.17162 0.9705 1.1596 0.8918 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F01 compound treatment -0.214 -0.22563 -1.176 0.248 0.22773 1.2655 -0.248 -0.27038 -1.529 -0.8311 -0.3602 1293985 ChemDiv3_007151 Oc1c(ccc2cccnc12)C(Nc3cccc(Cl)c3)c4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F02 compound treatment 0.048 0.036374 0.1896 -0.06 -0.08027 -0.4461 -0.142 -0.16438 -0.9296 -0.6848 -0.6532 3118582 ChemDiv3_007152 CC(NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F03 compound treatment 0.127 0.11537 0.6014 0.013 -0.00727 -0.0404 0.279 0.25662 1.4512 1.1617 0.7393 1225945 ChemDiv3_007153 OC1(CCN(CC1C(=O)c2ccccc2)C3CCS(=O)(=O)C3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F04 compound treatment 0.134 0.12237 0.6378 0.038 0.01773 0.0985 -0.069 -0.09138 -0.5168 0.1268 0.1533 3118583 ChemDiv3_007154 O=C(CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F05 compound treatment -0.118 -0.12963 -0.6756 0.025 0.00473 0.0263 0.29 0.26762 1.5134 0.4989 0.301 3026871 ChemDiv3_007155 CCN(CC)CCN1CN(C(=O)c2ccccc2)c3sc(C)c(C)c3C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F06 compound treatment 0.053 0.041374 0.2157 0.127 0.10673 0.5931 -0.11 -0.13238 -0.7486 0.0347 0.0355 3118584 ChemDiv3_007156 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cccs3)/C(=O)N(C2=S)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F07 compound treatment 1.62 1.6084 6.4759 0.538 0.51773 2.8771 -0.047 -0.06938 -0.3924 5.1735 0.7289 1868012 ChemDiv3_007157 CNC(=O)Cc1coc2ccc3ccccc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F08 compound treatment 0.158 0.14637 0.7629 -0.023 -0.04327 -0.2405 0.045 0.02262 0.1279 0.3755 0.4635 3118585 ChemDiv3_007158 O=C(CSc1ncccn1)Nc2nccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F09 compound treatment -0.057 -0.068626 -0.3577 0.115 0.09473 0.5264 0.193 0.17062 0.9649 0.6545 0.5662 3026872 ChemDiv3_007159 Cc1ccc2cc3CCN(Cc4ccco4)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F10 compound treatment 0.065 0.053374 0.2782 0.007 -0.01327 -0.0737 -0.007 -0.02938 -0.1661 0.0221 0.0666 3118586 ChemDiv3_007160 CCOc1cccc(NC(=O)C2CC(=O)N(/N=C(\C)/c3ccc(Br)s3)C(=N)S2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F11 compound treatment -0.134 -0.14563 -0.759 -0.019 -0.03927 -0.2182 -0.066 -0.08838 -0.4998 -0.8528 -0.9124 3118587 ChemDiv3_007161 CCOC(=O)c1ccc2nc(nc(NCCCc3ccccc3)c2c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F12 compound treatment 0.154 0.14237 0.7421 -0.114 -0.13427 -0.7462 -0.026 -0.04838 -0.2736 -0.1603 -0.1474 1635368 ChemDiv3_007162 O=C(NCc1ccccc1)c2ccc3c(=O)n(CCc4ccccc4)c(SCC#N)nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F13 compound treatment 0.041 0.029374 0.1531 -0.119 -0.13927 -0.7739 0.078 0.05562 0.3145 -0.1768 -0.2082 3118588 ChemDiv3_007163 Cc1cc2OC(=C(C#N)C(c3cccc(F)c3)c2c(=O)n1CCN4CCOCC4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F14 compound treatment -0.211 -0.22263 -1.1604 -0.007 -0.02727 -0.1515 0.054 0.03162 0.1788 -0.6542 -0.5526 1650732 ChemDiv3_007164 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NCc4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F15 compound treatment -0.026 -0.037626 -0.1961 -0.033 -0.05327 -0.296 0.128 0.10562 0.5973 0.0607 0.0874 3026873 ChemDiv3_007165 CC(C)c1ccc(cc1)C2C(=C(N)Oc3cc(C)[nH]c(=O)c23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F16 compound treatment -0.067 -0.078626 -0.4098 -0.006 -0.02627 -0.146 0.03 0.0076202 0.0431 -0.296 -0.6771 1236286 ChemDiv3_007166 O=C(CCN1C(=O)C2CC=CCC2C1=O)N3CCN(CC3)c4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F17 compound treatment 0.264 0.25237 1.3154 0.17 0.14973 0.8321 0.059 0.03662 0.2071 1.3594 0.8658 3026874 ChemDiv3_007167 O=P1(COc2ccccc2OC1)Nc3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F18 compound treatment 0.026 0.014374 0.0749 -0.031 -0.05127 -0.2849 -0.264 -0.28638 -1.6195 -1.0563 -0.6417 3026875 ChemDiv3_007168 COc1ccc(cc1)S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F19 compound treatment -0.027 -0.038626 -0.2013 -0.095 -0.11527 -0.6406 -0.054 -0.07638 -0.4319 -0.7355 -0.9212 3118589 ChemDiv3_007169 COc1cccc(c1)C(=O)NC(NCC2CCCO2)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F20 compound treatment 0.147 0.13537 0.7056 -0.155 -0.17527 -0.974 0.188 0.16562 0.9366 0.3858 0.2531 1723594 ChemDiv3_007170 CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F21 compound treatment 0.012 3.7448E-4 0.002 -0.053 -0.07327 -0.4072 -0.012 -0.03438 -0.1944 -0.3462 -0.7673 1579177 ChemDiv3_007171 OP(=O)(CN1CCCCC1)CN2CCCCCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F22 compound treatment -0.045 -0.056626 -0.2951 -0.101 -0.12127 -0.6739 -0.101 -0.12338 -0.6977 -0.9623 -0.9491 3118590 ChemDiv3_007172 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)/N=c\3/sc4cccc(Cl)c4n3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F23 mock treatment -0.006 -0.017626 -0.0919 0.093 0.07273 0.4042 -0.04 -0.06238 -0.3528 -0.0234 -0.0429 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 F24 mock treatment -0.042 -0.053626 -0.2795 0.123 0.10273 0.5709 0.027 0.0046202 0.0261 0.1833 0.2881 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G01 compound treatment -0.128 -0.13963 -0.7278 -0.069 -0.08927 -0.4961 -0.028 -0.05038 -0.2849 -0.8711 -0.941 3026876 ChemDiv3_007173 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCCCCC3)n2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G02 compound treatment -0.068 -0.079626 -0.415 -0.211 -0.23127 -1.2852 0.048 0.02562 0.1449 -0.898 -0.6611 3118591 ChemDiv3_007174 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G03 compound treatment 0.079 0.067374 0.3512 0.031 0.01073 0.0596 -0.092 -0.11438 -0.6468 -0.1363 -0.1846 3026877 ChemDiv3_007175 CSc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G04 compound treatment -0.03 -0.041626 -0.217 0.11 0.08973 0.4986 -0.083 -0.10538 -0.5959 -0.1814 -0.2249 3118592 ChemDiv3_007176 CC1(C)CC(CCO1)N(Cc2cccs2)C(=O)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G05 compound treatment 0.083 0.071374 0.372 0.124 0.10373 0.5764 0.086 0.06362 0.3598 0.7553 0.975 3118593 ChemDiv3_007177 CCSC1=C(C#N)C(=O)NC(S1)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G06 compound treatment -0.577 -0.58863 -3.0681 -0.395 -0.41527 -2.3077 0.908 0.88562 5.0083 -0.2121 -0.0336 3026878 ChemDiv3_007178 OC(=O)/C=C/c1ccc2c(onc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G07 compound treatment -0.129 -0.14063 -0.733 -0.132 -0.15227 -0.8462 -0.038 -0.06038 -0.3415 -1.1089 -0.9474 3118594 ChemDiv3_007179 Cc1csc2nc(=O)c(nn12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G08 compound treatment -0.052 -0.063626 -0.3316 -0.057 -0.07727 -0.4294 -0.061 -0.08338 -0.4715 -0.7116 -0.99 3026879 ChemDiv3_007180 CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G09 compound treatment -0.012 -0.023626 -0.1231 0.018 -0.00227 -0.0126 0.006 -0.01638 -0.0926 -0.1319 -0.8529 3118595 ChemDiv3_007181 Cc1cccc(NC(=O)C2Sc3nnc(c4ccccc4)n3NC2c5ccccc5)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G10 compound treatment 0.024 0.012374 0.0645 -0.089 -0.10927 -0.6072 0.052 0.02962 0.1675 -0.2166 -0.3421 3118596 ChemDiv3_007182 CCC(=O)N1CCNC(=O)C1CC(=O)Nc2ccc(C)c(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G11 compound treatment 0.127 0.11537 0.6014 0.006 -0.01427 -0.0793 -0.247 -0.26938 -1.5234 -0.5781 -0.3526 1170868 ChemDiv3_007183 Cn1c(=O)c(Nc2ccccc2)c3-c4ccccc4C(=O)c5cccc1c53 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G12 compound treatment 0.053 0.041374 0.2157 -0.018 -0.03827 -0.2127 -0.06 -0.08238 -0.4659 -0.2673 -0.4809 3026880 ChemDiv3_007184 CCc1nnc2sc(nn12)c3ccc(N)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G13 compound treatment -0.07 -0.081626 -0.4255 -0.153 -0.17327 -0.9629 0.028 0.0056202 0.0318 -0.7832 -0.7437 3118721 ChemDiv3_007185 CC(C)(CO)C1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G14 compound treatment 0.146 0.13437 0.7004 0.013 -0.00727 -0.0404 0.573 0.55062 3.1139 2.1788 0.6826 3118722 ChemDiv3_007186 Cn1cccc1CNCCc2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G15 compound treatment -0.152 -0.16363 -0.8529 -0.019 -0.03927 -0.2182 0.013 -0.0093798 -0.053 -0.649 -0.7359 3026881 ChemDiv3_007187 Oc1cccnc1NC(=O)CCC2COc3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G16 compound treatment 0.065 0.053374 0.2782 0.025 0.00473 0.0263 0.013 -0.0093798 -0.053 0.1452 0.5104 3118723 ChemDiv3_007188 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCc4ccccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G17 compound treatment 0.012 3.7448E-4 0.002 0.228 0.20773 1.1544 0.0 -0.02238 -0.1266 0.5945 0.512 3118724 ChemDiv3_007189 Cc1ccc(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G18 compound treatment 1.411 1.3994 6.0993 0.79 0.76973 4.2775 -0.037 -0.05938 -0.3358 5.7972 0.7774 3026882 ChemDiv3_007190 CCOC(=O)c1cnc(Nc2nc3ccccc3s2)nc1CSc4ncccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G19 compound treatment -0.018 -0.029626 -0.1544 0.042 0.02173 0.1208 -0.051 -0.07338 -0.415 -0.259 -0.5644 3118725 ChemDiv3_007191 CC(C1SC(=O)NC1=O)C(=O)Nc2nccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G20 compound treatment -0.024 -0.035626 -0.1857 0.03 0.00973 0.0541 -0.157 -0.17938 -1.0144 -0.6617 -0.6407 3026883 ChemDiv3_007192 FC(F)(F)C1(N=C(NC(=N1)c2ccccc2)c3ccccc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G21 compound treatment -0.087 -0.098626 -0.5141 -0.029 -0.04927 -0.2738 -0.128 -0.15038 -0.8504 -0.9459 -0.9176 3026933 ChemDiv3_007193 NC(=O)c1cc(C(=O)Nc2ccccc2)c(N)nc1SCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G22 compound treatment 0.107 0.095374 0.4971 0.112 0.09173 0.5098 0.066 0.04362 0.2467 0.7237 0.9604 3118726 ChemDiv3_007194 CC1=C(C#N)C(N=C(N1)C2CCCCC2)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G23 mock treatment 0.023 0.011374 0.0593 -0.081 -0.10127 -0.5628 0.013 -0.0093798 -0.053 -0.3213 -0.5653 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 G24 mock treatment 0.036 0.024374 0.127 -0.085 -0.10527 -0.585 0.059 0.03662 0.2071 -0.1448 -0.2286 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H01 compound treatment 0.013 0.0013745 0.0072 -0.006 -0.02627 -0.146 -0.122 -0.14438 -0.8165 -0.5516 -0.6649 1322971 ChemDiv3_007195 CC(C)c1ccc(cc1)C(Nc2nccs2)c3c(C)[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H02 compound treatment 0.0 -0.011626 -0.0606 -0.181 -0.20127 -1.1185 -0.232 -0.25438 -1.4386 -1.5113 -0.8289 3118727 ChemDiv3_007196 Cc1ccc(cc1)N(CC(=O)NCc2ccco2)S(=O)(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H03 compound treatment 0.037 0.025374 0.1323 -0.026 -0.04627 -0.2571 -0.05 -0.07238 -0.4093 -0.3084 -0.6154 1679882 ChemDiv3_007197 Cc1[nH]c2ccccc2c1C(O)c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H04 compound treatment -0.068 -0.079626 -0.415 -0.137 -0.15727 -0.874 -0.163 -0.18538 -1.0484 -1.3495 -0.946 3118728 ChemDiv3_007198 COc1ccc(CN/C(=N\c2ccccc2)/SC3CC(=O)NC3=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H05 compound treatment -0.074 -0.085626 -0.4463 -0.056 -0.07627 -0.4238 0.055 0.03262 0.1845 -0.3959 -0.6161 3118729 ChemDiv3_007199 Cc1sc2N(CN(Cc3ccco3)Cc2c1C)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H06 compound treatment 0.032 0.020374 0.1062 -0.112 -0.13227 -0.735 -0.019 -0.04138 -0.234 -0.4982 -0.6398 3026934 ChemDiv3_007200 CCN1C(=O)/C(=C\C=C\2/Sc3ccc(Cl)cc3N2C)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H07 compound treatment -0.057 -0.068626 -0.3577 1.11 1.0897 5.7527 -0.31 -0.33238 -1.8797 2.0296 0.3348 3118730 ChemDiv3_007201 Cc1ccc2cc3CCN(c3nc2c1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H08 compound treatment 0.053 0.041374 0.2157 0.229 0.20873 1.1599 -0.166 -0.18838 -1.0653 0.1791 0.1127 1574479 ChemDiv3_007202 O=C(CCSc1ccccc1)NC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H09 compound treatment -0.037 -0.048626 -0.2534 -0.118 -0.13827 -0.7684 0.03 0.0076202 0.0431 -0.5651 -0.6974 3118731 ChemDiv3_007203 Cc1ccc2cc3CCN(c3nc2c1)c4ccc(cc4)C(=O)NCc5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H10 compound treatment -0.077 -0.088626 -0.4619 0.05 0.02973 0.1652 0.056 0.03362 0.1901 -0.0615 -0.117 1738369 ChemDiv3_007204 CCC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H11 compound treatment 0.0 -0.011626 -0.0606 -0.11 -0.13027 -0.7239 -0.006 -0.02838 -0.1605 -0.5456 -0.7334 3026935 ChemDiv3_007205 CCOC(=O)c1ccc2nc(nc(N3CC(C)OC(C)C3)c2c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H12 compound treatment 0.429 0.41737 2.1755 -0.151 -0.17127 -0.9518 -0.038 -0.06038 -0.3415 0.5093 0.2123 1558178 ChemDiv3_007206 CCCCn1c(SCC(=O)OCC)nc2n(CCc3ccccc3)c(=S)sc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H13 compound treatment -0.331 -0.34263 -1.7858 0.038 0.01773 0.0985 0.107 0.08462 0.4785 -0.6979 -0.3769 3118732 ChemDiv3_007207 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1CCCn4ccnc4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H14 compound treatment -0.086 -0.097626 -0.5088 -0.089 -0.10927 -0.6072 -0.006 -0.02838 -0.1605 -0.737 -0.9118 1230528 ChemDiv3_007208 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)Nc4ccc(C)c(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H15 compound treatment 0.07 0.058374 0.3043 -0.027 -0.04727 -0.2627 -0.021 -0.04338 -0.2453 -0.1176 -0.2498 3118733 ChemDiv3_007209 N(c1ccccc1)c2ccc(nn2)n3ccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H16 compound treatment -0.167 -0.17863 -0.931 -0.152 -0.17227 -0.9573 -0.071 -0.09338 -0.5281 -1.3951 -0.9715 3026936 ChemDiv3_007210 CC(C)c1ccc(NC(=O)c2coc(=O)c3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H17 compound treatment -0.099 -0.11063 -0.5766 -0.112 -0.13227 -0.735 -0.036 -0.05838 -0.3301 -0.9479 -0.9567 3118734 ChemDiv3_007211 CC(C)c1ccc(C)c(OP2(=O)COc3ccccc3OC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H18 compound treatment -0.042 -0.053626 -0.2795 -0.194 -0.21427 -1.1907 -0.025 -0.04738 -0.2679 -1.0035 -0.8015 3026937 ChemDiv3_007212 CCOC(=O)c1cnc2cc(ccc2c1N(C)Cc3ccccc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H19 compound treatment -0.032 -0.043626 -0.2274 -0.21 -0.23027 -1.2796 -0.139 -0.16138 -0.9126 -1.397 -0.8797 3118735 ChemDiv3_007213 Cc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H20 compound treatment 0.05 0.038374 0.2 -0.145 -0.16527 -0.9184 -0.093 -0.11538 -0.6525 -0.7915 -0.6917 3118736 ChemDiv3_007214 CCOC(=O)c1cnc2ccc(OCC)cc2c1N3CCN(CC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H21 compound treatment -0.056 -0.067626 -0.3525 -0.006 -0.02627 -0.146 -0.019 -0.04138 -0.234 -0.4229 -0.9449 3026938 ChemDiv3_007215 Cc1ccccc1/N=C/c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H22 compound treatment -0.109 -0.12063 -0.6287 -0.019 -0.03927 -0.2182 0.007 -0.01538 -0.087 -0.5392 -0.8034 3118737 ChemDiv3_007216 CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)/sc4c1ccc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H23 mock treatment -0.091 -0.10263 -0.5349 -0.059 -0.07927 -0.4405 -0.052 -0.07438 -0.4206 -0.806 -0.9943 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 H24 mock treatment -0.016 -0.027626 -0.144 0.019 -0.00127 -0.0071 0.0 -0.02238 -0.1266 -0.1603 -0.8355 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I01 compound treatment -0.078 -0.089626 -0.4671 -0.259 -0.27927 -1.5519 -0.069 -0.09138 -0.5168 -1.4641 -0.8607 3026939 ChemDiv3_007217 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCc4ccccc34)n2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I02 compound treatment 0.048 0.036374 0.1896 -0.12 -0.14027 -0.7795 -0.022 -0.04438 -0.251 -0.4855 -0.5776 3118738 ChemDiv3_007218 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCCn4ccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I03 compound treatment 0.04 0.028374 0.1479 0.046 0.02573 0.143 0.108 0.08562 0.4842 0.4475 0.8506 3026940 ChemDiv3_007219 Cc1cc(nc(SCc2ccc(o2)C(=O)O)n1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I04 compound treatment -0.143 -0.15463 -0.8059 0.045 0.02473 0.1374 0.031 0.0086202 0.0487 -0.3578 -0.4369 3118739 ChemDiv3_007220 COc1ccc(Br)cc1C(=O)N2Cc3cc(OC)c(OC)cc3C4(CCCC4)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I05 compound treatment 0.373 0.36137 1.8836 0.573 0.55273 3.0716 -0.013 -0.03538 -0.2001 2.7454 0.7608 3026941 ChemDiv3_007221 CCSC1=C(C#N)C(=O)NC(S1)c2ccc(OC)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I06 compound treatment 0.16 0.14837 0.7734 -0.056 -0.07627 -0.4238 -0.241 -0.26338 -1.4895 -0.6581 -0.3802 3118740 ChemDiv3_007222 Clc1ccc(cc1)c2onc3cc(ccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I07 compound treatment -0.014 -0.025626 -0.1336 -0.007 -0.02727 -0.1515 0.342 0.31962 1.8075 0.879 0.4833 3026942 ChemDiv3_007223 O=C/1Nc2ccccc2\C1=C\C=C\c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I08 compound treatment 0.114 0.10237 0.5336 0.014 -0.00627 -0.0348 -0.006 -0.02838 -0.1605 0.1953 0.3498 3118741 ChemDiv3_007224 CCCn1c2ccc(C)cc2c3nnc(SCCN4CCOCC4)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I09 compound treatment -0.259 -0.27063 -1.4106 -0.006 -0.02627 -0.146 0.09 0.06762 0.3824 -0.6779 -0.4615 3118742 ChemDiv3_007225 O=C(C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4)N5CCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I10 compound treatment -0.127 -0.13863 -0.7225 0.032 0.01173 0.0652 -0.088 -0.11038 -0.6242 -0.7399 -0.7731 3026943 ChemDiv3_007226 CCC(=O)N1C(CC(=O)Nc2ccc(F)cc2)C(=O)NC3CCCCC31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I11 compound treatment 0.048 0.036374 0.1896 -0.014 -0.03427 -0.1904 -0.232 -0.25438 -1.4386 -0.831 -0.5679 1866671 ChemDiv3_007227 O=C1c2ccccc2-c3c(NCCc4ccccc4)c(=O)[nH]c5cccc1c35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I12 compound treatment 0.047 0.035374 0.1844 0.014 -0.00627 -0.0348 0.008 -0.01438 -0.0813 0.0394 0.1926 3118743 ChemDiv3_007228 COC(=O)C1=C(C)OC(=C(C#N)C1c2cc(C)cc(Cn3ccc(n3)C(F)(F)F)c2C)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I13 compound treatment -0.075 -0.086626 -0.4515 -0.056 -0.07627 -0.4238 0.313 0.29062 1.6435 0.4435 0.2525 3026944 ChemDiv3_007229 Nc1cccc(c1)c2ccc(CO)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I14 compound treatment -0.082 -0.093626 -0.488 -0.036 -0.05627 -0.3127 -0.03 -0.05238 -0.2962 -0.6333 -0.973 3118744 ChemDiv3_007230 COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I15 compound treatment -0.054 -0.065626 -0.3421 0.097 0.07673 0.4264 -0.062 -0.08438 -0.4772 -0.2268 -0.3126 3026945 ChemDiv3_007231 NS(=O)(=O)c1ccc(NC(=O)CCC2COc3ccccc3O2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I16 compound treatment 0.059 0.047374 0.2469 -0.039 -0.05927 -0.3294 0.006 -0.01638 -0.0926 -0.1011 -0.2396 1398603 ChemDiv3_007232 Nc1nonc1N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I17 compound treatment 0.11 0.098374 0.5128 0.146 0.12573 0.6987 -0.026 -0.04838 -0.2736 0.5415 0.5958 3118745 ChemDiv3_007233 COc1ccc(OC)c(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I18 compound treatment -0.178 -0.18963 -0.9884 -0.1 -0.12027 -0.6684 0.136 0.11362 0.6425 -0.5855 -0.4321 3026838 ChemDiv3_007234 CC1CC(=O)c2cnc(nc2C1)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I19 compound treatment 0.127 0.11537 0.6014 0.096 0.07573 0.4208 -0.116 -0.13838 -0.7826 0.1384 0.129 3118881 ChemDiv3_007235 COC(=O)c1ccc(CSc2nc(cc(n2)C(F)(F)F)c3cccs3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I20 compound treatment -0.065 -0.076626 -0.3994 -0.049 -0.06927 -0.3849 -0.019 -0.04138 -0.234 -0.5879 -0.9766 3026840 ChemDiv3_007236 NC1=C(C#N)C(N=C2SCCN21)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I21 compound treatment -0.16 -0.17163 -0.8946 -0.106 -0.12627 -0.7017 -0.058 -0.08038 -0.4546 -1.184 -0.967 3118882 ChemDiv3_007237 CCc1cc(C(N2CCN(CCO)CC2)c3ccc(Cl)cc3)c(NC(=O)c4ccccc4)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I22 compound treatment 0.052 0.040374 0.2104 0.106 0.08573 0.4764 0.05 0.02762 0.1562 0.4867 0.8952 3026842 ChemDiv3_007238 CCCCN1C(=NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I23 mock treatment 0.199 0.18737 0.9766 0.137 0.11673 0.6487 -0.02 -0.04238 -0.2397 0.8 0.6685 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 I24 mock treatment -0.022 -0.033626 -0.1753 -0.18 -0.20027 -1.1129 -0.062 -0.08438 -0.4772 -1.0192 -0.833 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J01 compound treatment -0.113 -0.12463 -0.6496 -0.15 -0.17027 -0.9462 0.173 0.15062 0.8518 -0.4296 -0.3005 3026843 ChemDiv3_007239 Oc1ccc(CNc2cccc(c2)C(F)(F)F)c3cccnc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J02 compound treatment 0.006 -0.0056255 -0.0293 0.088 0.06773 0.3764 -0.099 -0.12138 -0.6864 -0.1959 -0.2501 3118883 ChemDiv3_007240 Oc1ccc(Cl)cc1/C=N/c2ccc3nc(SCC=C)sc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J03 compound treatment -0.027 -0.038626 -0.2013 -0.059 -0.07927 -0.4405 0.305 0.28262 1.5983 0.5522 0.3306 1273454 ChemDiv3_007241 COc1ccc(cc1)C(N2CCOCC2)c3ccc4cccnc4c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J04 compound treatment 0.211 0.19937 1.0392 0.012 -0.00827 -0.046 0.255 0.23262 1.3155 1.333 0.7948 3026846 ChemDiv3_007242 O=C1CCCC(=O)C1=CNc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J05 compound treatment -0.106 -0.11763 -0.6131 -0.018 -0.03827 -0.2127 -0.006 -0.02838 -0.1605 -0.5694 -0.8518 3118884 ChemDiv3_007243 Cc1cccc(C)c1OCc2nnc(CCc3ccccc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J06 compound treatment -0.127 -0.13863 -0.7225 -0.019 -0.03927 -0.2182 -0.25 -0.27238 -1.5404 -1.4325 -0.8351 1651075 ChemDiv3_007244 O=C1N(N=C2CCCCCC2)C(Nc3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J07 compound treatment 0.128 0.11637 0.6066 0.0 -0.02027 -0.1126 0.118 0.09562 0.5408 0.5974 0.7282 3118885 ChemDiv3_007245 FC(F)(F)c1c(C#N)c(SCc2ccccc2Cl)nc3-c4ccoc4CCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J08 compound treatment -0.39 -0.40163 -2.0934 0.056 0.03573 0.1986 0.297 0.27462 1.553 -0.1973 -0.0755 1275637 ChemDiv3_007246 Fc1ccccc1C(=O)NCC(=O)NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J09 compound treatment 0.041 0.029374 0.1531 -0.086 -0.10627 -0.5906 0.084 0.06162 0.3485 -0.0514 -0.0731 3026850 ChemDiv3_007247 CC12CNC3(CO)CC2CCC13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J10 compound treatment 0.133 0.12137 0.6326 -0.069 -0.08927 -0.4961 0.221 0.19862 1.1232 0.7273 0.5266 3118886 ChemDiv3_007248 O=C(CSc1nnc(c2cccnc2)n1c3ccccc3)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J11 compound treatment -0.065 -0.076626 -0.3994 -0.036 -0.05627 -0.3127 -0.288 -0.31038 -1.7553 -1.4245 -0.7797 3026852 ChemDiv3_007249 CCOC(=O)c1ccc2nc(nc(N3CCCCC3)c2c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J12 compound treatment 0.012 3.7448E-4 0.002 0.023 0.00273 0.0152 -0.041 -0.06338 -0.3584 -0.1971 -0.5493 1632505 ChemDiv3_007250 COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J13 compound treatment 0.007 -0.0046255 -0.0241 0.116 0.09573 0.532 -0.161 -0.18338 -1.037 -0.3055 -0.2621 3118887 ChemDiv3_007251 Cc1cc2OC(=C(C#N)C(c3cccs3)c2c(=O)n1CC4CCCO4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J14 compound treatment 0.123 0.11137 0.5805 0.128 0.10773 0.5987 -0.11 -0.13238 -0.7486 0.2486 0.2218 1147245 ChemDiv3_007252 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCC(CC4)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J15 compound treatment -0.137 -0.14863 -0.7747 0.013 -0.00727 -0.0404 0.014 -0.0083798 -0.0474 -0.4979 -0.6407 3026904 ChemDiv3_007253 Oc1ccc(Nc2nc(N3CCOCC3)c4ccccc4n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J16 compound treatment 0.13 0.11837 0.617 0.095 0.07473 0.4153 0.031 0.0086202 0.0487 0.6241 0.8374 3118888 ChemDiv3_007254 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCNC(=O)Cn3cnc4sc5CCCCc5c4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J17 compound treatment -0.055 -0.066626 -0.3473 0.044 0.02373 0.1319 0.143 0.12062 0.6821 0.2695 0.3469 3026906 ChemDiv3_007255 COC(=O)c1ccc(OP2(=O)COc3ccccc3OC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J18 compound treatment -0.149 -0.16063 -0.8372 0.088 0.06773 0.3764 -0.158 -0.18038 -1.0201 -0.855 -0.6231 3026908 ChemDiv3_007256 CCOC(=O)c1cnc2cc(ccc2c1N3CCCCCC3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J19 compound treatment -0.033 -0.044626 -0.2326 -0.081 -0.10127 -0.5628 1.378 1.3556 6.4956 3.2911 0.5044 3118889 ChemDiv3_007257 Oc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J20 compound treatment -0.041 -0.052626 -0.2743 0.202 0.18173 1.0099 -0.084 -0.10638 -0.6016 0.0774 0.0641 1384020 ChemDiv3_007258 O=C(N(C1CCCCC1)c2ccccc2)c3cnc4SCCn4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J21 compound treatment -0.094 -0.10563 -0.5505 0.057 0.03673 0.2041 -0.106 -0.12838 -0.726 -0.6192 -0.6631 3026911 ChemDiv3_007259 CSc1nc(=O)c(Cc2ccccc2)n[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J22 compound treatment 0.102 0.090374 0.4711 0.013 -0.00727 -0.0404 0.084 0.06162 0.3485 0.4498 0.7659 1518725 ChemDiv3_007260 COc1ccc(cc1)C(=O)NCCn2cc(SC(C)c3ccccc3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J23 mock treatment 0.047 0.035374 0.1844 -0.024 -0.04427 -0.246 0.09 0.06762 0.3824 0.1852 0.3774 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 J24 mock treatment 0.067 0.055374 0.2886 -0.082 -0.10227 -0.5683 -0.097 -0.11938 -0.6751 -0.5513 -0.5937 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K01 compound treatment 0.095 0.083374 0.4346 0.007 -0.01327 -0.0737 0.007 -0.01538 -0.087 0.1581 0.3519 1788828 ChemDiv3_007261 O=C(N1CCc2ccccc2C1)c3nc4ncccn4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K02 compound treatment 0.033 0.021374 0.1114 -0.028 -0.04827 -0.2682 0.066 0.04362 0.2467 0.0519 0.1361 3118890 ChemDiv3_007262 CC(=O)Oc1cc2c(C(=O)N3CCCC3)c(C)oc2c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K03 compound treatment 0.119 0.10737 0.5597 0.104 0.08373 0.4653 0.041 0.01862 0.1053 0.6526 0.8874 3026914 ChemDiv3_007263 CCOC(=O)c1cnn2c(cc(C)nc12)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K04 compound treatment 0.066 0.054374 0.2834 0.051 0.03073 0.1708 0.376 0.35362 1.9998 1.4168 0.699 3118891 ChemDiv3_007264 Nc1ccc2[nH]c(CCC(=O)O)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K05 compound treatment 0.092 0.080374 0.4189 0.071 0.05073 0.2819 -0.006 -0.02838 -0.1605 0.312 0.5888 1026774 ChemDiv3_007265 COc1ccc(cc1)[n+]2cc(O)on2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K06 compound treatment 0.032 0.020374 0.1062 0.163 0.14273 0.7932 -0.229 -0.25138 -1.4216 -0.3015 -0.1848 3118892 ChemDiv3_007266 Cc1cc2C(=O)C(=C(C(=O)c2cc1C)c3ccccc3)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K07 compound treatment -0.076 -0.087626 -0.4567 -0.126 -0.14627 -0.8128 -0.318 -0.34038 -1.9249 -1.8443 -0.8623 3026917 ChemDiv3_007267 CCc1cccc2c(c[nH]c12)C(C(=O)c3ccccc3)c4c[nH]c5c(CC)cccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K08 compound treatment 0.0 -0.011626 -0.0606 0.216 0.19573 1.0877 -0.056 -0.07838 -0.4433 0.3371 0.2866 3118893 ChemDiv3_007268 OCC1CCCN1CC2CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K09 compound treatment -0.067 -0.078626 -0.4098 -0.171 -0.19127 -1.0629 0.013 -0.0093798 -0.053 -0.8809 -0.7724 3118894 ChemDiv3_007269 CC(C)CNC(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K10 compound treatment 0.017 0.0053745 0.028 0.012 -0.00827 -0.046 0.033 0.01062 0.0601 0.0243 0.3015 3026967 ChemDiv3_007270 Cn1c(=O)n(C)c2nc(ncc2c1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K11 compound treatment -0.087 -0.098626 -0.5141 -0.023 -0.04327 -0.2405 -0.118 -0.14038 -0.7939 -0.894 -0.9161 1131768 ChemDiv3_007271 CC(=O)Nc1ccc(Nc2c3-c4ccccc4C(=O)c5cccc([nH]c2=O)c53)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K12 compound treatment -0.063 -0.074626 -0.389 -0.086 -0.10627 -0.5906 -0.006 -0.02838 -0.1605 -0.6582 -0.9077 3026969 ChemDiv3_007272 CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)NC1c3cc(C)ccc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K13 compound treatment 0.056 0.044374 0.2313 0.062 0.04173 0.2319 -0.044 -0.06638 -0.3754 0.0507 0.1018 3118895 ChemDiv3_007273 O=C1/C(=C/Nc2ccccc2c3nc4ccccc4c(=O)o3)/Sc5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K14 compound treatment 0.026 0.014374 0.0749 -0.125 -0.14527 -0.8073 0.211 0.18862 1.0667 0.193 0.1441 3026972 ChemDiv3_007274 O=C(CSc1nc2ccccc2nc1N3CCCC3)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K15 compound treatment -0.068 -0.079626 -0.415 0.049 0.02873 0.1597 0.041 0.01862 0.1053 -0.0866 -0.1896 3118896 ChemDiv3_007275 NS(=O)(=O)c1ccc(CCNC(=O)CCC2COc3ccccc3O2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K16 compound treatment 0.163 0.15137 0.789 0.318 0.29773 1.6545 0.0 -0.02238 -0.1266 1.3377 0.728 3118897 ChemDiv3_007276 CCN(CC)CCn1c(=N)n(Cc2ccc(cc2)C(C)(C)C)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K17 compound treatment -0.127 -0.13863 -0.7225 -0.059 -0.07927 -0.4405 -0.026 -0.04838 -0.2736 -0.8295 -0.9326 1582818 ChemDiv3_007277 CCC(=O)Nc1nonc1c2nc3ccccc3n2CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K18 compound treatment -0.246 -0.25763 -1.3428 -0.221 -0.24127 -1.3408 0.273 0.25062 1.4173 -0.7311 -0.3087 3118898 ChemDiv3_007278 Cc1ccc(cc1)S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K19 compound treatment 0.127 0.11537 0.6014 -0.124 -0.14427 -0.8017 0.064 0.04162 0.2354 0.0202 0.0196 3026975 ChemDiv3_007279 Cc1ccc(o1)C(O)C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K20 compound treatment -0.057 -0.068626 -0.3577 0.044 0.02373 0.1319 0.0 -0.02238 -0.1266 -0.2034 -0.5065 3118899 ChemDiv3_007280 Cc1ccc(cc1)C2=NC(N=C3SCCN32)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K21 compound treatment 0.006 -0.0056255 -0.0293 -0.106 -0.12627 -0.7017 0.063 0.04062 0.2297 -0.2894 -0.3917 3026978 ChemDiv3_007281 CCOC(=O)C1CCN(CC1)C(c2c(NC(=O)C)sc3CCCCc23)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K22 compound treatment -0.189 -0.20063 -1.0457 -0.261 -0.28127 -1.5631 0.006 -0.01638 -0.0926 -1.5597 -0.8283 3118900 ChemDiv3_007282 CCCCN1C(=O)NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K23 mock treatment 0.006 -0.0056255 -0.0293 0.142 0.12173 0.6765 0.095 0.07262 0.4107 0.6107 0.7712 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 K24 mock treatment -0.044 -0.055626 -0.2899 0.054 0.03373 0.1874 0.138 0.11562 0.6539 0.3183 0.4305 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L01 compound treatment -0.216 -0.22763 -1.1864 -0.039 -0.05927 -0.3294 0.076 0.05362 0.3032 -0.7001 -0.5521 1446827 ChemDiv3_007283 COc1ccc(cc1)C(N2CCOCC2)c3c(C)[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L02 compound treatment 0.072 0.060374 0.3147 0.063 0.04273 0.2375 -0.044 -0.06638 -0.3754 0.102 0.1875 3026980 ChemDiv3_007284 COc1ccc(/C=N/N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)cc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L03 compound treatment 0.07 0.058374 0.3043 -0.074 -0.09427 -0.5239 -0.082 -0.10438 -0.5903 -0.4676 -0.5528 3119027 ChemDiv3_007285 CC(=O)Nc1cccc(c1)C2=Nc3ccccc3SC(C2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L04 compound treatment 0.042 0.030374 0.1583 0.011 -0.00927 -0.0515 -0.14 -0.16238 -0.9183 -0.4685 -0.502 1408100 ChemDiv3_007286 Clc1ccc(cc1)C(=O)c2ccc(cc2)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L05 compound treatment 0.181 0.16937 0.8828 -0.089 -0.10927 -0.6072 0.264 0.24162 1.3664 0.948 0.546 3027023 ChemDiv3_007287 COC(=O)CC1N(CCNC1=O)C(=O)OC(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L06 compound treatment 0.017 0.0053745 0.028 -0.024 -0.04427 -0.246 -0.565 -0.58738 -3.3217 -2.0437 -0.6135 3119028 ChemDiv3_007288 COc1ccc(cc1)/C(=N/N2C(Nc3ccccc3C2=O)c4ccccc4O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L07 compound treatment -0.127 -0.13863 -0.7225 -0.188 -0.20827 -1.1574 -0.049 -0.07138 -0.4037 -1.3184 -0.9266 3119029 ChemDiv3_007289 COC(=O)c1ccccc1NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L08 compound treatment -0.033 -0.044626 -0.2326 0.072 0.05173 0.2875 -0.036 -0.05838 -0.3301 -0.1589 -0.3206 3027025 ChemDiv3_007290 Cc1cc2nc3s/c(=C/4\C(=O)N(CC(=O)O)c5ccccc45)/c(=O)n3c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L09 compound treatment -0.146 -0.15763 -0.8216 0.006 -0.01427 -0.0793 0.043 0.02062 0.1166 -0.4528 -0.5432 3119030 ChemDiv3_007291 Cc1ccc(NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L10 compound treatment -0.077 -0.088626 -0.4619 -0.053 -0.07327 -0.4072 -0.084 -0.10638 -0.6016 -0.8491 -0.9863 3027027 ChemDiv3_007292 COC(=O)Nc1ccc(cc1)C(=O)NCC2CCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L11 compound treatment -0.023 -0.034626 -0.1805 -0.12 -0.14027 -0.7795 -0.282 -0.30438 -1.7213 -1.5481 -0.8155 3119031 ChemDiv3_007293 CCOC(=O)c1ccc2nc(nc(NCc3ccc(Cl)cc3)c2c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L12 compound treatment -0.016 -0.027626 -0.144 0.037 0.01673 0.093 0.137 0.11462 0.6482 0.3448 0.5142 1631642 ChemDiv3_007294 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L13 compound treatment 0.183 0.17137 0.8932 -0.09 -0.11027 -0.6128 -0.163 -0.18538 -1.0484 -0.4433 -0.2941 3119032 ChemDiv3_007295 Cc1cc(O)cc(=O)n1Cc2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L14 compound treatment -0.019 -0.030626 -0.1596 -0.053 -0.07327 -0.4072 0.361 0.33862 1.915 0.7784 0.3963 1665168 ChemDiv3_007296 COc1ccc(c(OC)c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NC4CCCC(C)C4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L15 compound treatment -0.056 -0.067626 -0.3525 -0.211 -0.23127 -1.2852 0.405 0.38262 2.1638 0.3037 0.1195 3027031 ChemDiv3_007297 C1CCN(CC1)c2ncnc3c4ccccc4oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L16 compound treatment -0.025 -0.036626 -0.1909 -0.037 -0.05727 -0.3183 0.302 0.27962 1.5813 0.619 0.3811 1122672 ChemDiv3_007298 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)N(C)C4=C2C(=O)CC(C)(C)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L17 compound treatment 0.006 -0.0056255 -0.0293 0.078 0.05773 0.3208 -0.184 -0.20638 -1.1671 -0.5055 -0.4175 3027033 ChemDiv3_007299 Clc1ccc2nc(NP3(=O)COc4ccccc4O3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L18 compound treatment 0.137 0.12537 0.6535 -0.452 -0.47227 -2.6245 -0.063 -0.08538 -0.4828 -1.4167 -0.5157 3119033 ChemDiv3_007300 CCOC(=O)c1cnc2cc(ccc2c1N3CC(C)CC(C)C3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L19 compound treatment 0.064 0.052374 0.273 0.037 0.01673 0.093 -0.257 -0.27938 -1.5799 -0.7009 -0.4364 3027035 ChemDiv3_007301 CCC1(CC)C(=O)N(CC(=O)OC)C(=O)N(C)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L20 compound treatment -0.1 -0.11163 -0.5818 0.167 0.14673 0.8154 0.072 0.04962 0.2806 0.2969 0.2854 1630796 ChemDiv3_007302 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L21 compound treatment -0.075 -0.086626 -0.4515 0.071 0.05073 0.2819 0.11 0.08762 0.4955 0.1882 0.2587 3119034 ChemDiv3_007303 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4ccc(C)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L22 compound treatment -0.112 -0.12363 -0.6444 -0.094 -0.11427 -0.635 -0.309 -0.33138 -1.874 -1.8206 -0.8749 1710843 ChemDiv3_007304 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)Nc3ccccc3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L23 mock treatment -0.089 -0.10063 -0.5245 0.044 0.02373 0.1319 0.117 0.09462 0.5351 0.0823 0.1081 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 L24 mock treatment 0.083 0.071374 0.372 0.07 0.04973 0.2764 -0.083 -0.10538 -0.5959 0.0303 0.0401 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M01 compound treatment 0.144 0.13237 0.69 -0.014 -0.03427 -0.1904 0.056 0.03362 0.1901 0.3982 0.5376 1183622 ChemDiv3_007305 O=C(NCc1ccccc1)c2nc3ncccn3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M02 compound treatment -0.09 -0.10163 -0.5297 -0.085 -0.10527 -0.585 -0.021 -0.04338 -0.2453 -0.7852 -0.9501 3119035 ChemDiv3_007306 COc1ccc(CNC(=O)c2c(C)oc3c2cc(OC(=O)C)c4ccccc34)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M03 compound treatment -0.086 -0.097626 -0.5088 0.118 0.09773 0.5431 -0.062 -0.08438 -0.4772 -0.2557 -0.2893 3027121 ChemDiv3_007307 COc1cccc(c1)C2CC(n3ncc(C(=O)O)c3N2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M04 compound treatment -0.027 -0.038626 -0.2013 -0.138 -0.15827 -0.8795 0.21 0.18762 1.061 -0.0114 -0.0082 3119036 ChemDiv3_007308 Cc1ccc2[nH]c(CCCC(=O)O)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M05 compound treatment 0.007 -0.0046255 -0.0241 0.082 0.06173 0.343 0.057 0.03462 0.1958 0.2972 0.751 3027123 ChemDiv3_007309 CCSC1=C(C#N)C(=O)NC(S1)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M06 compound treatment 0.013 0.0013745 0.0072 0.052 0.03173 0.1763 -0.031 -0.05338 -0.3019 -0.0683 -0.1955 3119037 ChemDiv3_007310 O=C(Nc1ccccc1)C2CC(=O)n3ncnc3N2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M07 compound treatment -0.132 -0.14363 -0.7486 -0.146 -0.16627 -0.924 2.718 2.6956 8.4422 3.9084 0.4584 1057220 ChemDiv3_007311 OC(COc1ccccc1)Cn2ccccc2=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M08 compound treatment -0.02 -0.031626 -0.1648 -0.006 -0.02627 -0.146 0.052 0.02962 0.1675 -0.0827 -0.2991 3027125 ChemDiv3_007312 CC(=O)Nc1cccc(c1)c2nn3c(C)nnc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M09 compound treatment -0.134 -0.14563 -0.759 -0.049 -0.06927 -0.3849 -0.13 -0.15238 -0.8617 -1.158 -0.9561 3119038 ChemDiv3_007313 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCc4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M10 compound treatment -0.045 -0.056626 -0.2951 0.046 0.02573 0.143 -0.15 -0.17238 -0.9748 -0.6507 -0.6326 3027127 ChemDiv3_007314 COC(=O)c1c(C)ncc2COC(C)OCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M11 compound treatment 0.174 0.16237 0.8463 0.248 0.22773 1.2655 1.168 1.1456 5.9967 4.6815 0.7567 3119039 ChemDiv3_007315 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c4ccc(Cl)cc4)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M12 compound treatment 0.063 0.051374 0.2678 0.085 0.06473 0.3597 0.096 0.07362 0.4163 0.6027 0.9849 3027129 ChemDiv3_007316 O=C(CSc1ccccn1)N2CCN(C2)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M13 compound treatment -0.018 -0.029626 -0.1544 0.216 0.19573 1.0877 0.23 0.20762 1.1741 1.2167 0.7567 3119040 ChemDiv3_007317 CN(C)CCNC(=O)c1cc2ccccc2oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M14 compound treatment -0.113 -0.12463 -0.6496 -0.043 -0.06327 -0.3516 -0.062 -0.08438 -0.4772 -0.8535 -0.9706 3119041 ChemDiv3_007318 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M15 compound treatment -0.105 -0.11663 -0.6079 0.068 0.04773 0.2652 0.0 -0.02238 -0.1266 -0.2709 -0.4012 3027131 ChemDiv3_007319 COCCn1c(nc(=S)c2COC(C)(C)Cc21)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M16 compound treatment 0.075 0.063374 0.3303 -0.158 -0.17827 -0.9907 0.006 -0.01638 -0.0926 -0.4347 -0.4147 3027133 ChemDiv3_007320 Cn1c(=N)n(CCCOc2ccc(F)cc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M17 compound treatment 0.067 0.055374 0.2886 -0.056 -0.07627 -0.4238 0.395 0.37262 2.1072 1.1385 0.525 3119042 ChemDiv3_007321 Cc1ccn2cc(cc2c1)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M18 compound treatment 0.056 0.044374 0.2313 0.094 0.07373 0.4097 -0.047 -0.06938 -0.3924 0.1436 0.2343 3119043 ChemDiv3_007322 Cc1ccc2C(=O)NC(Nc2c1)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M19 compound treatment 0.047 0.035374 0.1844 1.847 1.8267 7.2453 0.119 0.09662 0.5464 4.605 0.6336 3027207 ChemDiv3_007323 CCOC(=O)c1ccc(Nc2nnc3n(CC=C)c(=O)c4c(C)c(C)sc4n23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M20 compound treatment 0.091 0.079374 0.4137 0.111 0.09073 0.5042 -0.033 -0.05538 -0.3132 0.3491 0.4826 3119044 ChemDiv3_007324 CC1=C(C#N)C(N=C(N1)c2ccncc2)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M21 compound treatment 0.013 0.0013745 0.0072 -0.03 -0.05027 -0.2794 0.065 0.04262 0.241 -0.018 -0.0488 3027209 ChemDiv3_007325 CC1CCN(CC1)C(=O)c2c(C)oc3C(=O)c4ccccc4C(=O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M22 compound treatment 0.092 0.080374 0.4189 0.047 0.02673 0.1485 0.071 0.04862 0.275 0.4864 0.9306 3119045 ChemDiv3_007326 CC1=C(C#N)C(N=C(Cc2ccccc2)N1)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M23 mock treatment -0.125 -0.13663 -0.7121 0.044 0.02373 0.1319 0.014 -0.0083798 -0.0474 -0.3624 -0.4993 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 M24 mock treatment 0.169 0.15737 0.8203 0.013 -0.00727 -0.0404 0.043 0.02062 0.1166 0.5176 0.624 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N01 compound treatment 0.041 0.029374 0.1531 -0.045 -0.06527 -0.3627 -0.112 -0.13438 -0.7599 -0.5598 -0.654 1651520 ChemDiv3_007327 COc1ccc(cc1)C(OC(=O)c2ccccc2)c3nccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N02 compound treatment -0.027 -0.038626 -0.2013 0.171 0.15073 0.8376 0.043 0.02062 0.1166 0.4347 0.5 1505116 ChemDiv3_007328 Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N03 compound treatment -0.047 -0.058626 -0.3056 0.014 -0.00627 -0.0348 0.187 0.16462 0.931 0.341 0.3478 3119046 ChemDiv3_007329 CC(=O)N1CN(Cc2c3CCCCc3sc12)C4CCS(=O)(=O)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N04 compound treatment 0.096 0.084374 0.4398 0.135 0.11473 0.6376 -0.19 -0.21238 -1.201 -0.0714 -0.05 1135097 ChemDiv3_007330 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2ccc(C)c(C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N05 compound treatment -0.044 -0.055626 -0.2899 0.145 0.12473 0.6931 0.12 0.09762 0.5521 0.5515 0.5915 3119047 ChemDiv3_007331 Oc1ccc(NC(=O)CN2CC(=O)Oc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N06 compound treatment -0.147 -0.15863 -0.8268 -0.122 -0.14227 -0.7906 0.053 0.03062 0.1732 -0.8338 -0.7207 3027214 ChemDiv3_007332 CCOC(=O)C1=C(NC(=S)NC1CC)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N07 compound treatment 0.852 0.84037 4.3802 0.395 0.37473 2.0824 0.087 0.06462 0.3654 3.9422 0.8105 3119048 ChemDiv3_007333 CC(C)(C)NC(=O)c1ccc(cc1)n2nc(c3CCc4occc4-c32)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N08 compound treatment -0.049 -0.060626 -0.316 0.055 0.03473 0.193 0.169 0.14662 0.8292 0.4077 0.449 3119179 ChemDiv3_007334 CCc1nnc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N09 compound treatment 0.127 0.11537 0.6014 -0.011 -0.03127 -0.1738 0.176 0.15362 0.8688 0.7484 0.699 3027218 ChemDiv3_007335 OC(=O)c1nn(c-2c1CCc3occc32)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N10 compound treatment -0.047 -0.058626 -0.3056 -0.066 -0.08627 -0.4794 -0.134 -0.15638 -0.8844 -0.9638 -0.9167 3119180 ChemDiv3_007336 COc1ccc(NC(=C2C(=O)CC(C)(C)CC2=O)CCCN3C(=O)c4ccccc4C3=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N11 compound treatment -0.156 -0.16763 -0.8737 -0.084 -0.10427 -0.5794 -0.152 -0.17438 -0.9861 -1.4083 -0.9785 3027294 ChemDiv3_007337 CCOC(=O)c1ccc2nc(nc(NCCc3ccc(OC)cc3)c2c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N12 compound treatment -0.078 -0.089626 -0.4671 0.066 0.04573 0.2541 -0.027 -0.04938 -0.2793 -0.2842 -0.4732 1740813 ChemDiv3_007338 COc1ccc(cc1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCN(CC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N13 compound treatment -0.167 -0.17863 -0.931 -0.091 -0.11127 -0.6183 -0.117 -0.13938 -0.7882 -1.3496 -0.9868 3027297 ChemDiv3_007339 COc1ccc(Cn2c(C)cc(O)cc2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N14 compound treatment -0.061 -0.072626 -0.3785 0.092 0.07173 0.3986 -0.029 -0.05138 -0.2906 -0.1562 -0.2512 1296230 ChemDiv3_007340 Cc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N15 compound treatment -0.087 -0.098626 -0.5141 0.126 0.10573 0.5876 0.245 0.22262 1.259 0.7693 0.5193 3027299 ChemDiv3_007341 OCn1c2CCCCc2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N16 compound treatment -0.072 -0.083626 -0.4359 0.0 -0.02027 -0.1126 0.119 0.09662 0.5464 -0.0012 -0.0017 3119181 ChemDiv3_007342 Cc1ccc(cc1C)N2C3=C(C(C4=C2CC(C)(C)CC4=O)c5cccs5)C(=O)CC(C)(C)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N17 compound treatment -0.037 -0.048626 -0.2534 -0.189 -0.20927 -1.1629 0.038 0.01562 0.0883 -0.7668 -0.6424 3027303 ChemDiv3_007343 Brc1ccc(cc1)C(=O)C(C(=O)N2CCCCC2)n3ccccc3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N18 compound treatment -0.107 -0.11863 -0.6183 -0.045 -0.06527 -0.3627 0.229 0.20662 1.1685 0.1082 0.0789 3119182 ChemDiv3_007344 CCOC(=O)c1cnc2c(OC)cccc2c1NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N19 compound treatment 0.0 -0.011626 -0.0606 -0.013 -0.03327 -0.1849 0.0 -0.02238 -0.1266 -0.2148 -0.9254 3027305 ChemDiv3_007345 CCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N20 compound treatment 0.048 0.036374 0.1896 0.037 0.01673 0.093 0.076 0.05362 0.3032 0.3382 0.9153 1741518 ChemDiv3_007346 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC(C)C4)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N21 compound treatment 0.169 0.15737 0.8203 -0.117 -0.13727 -0.7628 -0.081 -0.10338 -0.5846 -0.3044 -0.2409 3027307 ChemDiv3_007347 COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N22 compound treatment -0.033 -0.044626 -0.2326 0.089 0.06873 0.3819 0.147 0.12462 0.7048 0.4931 0.5908 1286138 ChemDiv3_007348 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N23 mock treatment 0.042 0.030374 0.1583 0.012 -0.00827 -0.046 0.215 0.19262 1.0893 0.6938 0.6297 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 N24 mock treatment -0.03 -0.041626 -0.217 -0.118 -0.13827 -0.7684 0.123 0.10062 0.569 -0.2404 -0.2452 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O01 compound treatment -0.183 -0.19463 -1.0144 0.259 0.23873 1.3267 -0.117 -0.13938 -0.7882 -0.2748 -0.1488 1788832 ChemDiv3_007349 O=C(N(Cc1ccccc1)Cc2ccccc2)c3nc4ncccn4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O02 compound treatment -0.025 -0.036626 -0.1909 0.137 0.11673 0.6487 0.096 0.07362 0.4163 0.5047 0.6355 3119183 ChemDiv3_007350 COc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccc4cccnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O03 compound treatment 0.156 0.14437 0.7525 -0.042 -0.06227 -0.346 -0.127 -0.14938 -0.8448 -0.2531 -0.2139 3027446 ChemDiv3_007351 COc1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O04 compound treatment 0.059 0.047374 0.2469 -0.07 -0.09027 -0.5016 0.303 0.28062 1.587 0.7692 0.4571 3119184 ChemDiv3_007352 OC(=O)c1ccc2[nH]c(CCc3nc4cc(ccc4[nH]3)C(=O)O)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O05 compound treatment 0.183 0.17137 0.8932 -0.047 -0.06727 -0.3738 0.086 0.06362 0.3598 0.5076 0.4914 3027447 ChemDiv3_007353 CCSC1=C(C#N)C(=O)NCS1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O06 compound treatment 0.062 0.050374 0.2626 0.156 0.13573 0.7543 0.155 0.13262 0.75 1.0201 0.9311 3119185 ChemDiv3_007354 Clc1ccccc1C2N=C(Nc3nc4ccccc4s3)NC5=C2C(=O)CCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O07 compound treatment -0.163 -0.17463 -0.9102 0.14 0.11973 0.6654 0.04 0.01762 0.0996 -0.0838 -0.0741 3027478 ChemDiv3_007355 COc1ccc(cc1)C2=Cc3ccccc3C(C)(C)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O08 compound treatment -0.116 -0.12763 -0.6652 0.026 0.00573 0.0318 0.075 0.05262 0.2976 -0.1939 -0.2658 3119186 ChemDiv3_007356 CC1(C)CC(=O)C2=C(C1)NCN(Cc3ccc4OCOc4c3)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O09 compound treatment -0.132 -0.14363 -0.7486 -0.115 -0.13527 -0.7517 0.038 0.01562 0.0883 -0.8152 -0.7658 3119187 ChemDiv3_007357 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)Nc4ccccc4C(F)(F)F)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O10 compound treatment 0.118 0.10637 0.5544 0.031 0.01073 0.0596 -0.026 -0.04838 -0.2736 0.1966 0.3165 3027482 ChemDiv3_007358 CCCC[N+]1(C)C2CCC1CC(O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O11 compound treatment -0.048 -0.059626 -0.3108 -0.079 -0.09927 -0.5517 -0.071 -0.09338 -0.5281 -0.8028 -0.9737 3027483 ChemDiv3_007359 OCCNS(=O)(=O)c1cccc2cccnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O12 compound treatment -0.005 -0.016626 -0.0867 -0.081 -0.10127 -0.5628 -0.074 -0.09638 -0.545 -0.6896 -0.8749 3119188 ChemDiv3_007360 Cc1ccc2oc(c(CN3CCOCC3)c(=O)c2c1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O13 compound treatment -0.051 -0.062626 -0.3264 -0.041 -0.06127 -0.3405 -0.054 -0.07638 -0.4319 -0.6344 -0.9919 3027487 ChemDiv3_007361 CCCN1CC2CCCC3(C1)C(=O)NC4(CCCCC4)N=C23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O14 compound treatment 0.064 0.052374 0.273 -0.041 -0.06127 -0.3405 -0.076 -0.09838 -0.5564 -0.3602 -0.5094 3119189 ChemDiv3_007362 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O15 compound treatment -0.097 -0.10863 -0.5662 0.11 0.08973 0.4986 0.0 -0.02238 -0.1266 -0.1121 -0.1465 3119190 ChemDiv3_007363 Sc1ncnc2c1sc3nc(N4CCOCC4)c5CCCCc5c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O16 compound treatment 0.291 0.27937 1.4562 0.399 0.37873 2.1047 0.12 0.09762 0.5521 2.3746 0.907 3027489 ChemDiv3_007364 CCn1c(=N)n(CCCOc2ccc(Br)cc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O17 compound treatment 0.03 0.018374 0.0958 -0.006 -0.02627 -0.146 0.063 0.04062 0.2297 0.1036 0.3592 3119191 ChemDiv3_007365 COc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O18 compound treatment 0.071 0.059374 0.3095 0.039 0.01873 0.1041 0.032 0.0096202 0.0544 0.2702 0.8162 3027491 ChemDiv3_007366 CN(C)C1=NC(N=C(C)O1)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O19 compound treatment -0.161 -0.17263 -0.8998 0.081 0.06073 0.3375 0.094 0.07162 0.405 -0.0908 -0.0871 3119192 ChemDiv3_007367 CN(CCO)C(=O)c1ccc-2c(c1)C(=O)c3ccccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O20 compound treatment 0.063 0.051374 0.2678 -0.051 -0.07127 -0.3961 0.521 0.49862 2.8198 1.5539 0.5433 3027493 ChemDiv3_007368 FC(F)(F)C1(C2CC(C=C2)N1C(=O)c3ccncc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O21 compound treatment -0.158 -0.16963 -0.8841 -0.056 -0.07627 -0.4238 0.093 0.07062 0.3994 -0.5246 -0.4955 3119193 ChemDiv3_007369 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)N4CCc5ccccc5C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O22 compound treatment -0.164 -0.17563 -0.9154 0.025 0.00473 0.0263 -0.039 -0.06138 -0.3471 -0.7137 -0.7288 1582951 ChemDiv3_007370 CCN1CCN(CC1)C(c2cccnc2)c3ccc4cccnc4c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O23 mock treatment 0.047 0.035374 0.1844 -0.006 -0.02627 -0.146 -0.025 -0.04738 -0.2679 -0.1325 -0.3717 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 O24 mock treatment -0.021 -0.032626 -0.1701 0.195 0.17473 0.971 -0.006 -0.02838 -0.1605 0.3698 0.3702 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P01 compound treatment 0.014 0.0023745 0.0124 -0.199 -0.21927 -1.2185 0.107 0.08462 0.4785 -0.4201 -0.3209 1619302 ChemDiv3_007371 Cc1[nH]c2ccccc2c1C(Nc3cc(C)ccn3)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P02 compound treatment 0.19 0.17837 0.9297 0.044 0.02373 0.1319 -0.315 -0.33738 -1.9079 -0.4886 -0.2298 3119194 ChemDiv3_007372 Cc1ccc2NC(C3CC=CC3c2c1)c4ccc(/N=C/c5ccccc5)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P03 compound treatment 0.082 0.070374 0.3668 0.377 0.35673 1.9824 0.138 0.11562 0.6539 1.7338 0.8181 3027529 ChemDiv3_007373 CC(=O)N1CN(CCCn2ccnc2)Cc3c4CCCCc4sc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P04 compound treatment 0.033 0.021374 0.1114 0.209 0.18873 1.0488 0.049 0.02662 0.1505 0.7568 0.7103 3027531 ChemDiv3_007374 O=S(=O)(Nc1ccccc1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P05 compound treatment -0.072 -0.083626 -0.4359 -0.157 -0.17727 -0.9851 -0.053 -0.07538 -0.4263 -1.0665 -0.9206 3119195 ChemDiv3_007375 Fc1ccc(cc1)N2CCN(CC2)C(=O)CN3CC(=O)Oc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P06 compound treatment 0.012 3.7448E-4 0.002 -0.205 -0.22527 -1.2519 -0.043 -0.06538 -0.3697 -0.9351 -0.7164 1922912 ChemDiv3_007376 OC(CC(=O)/C=C/c1ccccc1)(c2ccccc2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P07 compound treatment 0.064 0.052374 0.273 -0.083 -0.10327 -0.5739 0.118 0.09562 0.5408 0.1385 0.166 3027533 ChemDiv3_007377 COC(=O)c1oc2CC(C)(C)c3nc4ccccc4nc3-c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P08 compound treatment -0.028 -0.039626 -0.2065 0.054 0.03373 0.1874 0.161 0.13862 0.7839 0.4416 0.5307 1600357 ChemDiv3_007378 CCc1ccc(cc1)N2NC(=O)C(=C(C)C)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P09 compound treatment -0.132 -0.14363 -0.7486 0.0 -0.02027 -0.1126 0.006 -0.01638 -0.0926 -0.5507 -0.7221 3119196 ChemDiv3_007379 Cc1ccc(Sc2sc(=O)n(C)c2S(=O)(=O)c3ccc(C)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P10 compound treatment 0.011 -6.2552E-4 -0.0033 -0.084 -0.10427 -0.5794 0.098 0.07562 0.4276 -0.0895 -0.1243 1389317 ChemDiv3_007380 S=C(NCCc1ccccc1)N2CCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P11 compound treatment 0.149 0.13737 0.716 0.235 0.21473 1.1933 0.119 0.09662 0.5464 1.4178 0.9483 3119197 ChemDiv3_007381 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1Cc4ccccn4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P12 compound treatment 0.045 0.033374 0.174 0.065 0.04473 0.2486 0.011 -0.01138 -0.0644 0.2068 0.6668 1520017 ChemDiv3_007382 O=C(NCC1CCCO1)c2ccc3c(=O)n(c4ccccc4)c(=S)[nH]c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P13 compound treatment -0.097 -0.10863 -0.5662 -0.037 -0.05727 -0.3183 -0.006 -0.02838 -0.1605 -0.6033 -0.9017 3027536 ChemDiv3_007383 COc1ccc(CCn2c(C)cc(O)cc2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P14 compound treatment -0.306 -0.31763 -1.6555 -0.22 -0.24027 -1.3352 -0.146 -0.16838 -0.9522 -2.2765 -0.9769 1672880 ChemDiv3_007384 COc1ccc(CCNC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P15 compound treatment -0.052 -0.063626 -0.3316 -0.012 -0.03227 -0.1793 0.325 0.30262 1.7114 0.6931 0.3955 3027538 ChemDiv3_007385 O=C1CCC(=O)N1CCOP2(=O)COc3ccccc3OC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P16 compound treatment 0.039 0.027374 0.1427 -0.081 -0.10127 -0.5628 -0.152 -0.17438 -0.9861 -0.8119 -0.7095 3119321 ChemDiv3_007386 CCN(CC)CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4cccc(F)c4)C(=O)CC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P17 compound treatment 0.013 0.0013745 0.0072 0.05 0.02973 0.1652 -0.208 -0.23038 -1.3028 -0.6527 -0.497 3027592 ChemDiv3_007387 Oc1ccccc1CNCc2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P18 compound treatment -0.139 -0.15063 -0.7851 -0.161 -0.18127 -1.0073 0.092 0.06962 0.3937 -0.8076 -0.6042 3119322 ChemDiv3_007388 CCOC(=O)c1cnc2c(OC)cccc2c1N3CCC4(CC3)OCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P19 compound treatment -0.098 -0.10963 -0.5714 0.032 0.01173 0.0652 0.019 -0.0033798 -0.0191 -0.3033 -0.5271 1582507 ChemDiv3_007389 CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P20 compound treatment 0.007 -0.0046255 -0.0241 0.238 0.21773 1.21 0.051 0.02862 0.1619 0.7781 0.6373 3119323 ChemDiv3_007390 COC(=O)c1ccc2n(C)/c(=N\C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P21 compound treatment 0.037 0.025374 0.1323 0.056 0.03573 0.1986 -0.065 -0.08738 -0.4941 -0.0943 -0.1719 1257313 ChemDiv3_007391 O=C1N(CCSC(=S)N2CCSCC2)Cc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P22 compound treatment -0.104 -0.11563 -0.6027 -0.153 -0.17327 -0.9629 0.03 0.0076202 0.0431 -0.879 -0.7732 1190401 ChemDiv3_007392 Cc1cccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c4ccccc24)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P23 mock treatment -0.018 -0.029626 -0.1544 0.131 0.11073 0.6153 0.077 0.05462 0.3089 0.4445 0.6299 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2021 P24 mock treatment 0.079 0.067374 0.3512 -0.061 -0.08127 -0.4516 0.204 0.18162 1.0271 0.535 0.4551 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A01 compound treatment 0.403 0.39137 2.0399 -0.175 -0.19527 -1.0851 -0.101 -0.12338 -0.6977 0.1484 0.0615 3029892 ChemDiv3_009505 CC1CCN(CC1)C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A02 compound treatment -0.014 -0.025626 -0.1336 0.065 0.04473 0.2486 -0.084 -0.10638 -0.6016 -0.2809 -0.4228 3029893 ChemDiv3_009506 Cc1cc(C)c2sc(nc2c1)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A03 compound treatment -0.007 -0.018626 -0.0971 -0.137 -0.15727 -0.874 -0.127 -0.14938 -0.8448 -1.0484 -0.8598 3121157 ChemDiv3_009507 COc1ccc(OC)c(c1)C2N(Cc3ccc(C)cc3)CCCN2Cc4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A04 compound treatment 0.081 0.069374 0.3616 -0.038 -0.05827 -0.3238 0.146 0.12362 0.6991 0.4254 0.4999 3029896 ChemDiv3_009508 N=C/1N2C=CSC2=NC(=O)\C1=C/c3ccc(SC4CCCCC4)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A05 compound treatment 0.182 0.17037 0.888 0.253 0.23273 1.2933 0.106 0.08362 0.4729 1.5324 0.9352 3121158 ChemDiv3_009509 CC1CN(CC(C)O1)C(=O)CCn2c(=O)oc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A06 compound treatment 0.114 0.10237 0.5336 0.168 0.14773 0.821 0.309 0.28662 1.6209 1.7179 0.9072 3121159 ChemDiv3_009510 O=C(CSc1c2CCCc2nc3ccccc13)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A07 compound treatment 0.197 0.18537 0.9662 0.0 -0.02027 -0.1126 0.065 0.04262 0.241 0.632 0.6306 3029899 ChemDiv3_009511 CC(C)NC(=O)CCn1c(=O)sc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A08 compound treatment 0.148 0.13637 0.7108 0.145 0.12473 0.6931 0.013 -0.0093798 -0.053 0.78 0.7845 3029968 ChemDiv3_009512 COc1ccc(cc1)n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A09 compound treatment -0.025 -0.036626 -0.1909 -0.047 -0.06727 -0.3738 -0.036 -0.05838 -0.3301 -0.5167 -0.9675 3029970 ChemDiv3_009513 CC(C1Sc2ccccc2N(Cc3ccc(F)cc3)C1=O)C(=O)NC4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A10 compound treatment 0.046 0.034374 0.1792 0.053 0.03273 0.1819 0.032 0.0096202 0.0544 0.2399 0.9189 3029973 ChemDiv3_009514 CCc1ccc(cc1)n2c(nc3ccccc3c2=O)N(C)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A11 compound treatment 0.05 0.038374 0.2 -0.109 -0.12927 -0.7184 -0.04 -0.06238 -0.3528 -0.5029 -0.6097 3029974 ChemDiv3_009515 Cn1c(cc2c(=O)[nH]c3ccccc3c12)C(=O)N4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A12 compound treatment 0.034 0.022374 0.1166 -0.02 -0.04027 -0.2238 0.029 0.0066202 0.0374 -0.0403 -0.1578 3029975 ChemDiv3_009516 CC1CCC(CC1)NS(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A13 compound treatment -0.065 -0.076626 -0.3994 0.057 0.03673 0.2041 0.166 0.14362 0.8122 0.3562 0.3839 3121160 ChemDiv3_009517 CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A14 compound treatment 0.025 0.013374 0.0697 0.079 0.05873 0.3264 -0.045 -0.06738 -0.381 0.0087 0.0171 3029978 ChemDiv3_009518 CCCCN(C)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A15 compound treatment -0.013 -0.024626 -0.1284 0.08 0.05973 0.3319 0.116 0.09362 0.5294 0.4232 0.6634 3121161 ChemDiv3_009519 O=C(CSc1c2CCCCc2nc3ccccc13)NC4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A16 compound treatment 0.059 0.047374 0.2469 0.084 0.06373 0.3542 0.073 0.05062 0.2863 0.5123 0.989 3029981 ChemDiv3_009520 COc1ccc(cc1)N(C)S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A17 compound treatment 0.032 0.020374 0.1062 -0.095 -0.11527 -0.6406 0.086 0.06362 0.3598 -0.1008 -0.1358 3121162 ChemDiv3_009521 CC1CCCN(C1)c2c3CCCCc3nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A18 compound treatment 0.043 0.031374 0.1635 0.172 0.15173 0.8432 0.123 0.10062 0.569 0.9098 0.883 3029984 ChemDiv3_009522 CN(C1CCCCC1)S(=O)(=O)c2ccc3n(C)cc(C(=O)NCCN4CCCC4)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A19 compound treatment -0.033 -0.044626 -0.2326 0.007 -0.01327 -0.0737 0.07 0.04762 0.2693 -0.0214 -0.0588 3121163 ChemDiv3_009523 CC1(C)CC(=O)c2sc(Nc3nc4c(F)cccc4s3)nc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A20 compound treatment 0.0 -0.011626 -0.0606 -0.027 -0.04727 -0.2627 0.018 -0.0043798 -0.0248 -0.2009 -0.7423 3121164 ChemDiv3_009524 CCn1cc(C(=O)N2CCCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A21 compound treatment -0.019 -0.030626 -0.1596 -0.012 -0.03227 -0.1793 -0.16 -0.18238 -1.0314 -0.7912 -0.7471 3029987 ChemDiv3_009525 Fc1ccc(Nc2nc3ccc(F)cc3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A22 compound treatment 0.053 0.041374 0.2157 0.244 0.22373 1.2433 0.088 0.06562 0.3711 1.0566 0.8033 3121165 ChemDiv3_009526 CCN(CC)S(=O)(=O)c1ccc2n(CC=C)cc(C(=O)NC3CCCC3)c(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A23 mock treatment -0.058 -0.069626 -0.3629 0.131 0.11073 0.6153 0.084 0.06162 0.3485 0.3469 0.4365 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 A24 mock treatment -0.04 -0.051626 -0.2691 -0.007 -0.02727 -0.1515 0.133 0.11062 0.6256 0.1183 0.1696 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B01 compound treatment -0.007 -0.018626 -0.0971 -0.041 -0.06127 -0.3405 -0.127 -0.14938 -0.8448 -0.7404 -0.8083 3029990 ChemDiv3_009527 Cc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)N3CCC4(CC3)OCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B02 compound treatment -0.014 -0.025626 -0.1336 -0.07 -0.09027 -0.5016 0.072 0.04962 0.2806 -0.2047 -0.3469 3029992 ChemDiv3_009528 CC(C)NC(=O)c1cc(C)nn1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B03 compound treatment 0.216 0.20437 1.0652 0.026 0.00573 0.0318 -0.076 -0.09838 -0.5564 0.3122 0.2597 3030151 ChemDiv3_009529 CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B04 compound treatment 0.156 0.14437 0.7525 0.19 0.16973 0.9432 0.174 0.15162 0.8574 1.4741 0.9958 3030154 ChemDiv3_009530 CC1=C(C(=O)Nc2ccccc2Br)C3(CCCCC3)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B05 compound treatment -0.006 -0.017626 -0.0919 -0.042 -0.06227 -0.346 -0.058 -0.08038 -0.4546 -0.5153 -0.8905 3030157 ChemDiv3_009531 Clc1cccc(Cl)c1S(=O)(=O)Cc2ccc(o2)C(=O)N3CCN(Cc4ccccc4)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B06 compound treatment 0.006 -0.0056255 -0.0293 0.017 -0.00327 -0.0182 -0.117 -0.13938 -0.7882 -0.4825 -0.6116 3030158 ChemDiv3_009532 CCCN(CCC)C(=O)C1=C(C)C(=O)OC21CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B07 compound treatment -0.108 -0.11963 -0.6235 0.105 0.08473 0.4709 -0.042 -0.06438 -0.3641 -0.2983 -0.3461 3030161 ChemDiv3_009533 Cc1oc(nc1CN2CCC(CC2)C(=O)NCc3ccc(Cl)cc3)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B08 compound treatment 0.097 0.085374 0.445 0.075 0.05473 0.3041 -0.142 -0.16438 -0.9296 -0.1042 -0.097 3030163 ChemDiv3_009534 COc1ccc(CCNc2cc(C)nc3c(c(C)nn23)c4ccc(OC)c(OC)c4)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B09 compound treatment -0.034 -0.045626 -0.2378 -0.05 -0.07027 -0.3905 0.0 -0.02238 -0.1266 -0.4358 -0.9187 3121166 ChemDiv3_009535 Cc1oc(nc1CSCC(=O)NC2CCCC2)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B10 compound treatment -0.053 -0.064626 -0.3368 0.185 0.16473 0.9154 -0.062 -0.08438 -0.4772 0.0585 0.0539 3030165 ChemDiv3_009536 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N4CCCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B11 compound treatment 0.056 0.044374 0.2313 0.071 0.05073 0.2819 -0.013 -0.03538 -0.2001 0.1808 0.4346 3121167 ChemDiv3_009537 Cc1oc(nc1CSCC(=O)NC2CC2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B12 compound treatment 0.12 0.10837 0.5649 0.0 -0.02027 -0.1126 -0.063 -0.08538 -0.4828 -0.0177 -0.0235 3030168 ChemDiv3_009538 Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B13 compound treatment -0.007 -0.018626 -0.0971 0.007 -0.01327 -0.0737 -0.033 -0.05538 -0.3132 -0.2794 -0.8315 3121168 ChemDiv3_009539 Cc1oc(nc1CS(=O)CC(=O)NCc2ccccn2)c3ccccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B14 compound treatment 0.087 0.075374 0.3929 -0.031 -0.05127 -0.2849 0.105 0.08262 0.4672 0.3321 0.4929 3121169 ChemDiv3_009540 Cc1cc2cc(CNC(=O)Cc3cccc(C)c3)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B15 compound treatment 0.037 0.025374 0.1323 -0.049 -0.06927 -0.3849 0.061 0.03862 0.2184 -0.0198 -0.0428 3030241 ChemDiv3_009541 COc1ccc(cc1OC)c2nc(CS(=O)CC(=O)NC(C)c3ccccc3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B16 compound treatment 0.043 0.031374 0.1635 0.154 0.13373 0.7432 -0.078 -0.10038 -0.5677 0.1957 0.2062 3030245 ChemDiv3_009542 Cc1cc2cc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B17 compound treatment -0.154 -0.16563 -0.8633 -0.024 -0.04427 -0.246 0.081 0.05862 0.3315 -0.4491 -0.4693 3030246 ChemDiv3_009543 Cc1oc(nc1CS(=O)(=O)CC(=O)NCc2ccc3OCOc3c2)c4ccccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B18 compound treatment -0.127 -0.13863 -0.7225 -0.206 -0.22627 -1.2574 -0.073 -0.09538 -0.5394 -1.4546 -0.9401 3030247 ChemDiv3_009544 Fc1ccc(cc1F)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B19 compound treatment -0.02 -0.031626 -0.1648 -0.051 -0.07127 -0.3961 -0.039 -0.06138 -0.3471 -0.5242 -0.95 3030251 ChemDiv3_009545 CCN1C(=O)c2ccccc2S(=O)c3ccc(cc13)C(=O)NCC(OC)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B20 compound treatment 0.146 0.13437 0.7004 -0.106 -0.12627 -0.7017 0.013 -0.0093798 -0.053 -0.0314 -0.0316 3030252 ChemDiv3_009546 O=C1N(Cc2ccc3[nH]c4CCCCc4c3c2)C(=O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B21 compound treatment 0.086 0.074374 0.3877 0.039 0.01873 0.1041 -0.155 -0.17738 -1.0031 -0.2952 -0.2733 3121348 ChemDiv3_009547 CN(C)CCNC(=O)c1ccc2c(c1)N(Cc3ccc(F)cc3)C(=O)c4ccccc4S2(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B22 compound treatment 0.007 -0.0046255 -0.0241 -0.02 -0.04027 -0.2238 -0.06 -0.08238 -0.4659 -0.4121 -0.7965 3030257 ChemDiv3_009548 Cc1cc2cc(CNC(=S)Nc3ccccc3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B23 mock treatment -0.031 -0.042626 -0.2222 0.225 0.20473 1.1377 0.101 0.07862 0.4446 0.7853 0.6325 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 B24 mock treatment -0.119 -0.13063 -0.6809 -0.11 -0.13027 -0.7239 -0.077 -0.09938 -0.562 -1.1355 -0.9946 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C01 compound treatment 0.078 0.066374 0.346 0.007 -0.01327 -0.0737 -0.058 -0.08038 -0.4546 -0.1053 -0.1828 3121349 ChemDiv3_009549 O=C(C(Cc1ccccc1)NS(=O)(=O)c2cccc3nsnc23)N4CCC5(CC4)OCCO5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C02 compound treatment -0.1 -0.11163 -0.5818 0.08 0.05973 0.3319 0.006 -0.01638 -0.0926 -0.1978 -0.2924 3030261 ChemDiv3_009550 COc1ccc(C)c2sc(nc12)N3CCN(CC3)c4nc5c(OC)ccc(C)c5s4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C03 compound treatment -0.031 -0.042626 -0.2222 -0.036 -0.05627 -0.3127 -0.047 -0.06938 -0.3924 -0.5353 -0.9756 3121350 ChemDiv3_009551 Cc1ccc(cc1)n2c(=O)n(Cc3ccccc3F)c4cc(ccc4c2=O)C(=O)NCc5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C04 compound treatment 0.159 0.14737 0.7682 0.121 0.10073 0.5598 0.247 0.22462 1.2703 1.5001 0.9455 3030646 ChemDiv3_009552 Cn1nc(c2ccc(Cl)cc2)c3cc(sc13)C(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C05 compound treatment -0.099 -0.11063 -0.5766 0.074 0.05373 0.2986 0.119 0.09662 0.5464 0.155 0.1826 3121351 ChemDiv3_009553 CC(C)NC(=O)CCn1c(=O)oc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C06 compound treatment 0.031 0.019374 0.101 -0.11 -0.13027 -0.7239 -0.071 -0.09338 -0.5281 -0.6645 -0.737 3121352 ChemDiv3_009554 Clc1ccc2nc3CCCCc3c(SCC(=O)NCCN4CCOCC4)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C07 compound treatment -0.132 -0.14363 -0.7486 0.018 -0.00227 -0.0126 0.423 0.40062 2.2656 0.8685 0.364 3030650 ChemDiv3_009555 O=C(CCn1c(=O)sc2ccccc12)NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C08 compound treatment 0.021 0.0093745 0.0489 0.701 0.68073 3.7829 0.097 0.07462 0.422 2.4559 0.6452 3121353 ChemDiv3_009556 CC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C09 compound treatment -0.054 -0.065626 -0.3421 -0.142 -0.16227 -0.9018 -0.128 -0.15038 -0.8504 -1.2091 -0.9403 3121354 ChemDiv3_009557 CC(C1Sc2ccccc2N(Cc3cc(C)ccc3C)C1=O)C(=O)NCCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C10 compound treatment 0.054 0.042374 0.2209 -0.081 -0.10127 -0.5628 -0.047 -0.06938 -0.3924 -0.4239 -0.5882 3030655 ChemDiv3_009558 CCc1ccc(cc1)n2c(nc3ccccc3c2=O)N4CCC(C)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C11 compound treatment -0.011 -0.022626 -0.1179 -0.195 -0.21527 -1.1963 -0.217 -0.23938 -1.3537 -1.5403 -0.8508 3030656 ChemDiv3_009559 Cn1c(cc2c(=O)[nH]c3ccccc3c12)C(=O)N4CCN(CC4)c5ccccc5F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C12 compound treatment -0.141 -0.15263 -0.7955 0.048 0.02773 0.1541 0.047 0.02462 0.1392 -0.2899 -0.3526 3121355 ChemDiv3_009560 CC1Cc2ccccc2N1S(=O)(=O)c3ccc4n(C)c(=O)c(=O)n(C)c4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C13 compound treatment -0.282 -0.29363 -1.5304 0.105 0.08473 0.4709 -0.011 -0.03338 -0.1888 -0.7207 -0.447 3121356 ChemDiv3_009561 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCc4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C14 compound treatment -0.14 -0.15163 -0.7903 0.252 0.23173 1.2878 0.019 -0.0033798 -0.0191 0.2762 0.1828 3030662 ChemDiv3_009562 CC1CCC(CC1)NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C15 compound treatment -0.152 -0.16363 -0.8529 -0.137 -0.15727 -0.874 0.09 0.06762 0.3824 -0.7762 -0.6066 3121357 ChemDiv3_009563 CCC(C)NC(=O)CSc1c2CCCCc2nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C16 compound treatment 0.055 0.043374 0.2261 0.264 0.24373 1.3544 0.212 0.18962 1.0723 1.5316 0.8791 3121358 ChemDiv3_009564 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCCN3CCC(Cc4ccccc4)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C17 compound treatment -0.018 -0.029626 -0.1544 -0.186 -0.20627 -1.1463 0.093 0.07062 0.3994 -0.5204 -0.4253 3030711 ChemDiv3_009565 CCc1ccc(Nc2c3CCCCc3nc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C18 compound treatment -0.131 -0.14263 -0.7434 -0.115 -0.13527 -0.7517 0.115 0.09262 0.5238 -0.5608 -0.4753 3121359 ChemDiv3_009566 CC1CCN(CC1)S(=O)(=O)c2ccc3n(C)cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C19 compound treatment 0.024 0.012374 0.0645 0.22 0.19973 1.1099 0.039 0.01662 0.094 0.7323 0.6563 3030714 ChemDiv3_009567 Fc1cccc2sc(NCc3ccccc3)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C20 compound treatment -0.012 -0.023626 -0.1231 0.293 0.27273 1.5156 0.187 0.16462 0.931 1.3414 0.7524 3121360 ChemDiv3_009568 CCn1cc(C(=O)NCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C21 compound treatment -0.012 -0.023626 -0.1231 -0.063 -0.08327 -0.4627 -0.088 -0.11038 -0.6242 -0.6987 -0.888 3030717 ChemDiv3_009569 Fc1ccc2nc(Nc3nnc(o3)c4ccco4)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C22 compound treatment 0.024 0.012374 0.0645 -0.074 -0.09427 -0.5239 -0.014 -0.03638 -0.2057 -0.384 -0.6778 3121361 ChemDiv3_009570 CCN(CC)S(=O)(=O)c1ccc2n(CC=C)cc(C(=O)NCCN3CCCCCC3)c(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C23 mock treatment -0.08 -0.091626 -0.4776 -0.081 -0.10127 -0.5628 0.019 -0.0033798 -0.0191 -0.6117 -0.8284 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 C24 mock treatment 0.012 3.7448E-4 0.002 -0.055 -0.07527 -0.4183 -0.033 -0.05538 -0.3132 -0.4212 -0.806 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D01 compound treatment -0.057 -0.068626 -0.3577 -0.038 -0.05827 -0.3238 -0.02 -0.04238 -0.2397 -0.5318 -0.9872 3030721 ChemDiv3_009571 CC(C)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D02 compound treatment -0.063 -0.074626 -0.389 0.025 0.00473 0.0263 -0.091 -0.11338 -0.6412 -0.5796 -0.7724 3121362 ChemDiv3_009572 CCCNC(=O)c1cc(C)nn1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D03 compound treatment 0.164 0.15237 0.7942 -0.135 -0.15527 -0.8629 0.1 0.07762 0.439 0.2138 0.1707 3030724 ChemDiv3_009573 Cc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D04 compound treatment -0.032 -0.043626 -0.2274 -0.086 -0.10627 -0.5906 -0.15 -0.17238 -0.9748 -1.0351 -0.8906 3121363 ChemDiv3_009574 CC1=C(C(=O)NCc2ccco2)C3(CCCCC3)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D05 compound treatment -0.155 -0.16663 -0.8685 -0.173 -0.19327 -1.074 -0.133 -0.15538 -0.8787 -1.6288 -0.995 3121364 ChemDiv3_009575 Clc1cccc(Cl)c1S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D06 compound treatment -0.005 -0.016626 -0.0867 0.155 0.13473 0.7487 -0.138 -0.16038 -0.907 -0.1414 -0.1199 3029682 ChemDiv3_009576 CC1=C(C(=O)N2CCCCC2)C3(CCCCC3)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D07 compound treatment -0.109 -0.12063 -0.6287 0.063 0.04273 0.2375 0.885 0.86262 4.8783 2.5906 0.5261 3121365 ChemDiv3_009577 Cc1oc(nc1CN2CCC(CC2)C(=O)NCCCN3CCCC3)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D08 compound treatment -0.045 -0.056626 -0.2951 -0.06 -0.08027 -0.4461 0.201 0.17862 1.0101 0.1553 0.1358 3121366 ChemDiv3_009578 COc1ccc(cc1OC)c2c(C)nn3c(cc(C)nc23)N4CCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D09 compound treatment 0.068 0.056374 0.2938 -0.03 -0.05027 -0.2794 -0.08 -0.10238 -0.579 -0.3259 -0.4611 3029686 ChemDiv3_009579 CSc1ccc(cc1)c2nc(CSCC(=O)N3CCCC3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D10 compound treatment 0.0 -0.011626 -0.0606 0.005 -0.01527 -0.0849 0.168 0.14562 0.8235 0.3915 0.4716 3029687 ChemDiv3_009580 CNC(=O)c1sc2nc(cn2c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D11 compound treatment -0.012 -0.023626 -0.1231 0.113 0.09273 0.5153 0.302 0.27962 1.5813 1.1394 0.6832 3121367 ChemDiv3_009581 Cc1oc(nc1CSCC(=O)N2CCC3(CC2)OCCO3)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D12 compound treatment 0.023 0.011374 0.0593 0.0 -0.02027 -0.1126 -0.188 -0.21038 -1.1897 -0.7177 -0.5998 3121368 ChemDiv3_009582 Cc1cc2cc(CNC(=O)C3(CC4CC5CC(C4)C3)C5)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D13 compound treatment -0.063 -0.074626 -0.389 0.112 0.09173 0.5098 0.049 0.02662 0.1505 0.1567 0.2378 3029691 ChemDiv3_009583 Cc1oc(nc1CS(=O)CC(=O)NC2CCCCCC2)c3cccc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D14 compound treatment -0.081 -0.092626 -0.4828 0.113 0.09273 0.5153 -0.126 -0.14838 -0.8391 -0.4657 -0.4246 3121369 ChemDiv3_009584 Cc1cc2cc(CNC(=O)Cc3cccc4ccccc34)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D15 compound treatment -0.068 -0.079626 -0.415 0.099 0.07873 0.4375 0.038 0.01562 0.0883 0.064 0.105 3121370 ChemDiv3_009585 CN(Cc1ccccc1)C(=O)CS(=O)Cc2nc(oc2C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D16 compound treatment -0.006 -0.017626 -0.0919 -0.018 -0.03827 -0.2127 0.096 0.07362 0.4163 0.0645 0.1355 3029749 ChemDiv3_009586 Cc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D17 compound treatment -0.153 -0.16463 -0.8581 -0.23 -0.25027 -1.3908 0.048 0.02562 0.1449 -1.2147 -0.7404 3121371 ChemDiv3_009587 COC(CNC(=O)c1ccc2S(=O)c3ccccc3C(=O)N(Cc4ccccc4F)c2c1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D18 compound treatment 0.004 -0.0076255 -0.0397 0.013 -0.00727 -0.0404 -0.387 -0.40938 -2.3151 -1.3829 -0.5972 3029751 ChemDiv3_009588 FC(F)(F)c1ccc(cc1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D19 compound treatment -0.006 -0.017626 -0.0919 0.259 0.23873 1.3267 -0.092 -0.11438 -0.6468 0.3395 0.2295 3121372 ChemDiv3_009589 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)N4CCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D20 compound treatment -0.033 -0.044626 -0.2326 -0.054 -0.07427 -0.4127 0.125 0.10262 0.5803 -0.0375 -0.0501 3029753 ChemDiv3_009590 Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D21 compound treatment -0.123 -0.13463 -0.7017 -0.08 -0.10027 -0.5572 0.148 0.12562 0.7104 -0.3167 -0.2769 3121373 ChemDiv3_009591 CN(C)CCNC(=O)c1ccc2c(c1)N(Cc3cc(C)ccc3C)C(=O)c4ccccc4S2(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D22 compound treatment -0.086 -0.097626 -0.5088 0.162 0.14173 0.7876 0.104 0.08162 0.4616 0.4274 0.409 3029756 ChemDiv3_009592 CNC(=S)NCc1ccc2[nH]c3CCCCc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D23 mock treatment 0.07 0.058374 0.3043 0.006 -0.01427 -0.0793 -0.012 -0.03438 -0.1944 0.0176 0.0477 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 D24 mock treatment -0.047 -0.058626 -0.3056 -0.023 -0.04327 -0.2405 -0.071 -0.09338 -0.5281 -0.6201 -0.9456 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E01 compound treatment 0.25 0.23837 1.2425 -0.066 -0.08627 -0.4794 0.098 0.07562 0.4276 0.6874 0.4915 3121547 ChemDiv3_009593 CC1CC(C)CN(C1)C(=O)C(Cc2ccccc2)NS(=O)(=O)c3cccc4nsnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E02 compound treatment -0.105 -0.11663 -0.6079 -0.114 -0.13427 -0.7462 -0.239 -0.26138 -1.4782 -1.6352 -0.927 3029759 ChemDiv3_009594 C1Oc2cc3nc(sc3cc2O1)N4CCc5ccccc5C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E03 compound treatment -0.013 -0.024626 -0.1284 0.049 0.02873 0.1597 -0.032 -0.05438 -0.3075 -0.1595 -0.4316 3121548 ChemDiv3_009595 Cc1cc(N)nn1C(=O)Cn2c(=O)n(CC=C)c(=O)c3ccc(cc23)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E04 compound treatment -0.081 -0.092626 -0.4828 0.043 0.02273 0.1263 0.013 -0.0093798 -0.053 -0.2364 -0.4711 3029762 ChemDiv3_009596 CCCCN(CC)C(=O)c1cc2c(nn(C)c2s1)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E05 compound treatment 0.078 0.066374 0.346 0.089 0.06873 0.3819 -0.086 -0.10838 -0.6129 0.0664 0.0829 3121549 ChemDiv3_009597 CC1CC(CC(C)(C)C1)NC(=O)CCn2c(=O)oc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E06 compound treatment -0.075 -0.086626 -0.4515 0.139 0.11873 0.6598 0.147 0.12462 0.7048 0.5271 0.4946 3029765 ChemDiv3_009598 Clc1ccc2nc3CCCCc3c(SCC(=O)NCc4ccccn4)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E07 compound treatment 0.059 0.047374 0.2469 0.028 0.00773 0.043 0.182 0.15962 0.9027 0.6885 0.735 3029822 ChemDiv3_009599 O=C(CCn1c(=O)sc2ccccc12)NCCCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E08 compound treatment 0.133 0.12137 0.6326 0.044 0.02373 0.1319 -0.037 -0.05938 -0.3358 0.2475 0.3399 3121550 ChemDiv3_009600 Fc1ccc(cc1)n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc4c(F)cccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E09 compound treatment -0.196 -0.20763 -1.0822 0.117 0.09673 0.5375 -0.068 -0.09038 -0.5111 -0.6095 -0.4646 3029825 ChemDiv3_009601 CC(C1Sc2ccccc2N(Cc3cc(C)ccc3C)C1=O)C(=O)NCc4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E10 compound treatment 0.013 0.0013745 0.0072 -0.062 -0.08227 -0.4572 -0.109 -0.13138 -0.743 -0.6888 -0.7895 3121551 ChemDiv3_009602 CC1CN(CCN1c2cccc(C)c2)c3nc4ccccc4c(=O)n3Cc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E11 compound treatment 0.059 0.047374 0.2469 -0.115 -0.13527 -0.7517 -0.09 -0.11238 -0.6355 -0.6584 -0.6487 3121552 ChemDiv3_009603 CCc1ccc(NC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E12 compound treatment 0.078 0.066374 0.346 0.019 -0.00127 -0.0071 -0.085 -0.10738 -0.6073 -0.1549 -0.2217 3029830 ChemDiv3_009604 CN(c1cccc(C)c1)S(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E13 compound treatment 0.109 0.097374 0.5075 0.068 0.04773 0.2652 0.021 -0.0013798 -0.0078 0.4417 0.7712 3121553 ChemDiv3_009605 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCC4(CCCC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E14 compound treatment -0.05 -0.061626 -0.3212 -0.045 -0.06527 -0.3627 0.006 -0.01638 -0.0926 -0.4483 -0.9089 3029832 ChemDiv3_009606 CCN(Cc1ccccc1)S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E15 compound treatment 0.007 -0.0046255 -0.0241 -0.067 -0.08727 -0.485 0.078 0.05562 0.3145 -0.1123 -0.1941 3121554 ChemDiv3_009607 CN(C1CCCCC1)C(=O)CSc2c3CCCCc3nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E16 compound treatment 0.036 0.024374 0.127 0.075 0.05473 0.3041 0.111 0.08862 0.5012 0.5383 0.8974 3029836 ChemDiv3_009608 CN(C)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccccc3)c(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E17 compound treatment -0.09 -0.10163 -0.5297 -0.223 -0.24327 -1.3519 -0.21 -0.23238 -1.3142 -1.8451 -0.9421 3121555 ChemDiv3_009609 CCc1ccc(cc1)C2CC(=O)N3CN(CSC3=C2C#N)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E18 compound treatment -0.069 -0.080626 -0.4202 0.043 0.02273 0.1263 0.106 0.08362 0.4729 0.1033 0.1602 3121556 ChemDiv3_009610 CC(C)CCNC(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N3CCC(C)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E19 compound treatment 0.027 0.015374 0.0801 0.175 0.15473 0.8599 0.194 0.17162 0.9705 1.1031 0.8491 3029840 ChemDiv3_009611 CC(C)c1ccc2nc(Nc3nc4ccc(NC(=O)C)cc4s3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E20 compound treatment 0.082 0.070374 0.3668 0.114 0.09373 0.5209 -0.056 -0.07838 -0.4433 0.2566 0.3306 3121557 ChemDiv3_009612 CCn1cc(C(=O)NCC(OC)OC)c(=O)c2cc(ccc12)S(=O)(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E21 compound treatment 0.013 0.0013745 0.0072 -0.095 -0.11527 -0.6406 -0.064 -0.08638 -0.4885 -0.6477 -0.804 3029900 ChemDiv3_009613 C1Oc2cc3nc(Nc4nccs4)sc3cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E22 compound treatment -0.121 -0.13263 -0.6913 -0.067 -0.08727 -0.485 0.043 0.02062 0.1166 -0.6118 -0.7177 3121558 ChemDiv3_009614 O=C(N1CCN(CC1)c2ccccc2)c3ccc(CS(=O)c4ccccc4)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E23 mock treatment -0.122 -0.13363 -0.6965 0.0 -0.02027 -0.1126 0.073 0.05062 0.2863 -0.3019 -0.3965 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 E24 mock treatment -0.049 -0.060626 -0.316 0.071 0.05073 0.2819 0.0 -0.02238 -0.1266 -0.0927 -0.2098 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F01 compound treatment -0.007 -0.018626 -0.0971 -0.134 -0.15427 -0.8573 0.054 0.03162 0.1788 -0.4478 -0.5082 3121559 ChemDiv3_009615 CC(CCc1ccccc1)NC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F02 compound treatment -0.077 -0.088626 -0.4619 0.081 0.06073 0.3375 -0.069 -0.09138 -0.5168 -0.3702 -0.4802 3029905 ChemDiv3_009616 COC(CNC(=O)c1cc(C)nn1c2ccccc2)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F03 compound treatment 0.094 0.082374 0.4294 0.0 -0.02027 -0.1126 0.153 0.13062 0.7387 0.6093 0.7071 3121560 ChemDiv3_009617 CC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F04 compound treatment 0.149 0.13737 0.716 -0.102 -0.12227 -0.6795 -0.062 -0.08438 -0.4772 -0.2544 -0.232 3029908 ChemDiv3_009618 CC(C)NC(=O)C1=C(C)C(=O)OC21CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F05 compound treatment 0.012 3.7448E-4 0.002 0.038 0.01773 0.0985 0.201 0.17862 1.0101 0.6412 0.6318 3121561 ChemDiv3_009619 COc1ccc(cc1OC)c2nc(CN3CCC(CC3)C(=O)NC(C)C)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F06 compound treatment 0.039 0.027374 0.1427 -0.119 -0.13927 -0.7739 0.171 0.14862 0.8405 0.1208 0.1049 3029911 ChemDiv3_009620 CC1=C(C(=O)N(CC2CCCO2)CC3CCC=CC3)C4(CCCCC4)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F07 compound treatment 0.139 0.12737 0.6639 0.083 0.06273 0.3486 -0.03 -0.05238 -0.2962 0.4135 0.5129 3121562 ChemDiv3_009621 COc1ccc(CCNC(=O)C2CCN(Cc3nc(oc3C)c4ccccc4F)CC2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F08 compound treatment 0.068 0.056374 0.2938 -0.089 -0.10927 -0.6072 -0.101 -0.12338 -0.6977 -0.5838 -0.6015 3121563 ChemDiv3_009622 Cc1nn2c(cc(C)nc2c1c3ccc(Cl)cc3)N4CCC(CC4)C(=O)Nc5cccnc5Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F09 compound treatment 0.007 -0.0046255 -0.0241 0.075 0.05473 0.3041 -0.123 -0.14538 -0.8221 -0.313 -0.3569 3029916 ChemDiv3_009623 CCc1ccc(cc1)c2nc(CSCC(=O)N3CCc4ccccc34)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F10 compound treatment 0.007 -0.0046255 -0.0241 0.013 -0.00727 -0.0404 -0.286 -0.30838 -1.7439 -1.0441 -0.5985 3121564 ChemDiv3_009624 CN(C1CCCCC1)C(=O)c2sc3nc(cn3c2C)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F11 compound treatment 1.121 1.1094 5.4656 0.942 0.92173 5.1222 1.032 1.0096 5.6233 9.3595 0.9993 3029919 ChemDiv3_009625 CC1CCCCC1N(C)C2CCN(CCNC(=O)/C=C/c3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F12 compound treatment -0.036 -0.047626 -0.2482 -0.112 -0.13227 -0.735 -0.038 -0.06038 -0.3415 -0.7648 -0.9023 3121565 ChemDiv3_009626 CCOc1ccccc1C(=O)NCc2ccc3[nH]c(C)cc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F13 compound treatment -0.099 -0.11063 -0.5766 0.102 0.08173 0.4542 0.101 0.07862 0.4446 0.186 0.2168 3121566 ChemDiv3_009627 Cc1oc(nc1CS(=O)CC(=O)NCc2cccs2)c3cccc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F14 compound treatment -0.058 -0.069626 -0.3629 0.15 0.12973 0.7209 0.05 0.02762 0.1562 0.2969 0.3611 3030556 ChemDiv3_009628 Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F15 compound treatment -0.07 -0.081626 -0.4255 0.067 0.04673 0.2597 0.387 0.36462 2.062 1.0948 0.5161 3121567 ChemDiv3_009629 CCN1CCN(CC1)C(=O)CS(=O)Cc2nc(oc2C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F16 compound treatment 0.092 0.080374 0.4189 0.007 -0.01327 -0.0737 0.124 0.10162 0.5747 0.5311 0.7428 3121568 ChemDiv3_009630 Cc1cc2cc(CNC(=O)Cc3cccc4ccccc34)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F17 compound treatment 0.073 0.061374 0.3199 0.344 0.32373 1.799 0.071 0.04862 0.275 1.3821 0.748 3030560 ChemDiv3_009631 Fc1ccc(CN2C(=O)c3ccccc3S(=O)c4ccc(cc24)C(=O)NCCc5ccccc5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F18 compound treatment -0.019 -0.030626 -0.1596 0.159 0.13873 0.7709 0.184 0.16162 0.914 0.8806 0.73 3121569 ChemDiv3_009632 COc1cc(/C=C\C(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F19 compound treatment 0.106 0.094374 0.4919 0.061 0.04073 0.2263 0.115 0.09262 0.5238 0.7171 0.9519 3030600 ChemDiv3_009633 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F20 compound treatment -0.067 -0.078626 -0.4098 -0.071 -0.09127 -0.5072 -0.075 -0.09738 -0.5507 -0.8474 -0.9928 3121570 ChemDiv3_009634 O=S(=O)(NCc1ccc2[nH]c3CCCCc3c2c1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F21 compound treatment -0.148 -0.15963 -0.832 0.171 0.15073 0.8376 0.181 0.15862 0.897 0.5211 0.3515 3121571 ChemDiv3_009635 O=C(N1CCCCC1)c2ccc3c(c2)N(Cc4ccccc4)C(=O)c5ccccc5S3(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F22 compound treatment 0.112 0.10037 0.5232 0.056 0.03573 0.1986 -0.058 -0.08038 -0.4546 0.1543 0.214 3030607 ChemDiv3_009636 S=C(NCc1ccc2[nH]c3CCCCc3c2c1)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F23 mock treatment -0.057 -0.068626 -0.3577 0.011 -0.00927 -0.0515 -0.031 -0.05338 -0.3019 -0.4105 -0.8719 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 F24 mock treatment -0.042 -0.053626 -0.2795 0.055 0.03473 0.193 0.007 -0.01538 -0.087 -0.1002 -0.2857 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G01 compound treatment 0.017 0.0053745 0.028 -0.275 -0.29527 -1.6409 -0.096 -0.11838 -0.6695 -1.3177 -0.7435 3121572 ChemDiv3_009637 O=C(NCc1cccs1)C(NS(=O)(=O)c2cccc3nsnc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G02 compound treatment 0.074 0.062374 0.3251 -0.026 -0.04627 -0.2571 -0.013 -0.03538 -0.2001 -0.0763 -0.1657 3030611 ChemDiv3_009638 C1COc2cc3sc(nc3cc2O1)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G03 compound treatment 0.15 0.13837 0.7212 0.051 0.03073 0.1708 -0.127 -0.14938 -0.8448 0.0273 0.0243 3121747 ChemDiv3_009639 C=CCn1c(=O)n(Cc2ccccc2C#N)c3cc(ccc3c1=O)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G04 compound treatment -0.049 -0.060626 -0.316 -0.017 -0.03727 -0.2071 -0.045 -0.06738 -0.381 -0.522 -0.9728 3030665 ChemDiv3_009640 CN(C(=O)c1cc2c(nn(C)c2s1)c3ccc(Cl)cc3)c4cc(Cl)ccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G05 compound treatment 0.076 0.064374 0.3355 0.019 -0.00127 -0.0071 0.287 0.26462 1.4965 1.0536 0.687 1628704 ChemDiv3_009641 O=C(CCn1c(=O)oc2ccccc12)NCCC3=CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G06 compound treatment 0.075 0.063374 0.3303 -0.025 -0.04527 -0.2516 0.206 0.18362 1.0384 0.645 0.5767 3121748 ChemDiv3_009642 CCN(CC)C(=O)CSc1c2CCCCc2nc3ccc(Cl)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G07 compound treatment 0.112 0.10037 0.5232 0.026 0.00573 0.0318 0.118 0.09562 0.5408 0.6326 0.8401 3030670 ChemDiv3_009643 CCN(C(=O)CCn1c(=O)sc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G08 compound treatment -0.012 -0.023626 -0.1231 -0.117 -0.13727 -0.7628 0.094 0.07162 0.405 -0.2777 -0.3183 3121749 ChemDiv3_009644 Clc1ccc(cc1)n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G09 compound treatment 0.0 -0.011626 -0.0606 0.036 0.01573 0.0874 0.013 -0.0093798 -0.053 -0.0151 -0.1274 3121750 ChemDiv3_009645 CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)Nc3cccc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G10 compound treatment 0.058 0.046374 0.2417 -0.029 -0.04927 -0.2738 0.12 0.09762 0.5521 0.3002 0.4535 3030674 ChemDiv3_009646 CCOC(=O)c1cn(CC(=O)Nc2ccccc2)nn1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G11 compound treatment -0.052 -0.063626 -0.3316 0.244 0.22373 1.2433 0.412 0.38962 2.2034 1.7985 0.7048 3121751 ChemDiv3_009647 Cn1c(cc2c(=O)[nH]c3ccccc3c12)C(=O)NCCCN4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G12 compound treatment 0.04 0.028374 0.1479 -0.037 -0.05727 -0.3183 -0.013 -0.03538 -0.2001 -0.2139 -0.5294 3030677 ChemDiv3_009648 CCc1ccc(NC(=O)CN(c2ccc3OCOc3c2)S(=O)(=O)c4c(C)noc4C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G13 compound treatment -0.198 -0.20963 -1.0926 -0.116 -0.13627 -0.7573 0.013 -0.0093798 -0.053 -1.0987 -0.8258 3121752 ChemDiv3_009649 CN(CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G14 compound treatment 0.0 -0.011626 -0.0606 0.046 0.02573 0.143 0.127 0.10462 0.5916 0.3892 0.6362 1173384 ChemDiv3_009650 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G15 compound treatment 0.018 0.0063745 0.0332 -0.08 -0.10027 -0.5572 0.144 0.12162 0.6878 0.0946 0.1068 3121753 ChemDiv3_009651 CC1CCN(CC1)C(=O)CSc2c3CCCCc3nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G16 compound treatment -0.005 -0.016626 -0.0867 -0.031 -0.05127 -0.2849 0.07 0.04762 0.2693 -0.059 -0.1471 3121754 ChemDiv3_009652 CCCN(CCC)C(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N(CC)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G17 compound treatment 0.144 0.13237 0.69 0.325 0.30473 1.6934 -0.158 -0.18038 -1.0201 0.7871 0.3759 3030731 ChemDiv3_009653 CN1CSC2=C(C#N)C(CC(=O)N2C1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G18 compound treatment -0.11 -0.12163 -0.6339 0.038 0.01773 0.0985 0.104 0.08162 0.4616 -0.0426 -0.0539 3121755 ChemDiv3_009654 CCn1cc(C(=O)N2CCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G19 compound treatment -0.199 -0.21063 -1.0978 0.164 0.14373 0.7987 0.042 0.01962 0.111 -0.1086 -0.0797 3030735 ChemDiv3_009655 CC(C)c1ccc2nc(Nc3nc4ccc(cc4s3)S(=O)(=O)C)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G20 compound treatment -0.37 -0.38163 -1.9891 0.011 -0.00927 -0.0515 0.27 0.24762 1.4003 -0.3697 -0.1519 3121756 ChemDiv3_009656 CCn1cc(C(=O)NC2CCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G21 compound treatment -0.076 -0.087626 -0.4567 0.012 -0.00827 -0.046 -0.057 -0.07938 -0.4489 -0.5494 -0.8557 3030738 ChemDiv3_009657 COc1cccc2sc(nc12)N3CCc4ccccc4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G22 compound treatment 0.012 3.7448E-4 0.002 -0.108 -0.12827 -0.7128 0.077 0.05462 0.3089 -0.2321 -0.2987 3121757 ChemDiv3_009658 O=C(NCc1ccccc1)c2ccc(CS(=O)c3ccccc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G23 mock treatment 0.168 0.15637 0.8151 0.072 0.05173 0.2875 0.148 0.12562 0.7104 1.0467 0.9356 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 G24 mock treatment 0.136 0.12437 0.6483 0.121 0.10073 0.5598 -0.049 -0.07138 -0.4037 0.4644 0.4905 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H01 compound treatment 0.057 0.045374 0.2365 0.0 -0.02027 -0.1126 0.075 0.05262 0.2976 0.2433 0.6137 3121758 ChemDiv3_009659 Brc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)NCCN3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H02 compound treatment -0.074 -0.085626 -0.4463 -0.073 -0.09327 -0.5183 -0.006 -0.02838 -0.1605 -0.6496 -0.9246 3029701 ChemDiv3_009660 CC(C)c1ccc(NC(=O)c2cc(C)nn2c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H03 compound treatment -0.033 -0.044626 -0.2326 0.16 0.13973 0.7765 0.118 0.09562 0.5408 0.6262 0.6427 3121759 ChemDiv3_009661 COc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H04 compound treatment 0.0 -0.011626 -0.0606 -0.088 -0.10827 -0.6017 0.013 -0.0093798 -0.053 -0.413 -0.6803 3029705 ChemDiv3_009662 CCCNC(=O)C1=C(C)C(=O)OC21CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H05 compound treatment -0.012 -0.023626 -0.1231 -0.012 -0.03227 -0.1793 -0.057 -0.07938 -0.4489 -0.4338 -0.8696 3121760 ChemDiv3_009663 Cc1oc(nc1CN2CCC(CC2)C(=O)NC3CCCC3)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H06 compound treatment -0.081 -0.092626 -0.4828 -0.173 -0.19327 -1.074 -0.082 -0.10438 -0.5903 -1.2396 -0.9411 3029709 ChemDiv3_009664 COC(CNc1cc(C)nc2c(c(C)nn12)c3ccccc3OC)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H07 compound treatment -0.062 -0.073626 -0.3838 -0.114 -0.13427 -0.7462 -0.242 -0.26438 -1.4951 -1.5156 -0.884 3121761 ChemDiv3_009665 Cc1oc(nc1CN2CCCC(C2)C(=O)NCCc3ccc(C)cc3)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H08 compound treatment -0.301 -0.31263 -1.6295 -0.099 -0.11927 -0.6628 0.092 0.06962 0.3937 -1.0961 -0.6081 3029714 ChemDiv3_009666 Cc1nn2c(cc(C)nc2c1c3ccc(Cl)cc3)N4CCC(CC4)C(=O)N5CCOCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H09 compound treatment 0.117 0.10537 0.5492 0.038 0.01773 0.0985 0.129 0.10662 0.603 0.7221 0.879 3029766 ChemDiv3_009667 CCc1ccc(cc1)c2nc(CSCC(=O)N3CCc4ccccc4C3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H10 compound treatment 0.0 -0.011626 -0.0606 0.006 -0.01427 -0.0793 0.0 -0.02238 -0.1266 -0.1538 -0.9545 3121762 ChemDiv3_009668 CC1CCN(CC1)C(=O)c2sc3nc(cn3c2C)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H11 compound treatment 0.206 0.19437 1.0131 0.215 0.19473 1.0821 0.079 0.05662 0.3202 1.3946 0.9196 3121763 ChemDiv3_009669 CC1CCCCC1N(C)C2CCN(CCCNC(=O)/C=C/c3cccc(c3)C(F)(F)F)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H12 compound treatment 0.024 0.012374 0.0645 -0.087 -0.10727 -0.5961 -0.06 -0.08238 -0.4659 -0.5759 -0.7585 3029773 ChemDiv3_009670 CCOc1cc(cc(OCC)c1OCC)C(=O)NCc2ccc3[nH]c(C)cc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H13 compound treatment 0.17 0.15837 0.8255 0.196 0.17573 0.9766 0.287 0.26462 1.4965 1.9044 0.9675 3121764 ChemDiv3_009671 Cc1oc(nc1CS(=O)CC(=O)NCCC2=CCCCC2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H14 compound treatment -0.014 -0.025626 -0.1336 -0.012 -0.03227 -0.1793 -0.006 -0.02838 -0.1605 -0.2733 -0.993 3029778 ChemDiv3_009672 Cc1cc2cc(CNC(=O)CCC3CCCCC3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H15 compound treatment 0.013 0.0013745 0.0072 0.084 0.06373 0.3542 -0.02 -0.04238 -0.2397 0.0702 0.1642 3121765 ChemDiv3_009673 CCOC(=O)N1CCC(CC1)NC(=O)CS(=O)(=O)Cc2nc(oc2C)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H16 compound treatment -0.037 -0.048626 -0.2534 0.037 0.01673 0.093 -0.059 -0.08138 -0.4602 -0.3584 -0.6716 3029780 ChemDiv3_009674 O=C(CCC1CCCC1)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H17 compound treatment -0.088 -0.099626 -0.5193 0.097 0.07673 0.4264 0.079 0.05662 0.3202 0.1312 0.1763 3121766 ChemDiv3_009675 Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)c4ccc(cc24)C(=O)N5CCCCCC5)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H18 compound treatment 0.059 0.047374 0.2469 0.052 0.03173 0.1763 -0.206 -0.22838 -1.2915 -0.5013 -0.3779 3029842 ChemDiv3_009676 Clc1ccc(OCC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H19 compound treatment -0.182 -0.19363 -1.0092 -0.206 -0.22627 -1.2574 -0.018 -0.04038 -0.2284 -1.4405 -0.8846 3029843 ChemDiv3_009677 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H20 compound treatment 0.039 0.027374 0.1427 0.184 0.16373 0.9099 0.037 0.01462 0.0827 0.6554 0.7088 3121767 ChemDiv3_009678 Cc1cc2cc(CNC(=S)NCc3ccccc3)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H21 compound treatment -0.137 -0.14863 -0.7747 -0.048 -0.06827 -0.3794 -0.024 -0.04638 -0.2623 -0.8177 -0.907 3121768 ChemDiv3_009679 Fc1ccc(CN2C(=O)CS(=O)c3ccc(cc23)C(=O)Nc4ccccc4Br)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H22 compound treatment 0.067 0.055374 0.2886 0.152 0.13173 0.732 0.138 0.11562 0.6539 0.9668 0.945 3029851 ChemDiv3_009680 Cc1cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H23 mock treatment 0.174 0.16237 0.8463 0.005 -0.01527 -0.0849 -0.1 -0.12238 -0.6921 0.0401 0.0365 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 H24 mock treatment 0.059 0.047374 0.2469 0.064 0.04373 0.243 0.09 0.06762 0.3824 0.5036 0.9761 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I01 compound treatment -0.172 -0.18363 -0.9571 -0.042 -0.06227 -0.346 -0.129 -0.15138 -0.8561 -1.2466 -0.9374 3121769 ChemDiv3_009681 O=C(NCc1ccccc1)C(Cc2ccccc2)NS(=O)(=O)c3cccc4nsnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I02 compound treatment 0.013 0.0013745 0.0072 -0.126 -0.14627 -0.8128 -0.068 -0.09038 -0.5111 -0.7603 -0.7918 3029855 ChemDiv3_009682 COc1ccc(cc1Cl)n2nc(C(=O)Nc3cc(C)on3)c4c5ccccc5n(C)c4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I03 compound treatment 0.066 0.054374 0.2834 0.061 0.04073 0.2263 -0.052 -0.07438 -0.4206 0.0515 0.0926 3121770 ChemDiv3_009683 Cc1ccccc1Cn2c(=O)n(Cc3ccco3)c(=O)c4ccc(cc24)C(=O)NC5CCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I04 compound treatment 0.048 0.036374 0.1896 -0.06 -0.08027 -0.4461 -0.142 -0.16438 -0.9296 -0.6848 -0.6532 3121771 ChemDiv3_009684 CCN(C(=O)c1cc2c(nn(C)c2s1)c3ccc(Cl)cc3)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I05 compound treatment -0.051 -0.062626 -0.3264 -0.107 -0.12727 -0.7073 0.12 0.09762 0.5521 -0.2781 -0.2912 3029925 ChemDiv3_009685 COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc23)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I06 compound treatment 0.047 0.035374 0.1844 0.136 0.11573 0.6431 -0.03 -0.05238 -0.2962 0.3067 0.4192 3121772 ChemDiv3_009686 Cc1cccc(CCNC(=O)CSc2c3CCCCc3nc4ccc(Cl)cc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I07 compound treatment -0.048 -0.059626 -0.3108 0.12 0.09973 0.5542 0.075 0.05262 0.2976 0.3124 0.4452 3029930 ChemDiv3_009687 CCc1ccccc1NC(=O)CCn2c(=O)sc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I08 compound treatment -0.032 -0.043626 -0.2274 0.056 0.03573 0.1986 0.107 0.08462 0.4785 0.2596 0.4589 3121957 ChemDiv3_009688 O=C(N(CN1CCCC1=O)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I09 compound treatment 0.02 0.0083745 0.0436 -0.055 -0.07527 -0.4183 -0.038 -0.06038 -0.3415 -0.4134 -0.7632 3029932 ChemDiv3_009689 COC(=O)c1sc2nc(SCC(=O)N(C)c3ccccc3)n(N)c(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I10 compound treatment 0.048 0.036374 0.1896 -0.156 -0.17627 -0.9796 0.007 -0.01538 -0.087 -0.5063 -0.5055 3121958 ChemDiv3_009690 CC1Cc2ccccc2N1C(=O)C3CCN(CC3)S(=O)(=O)c4c(C)noc4/C=C/c5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I11 compound treatment 0.02 0.0083745 0.0436 -0.094 -0.11427 -0.635 -0.08 -0.10238 -0.579 -0.6757 -0.7853 3121959 ChemDiv3_009691 COc1ccc(Br)cc1CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I12 compound treatment -0.053 -0.064626 -0.3368 -0.045 -0.06527 -0.3627 -0.022 -0.04438 -0.251 -0.5488 -0.9888 3029937 ChemDiv3_009692 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N(CC=C)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I13 compound treatment 0.17 0.15837 0.8255 -0.007 -0.02727 -0.1515 0.064 0.04162 0.2354 0.525 0.6023 3121960 ChemDiv3_009693 Cc1cccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I14 compound treatment -0.066 -0.077626 -0.4046 0.02 -2.7002E-4 -0.0015 -0.02 -0.04238 -0.2397 -0.3728 -0.7928 3029940 ChemDiv3_009694 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I15 compound treatment 0.095 0.083374 0.4346 -0.119 -0.13927 -0.7739 0.234 0.21162 1.1968 0.495 0.3322 3031103 ChemDiv3_009695 O=C(CSc1c2CCCCc2nc3ccccc13)N4CCCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I16 compound treatment -0.049 -0.060626 -0.316 -0.025 -0.04527 -0.2516 -0.089 -0.11138 -0.6299 -0.6913 -0.9239 3031104 ChemDiv3_009696 Cn1cc(C(=O)N2CCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I17 compound treatment 0.039 0.027374 0.1427 -0.052 -0.07227 -0.4016 -0.211 -0.23338 -1.3198 -0.9115 -0.6572 3031105 ChemDiv3_009697 O=C1CC(C(=C2SCN(Cc3ccccc3)CN12)C#N)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I18 compound treatment 0.056 0.044374 0.2313 -0.072 -0.09227 -0.5128 0.132 0.10962 0.6199 0.1954 0.2334 3031106 ChemDiv3_009698 CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I19 compound treatment 0.026 0.014374 0.0749 0.034 0.01373 0.0763 -0.163 -0.18538 -1.0484 -0.518 -0.4915 3031107 ChemDiv3_009699 CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I20 compound treatment -0.234 -0.24563 -1.2803 -0.012 -0.03227 -0.1793 -0.006 -0.02838 -0.1605 -0.9354 -0.718 3031108 ChemDiv3_009700 CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(ccc12)S(=O)(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I21 compound treatment -0.116 -0.12763 -0.6652 -0.036 -0.05627 -0.3127 -0.136 -0.15838 -0.8957 -1.0817 -0.9336 3031109 ChemDiv3_009701 COc1cccc2sc(nc12)N(C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I22 compound treatment 0.0 -0.011626 -0.0606 0.025 0.00473 0.0263 -0.032 -0.05438 -0.3075 -0.1974 -0.6275 3121961 ChemDiv3_009702 COC(CNC(=O)c1ccc(CS(=O)c2ccccc2)o1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I23 mock treatment 0.033 0.021374 0.1114 0.072 0.05173 0.2875 0.105 0.08262 0.4672 0.5001 0.8933 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 I24 mock treatment 0.078 0.066374 0.346 -0.029 -0.04927 -0.2738 0.022 -3.7977E-4 -0.0021 0.0404 0.0916 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J01 compound treatment 0.014 0.0023745 0.0124 0.015 -0.00527 -0.0293 0.034 0.01162 0.0657 0.0282 0.386 3121962 ChemDiv3_009703 COc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J02 compound treatment -0.156 -0.16763 -0.8737 0.059 0.03873 0.2152 0.07 0.04762 0.2693 -0.2247 -0.2392 3031110 ChemDiv3_009704 Cc1cc(C(=O)NCCCN2CCN(CC2)c3ccccc3F)n(n1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J03 compound treatment 0.012 3.7448E-4 0.002 0.205 0.18473 1.0266 -0.031 -0.05338 -0.3019 0.4195 0.3921 3121963 ChemDiv3_009705 COc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)NC(C)c3ccc4OCCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J04 compound treatment 0.122 0.11037 0.5753 0.243 0.22273 1.2377 -0.02 -0.04238 -0.2397 0.9084 0.6555 3031111 ChemDiv3_009706 CCc1cccc(NC(=O)C2=C(C)C(=O)OC32CCCCC3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J05 compound treatment 0.049 0.037374 0.1948 0.088 0.06773 0.3764 0.248 0.22562 1.2759 1.0664 0.7932 3121964 ChemDiv3_009707 COC(CNC(=O)C1CCN(Cc2nc(oc2C)c3ccc(Cl)cc3)CC1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J06 compound treatment -0.173 -0.18463 -0.9623 0.107 0.08673 0.482 0.0 -0.02238 -0.1266 -0.3504 -0.3233 3121965 ChemDiv3_009708 COc1ccccc1c2c(C)nn3c(NCCCN4CCCC4=O)cc(C)nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J07 compound treatment 0.092 0.080374 0.4189 0.193 0.17273 0.9599 -0.156 -0.17838 -1.0088 0.2136 0.1469 3121966 ChemDiv3_009709 Cc1oc(nc1CN2CCCC(C2)C(=O)NC3CCCc4ccccc34)c5cccc(Cl)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J08 compound treatment -0.025 -0.036626 -0.1909 -0.091 -0.11127 -0.6183 0.149 0.12662 0.7161 -0.0538 -0.0557 3031112 ChemDiv3_009710 O=C(NC1CCCCC1)C2N(CCCN3CCCC3=O)C(=O)Cn4cccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J09 compound treatment -0.125 -0.13663 -0.7121 -0.107 -0.12727 -0.7073 -0.215 -0.23738 -1.3424 -1.5945 -0.9513 3121967 ChemDiv3_009711 CCc1ccc(cc1)c2nc(CSCC(=O)NCc3ccccc3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J10 compound treatment 0.099 0.087374 0.4554 0.044 0.02373 0.1319 -0.075 -0.09738 -0.5507 0.0211 0.0291 3031113 ChemDiv3_009712 CCOC(=O)C1CCCN(C1)C(=O)c2sc3nc(cn3c2C)c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J11 compound treatment 0.739 0.72737 3.7912 0.344 0.32373 1.799 0.341 0.31862 1.8019 4.2678 0.9345 3121968 ChemDiv3_009713 CC1CCCCC1N(C)C2CCN(CCCNC(=O)/C=C/c3ccccc3Cl)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J12 compound treatment -0.17 -0.18163 -0.9467 -0.093 -0.11327 -0.6295 0.0 -0.02238 -0.1266 -0.9831 -0.8594 3031114 ChemDiv3_009714 Cc1cc2cc(CNC(=O)c3ccccc3C(F)(F)F)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J13 compound treatment 0.103 0.091374 0.4763 0.056 0.03573 0.1986 0.319 0.29662 1.6774 1.3581 0.7738 3121969 ChemDiv3_009715 CC1CCCCN1CCNC(=O)CS(=O)Cc2nc(oc2C)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J14 compound treatment 0.103 0.091374 0.4763 0.094 0.07373 0.4097 0.047 0.02462 0.1392 0.5919 0.9198 3121970 ChemDiv3_009716 Cc1cc2cc(CNC(=O)C3(CC4CC5CC(C4)C3)C5)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J15 compound treatment -0.014 -0.025626 -0.1336 -0.075 -0.09527 -0.5294 0.134 0.11162 0.6312 -0.0183 -0.022 3031115 ChemDiv3_009717 Cc1oc(nc1CS(=O)(=O)CC(=O)NCC2CCCO2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J16 compound treatment 0.0 -0.011626 -0.0606 0.024 0.00373 0.0207 0.057 0.03462 0.1958 0.09 0.437 3121971 ChemDiv3_009718 Cc1ccc(cc1C)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J17 compound treatment 0.131 0.11937 0.6222 0.153 0.13273 0.7376 0.105 0.08262 0.4672 1.0548 0.9839 3121972 ChemDiv3_009719 COC(CNC(=O)c1ccc2S(=O)c3ccccc3C(=O)N(Cc4cc(C)ccc4C)c2c1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J18 compound treatment -0.089 -0.10063 -0.5245 0.096 0.07573 0.4208 0.077 0.05462 0.3089 0.1185 0.1601 3031116 ChemDiv3_009720 COc1ccc(CC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J19 compound treatment 0.014 0.0023745 0.0124 0.065 0.04473 0.2486 0.064 0.04162 0.2354 0.2865 0.8365 3121973 ChemDiv3_009721 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)NCCN4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J20 compound treatment 0.024 0.012374 0.0645 0.142 0.12173 0.6765 -0.086 -0.10838 -0.6129 0.0739 0.0808 3031117 ChemDiv3_009722 Cc1cc2cc(CNC(=S)Nc3cccc(C)c3C)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J21 compound treatment 0.107 0.095374 0.4971 0.018 -0.00227 -0.0126 0.0 -0.02238 -0.1266 0.2067 0.4027 3121974 ChemDiv3_009723 CCOc1ccc(OCC)c(NC(=O)c2ccc3S(=O)CC(=O)N(Cc4ccccc4)c3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J22 compound treatment -0.007 -0.018626 -0.0971 -0.032 -0.05227 -0.2905 0.09 0.06762 0.3824 -0.003 -0.0061 3031118 ChemDiv3_009724 O=C(NCc1ccc2[nH]c3CCCCc3c2c1)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J23 mock treatment 0.02 0.0083745 0.0436 0.05 0.02973 0.1652 -0.081 -0.10338 -0.5846 -0.2169 -0.3562 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 J24 mock treatment -0.04 -0.051626 -0.2691 -0.058 -0.07827 -0.435 -0.068 -0.09038 -0.5111 -0.7016 -0.9703 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K01 compound treatment -0.073 -0.084626 -0.4411 -0.136 -0.15627 -0.8684 0.105 0.08262 0.4672 -0.4863 -0.4501 3121975 ChemDiv3_009725 CC1=CC2=NC(=O)/C(=C\c3ccco3)/C(=N)N2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K02 compound treatment -0.062 -0.073626 -0.3838 -0.007 -0.02727 -0.1515 -0.243 -0.26538 -1.5008 -1.1755 -0.7553 3121976 ChemDiv3_009726 COc1ccc(cc1Cl)n2nc(C(=O)NCc3ccc(C)cc3)c4c5ccccc5n(C)c4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K03 compound treatment 0.012 3.7448E-4 0.002 0.04 0.01973 0.1096 -0.171 -0.19338 -1.0936 -0.567 -0.5158 3031119 ChemDiv3_009727 Cc1ccccc1Cn2c(=O)n(Cc3ccco3)c(=O)c4ccc(cc24)C(=O)NCCc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K04 compound treatment 0.195 0.18337 0.9558 0.342 0.32173 1.7879 -0.135 -0.15738 -0.89 1.0702 0.4834 3121977 ChemDiv3_009728 COc1ccccc1NC(=O)CSc2c3CCCc3nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K05 compound treatment -0.006 -0.017626 -0.0919 0.006 -0.01427 -0.0793 -0.108 -0.13038 -0.7373 -0.5245 -0.7019 3031120 ChemDiv3_009729 CN(C(=O)CCn1c(=O)oc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K06 compound treatment -0.034 -0.045626 -0.2378 0.159 0.13873 0.7709 0.024 0.0016202 0.0092 0.3131 0.3881 3121978 ChemDiv3_009730 Clc1cccc(c1)N2CCN(CC2)c3c4CCCc4nc5ccc(Cl)cc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K07 compound treatment 0.519 0.50737 2.6446 -0.11 -0.13027 -0.7239 0.953 0.93062 5.2628 4.1474 0.6989 3121979 ChemDiv3_009731 N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc5ccc(C#N)cc5)c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K08 compound treatment -0.139 -0.15063 -0.7851 0.235 0.21473 1.1933 -0.32 -0.34238 -1.9362 -0.8822 -0.3667 3031121 ChemDiv3_009732 COc1ccccc1N(CN2CCCC2=O)C(=O)COc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K09 compound treatment 0.018 0.0063745 0.0332 -0.176 -0.19627 -1.0907 -0.181 -0.20338 -1.1502 -1.2746 -0.8039 3121980 ChemDiv3_009733 CCOC(=O)c1sc2nc(SCC(=O)Nc3ccc(OCC)cc3)n(N)c(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K10 compound treatment -0.186 -0.19763 -1.0301 0.006 -0.01427 -0.0793 0.026 0.0036202 0.0205 -0.6287 -0.6084 3031122 ChemDiv3_009734 Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K11 compound treatment -0.029 -0.040626 -0.2117 -0.037 -0.05727 -0.3183 -0.117 -0.13938 -0.7882 -0.7611 -0.8688 3121981 ChemDiv3_009735 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)Nc4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K12 compound treatment -0.144 -0.15563 -0.8112 0.019 -0.00127 -0.0071 0.026 0.0036202 0.0205 -0.4606 -0.5676 3031123 ChemDiv3_009736 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K13 compound treatment 0.053 0.041374 0.2157 0.054 0.03373 0.1874 0.028 0.0056202 0.0318 0.2511 0.8733 3121982 ChemDiv3_009737 CCOC(=O)N1CCC(CC1)NC(=O)c2cc3c(nn(C)c3s2)c4ccccc4F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K14 compound treatment 0.0 -0.011626 -0.0606 -0.029 -0.04927 -0.2738 -0.041 -0.06338 -0.3584 -0.4 -0.8789 3031124 ChemDiv3_009738 Cc1cccc(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K15 compound treatment 0.05 0.038374 0.2 0.101 0.08073 0.4486 0.026 0.0036202 0.0205 0.3863 0.7858 3122163 ChemDiv3_009739 O=C(CSc1c2CCCCc2nc3ccccc13)NCc4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K16 compound treatment -0.077 -0.088626 -0.4619 0.217 0.19673 1.0933 0.005 -0.01738 -0.0983 0.3077 0.2584 3122164 ChemDiv3_009740 Cn1cc(C(=O)NCCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K17 compound treatment -0.049 -0.060626 -0.316 0.076 0.05573 0.3097 -0.007 -0.02938 -0.1661 -0.0996 -0.2107 3031125 ChemDiv3_009741 COc1ccccc1C2CC(=O)N3CN(CSC3=C2C#N)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K18 compound treatment 0.057 0.045374 0.2365 0.003 -0.01727 -0.096 0.276 0.25362 1.4343 0.9092 0.6241 3122165 ChemDiv3_009742 CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K19 compound treatment -0.032 -0.043626 -0.2274 0.132 0.11173 0.6209 -0.1 -0.12238 -0.6921 -0.1724 -0.1801 1618758 ChemDiv3_009743 COc1ccc2nc(Nc3ccccc3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K20 compound treatment 0.085 0.073374 0.3824 -0.075 -0.09527 -0.5294 0.049 0.02662 0.1505 0.0021 0.0031 3122166 ChemDiv3_009744 CCC(C)NC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K21 compound treatment -0.141 -0.15263 -0.7955 0.081 0.06073 0.3375 -0.078 -0.10038 -0.5677 -0.5922 -0.5728 3031126 ChemDiv3_009745 Clc1cccc2sc(nc12)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K22 compound treatment 0.165 0.15337 0.7994 -0.006 -0.02627 -0.146 0.134 0.11162 0.6312 0.7417 0.7208 3122167 ChemDiv3_009746 O=C(NCCCN1CCCC1)c2ccc(CS(=O)c3ccccc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K23 mock treatment 0.168 0.15637 0.8151 -0.052 -0.07227 -0.4016 0.194 0.17162 0.9705 0.799 0.601 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 K24 mock treatment 0.089 0.077374 0.4033 0.104 0.08373 0.4653 0.131 0.10862 0.6143 0.8561 0.9843 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L01 compound treatment 0.577 0.56537 2.9469 0.105 0.08473 0.4709 -0.021 -0.04338 -0.2453 1.8316 0.6117 3031127 ChemDiv3_009747 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L02 compound treatment -0.114 -0.12563 -0.6548 -0.222 -0.24227 -1.3463 -0.006 -0.02838 -0.1605 -1.248 -0.8289 3122168 ChemDiv3_009748 CCOc1ccc(CCNC(=O)C2=C(C)C(=O)OC32CCC(C)CC3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L03 compound treatment -0.064 -0.075626 -0.3942 0.06 0.03973 0.2208 -0.046 -0.06838 -0.3867 -0.3234 -0.5438 3122169 ChemDiv3_009749 FC(F)(F)c1cccc(c1)S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L04 compound treatment 0.079 0.067374 0.3512 -0.075 -0.09527 -0.5294 -0.025 -0.04738 -0.2679 -0.2576 -0.3736 3031128 ChemDiv3_009750 CC1=C(C(=O)Nc2ccc(C)cc2)C3(CCCCC3)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L05 compound treatment 0.247 0.23537 1.2268 0.036 0.01573 0.0874 -0.099 -0.12138 -0.6864 0.3625 0.2573 3122170 ChemDiv3_009751 CC(CCc1ccccc1)NC(=O)C2CCN(Cc3nc(oc3C)c4ccc(Cl)cc4)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L06 compound treatment -0.04 -0.051626 -0.2691 -0.027 -0.04727 -0.2627 -0.13 -0.15238 -0.8617 -0.8045 -0.8557 3031129 ChemDiv3_009752 CCCN(CCC)CCNc1cc(C)nc2c(c(C)nn12)c3ccccc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L07 compound treatment 0.121 0.10937 0.5701 0.172 0.15173 0.8432 -0.225 -0.24738 -1.399 0.0083 0.0048 3122171 ChemDiv3_009753 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(Cc3nc(oc3C)c4cccc(C)c4)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L08 compound treatment -0.081 -0.092626 -0.4828 -0.185 -0.20527 -1.1407 -0.068 -0.09038 -0.5111 -1.2324 -0.9197 3031130 ChemDiv3_009754 CCCN(CCC)C(=O)c1sc2nc(cn2c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L09 compound treatment 0.017 0.0053745 0.028 -0.148 -0.16827 -0.9351 -0.081 -0.10338 -0.5846 -0.8612 -0.7807 3122172 ChemDiv3_009755 CCc1ccc(cc1)c2nc(CSCC(=O)NC3CC3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L10 compound treatment -0.019 -0.030626 -0.1596 0.0 -0.02027 -0.1126 0.009 -0.01338 -0.0757 -0.2009 -0.9588 3122173 ChemDiv3_009756 COc1ccc(cc1)c2cn3c(C)c(sc3n2)C(=O)N4CCN(CC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L11 compound treatment 0.374 0.36237 1.8888 0.538 0.51773 2.8771 0.679 0.65662 3.7133 4.8955 0.9669 3031131 ChemDiv3_009757 CN(C1CCCC1)C2CCN(CC2)C(=O)CNC(=O)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L12 compound treatment -0.129 -0.14063 -0.733 -0.063 -0.08327 -0.4627 -0.133 -0.15538 -0.8787 -1.1977 -0.9703 3122174 ChemDiv3_009758 Cc1cc2cc(CNC(=O)c3ccc4ccccc4c3)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L13 compound treatment -0.239 -0.25063 -1.3063 -0.123 -0.14327 -0.7962 -0.056 -0.07838 -0.4433 -1.4698 -0.9228 3122175 ChemDiv3_009759 Cc1oc(nc1CS(=O)CC(=O)N2CCC3(CC2)OCCO3)c4ccccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L14 compound treatment 0.083 0.071374 0.372 -0.054 -0.07427 -0.4127 -0.054 -0.07638 -0.4319 -0.2729 -0.3877 3031132 ChemDiv3_009760 Cc1cc2cc(CNC(=O)c3ccc(C)cc3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L15 compound treatment -0.18 -0.19163 -0.9988 -0.036 -0.05627 -0.3127 -0.06 -0.08238 -0.4659 -1.0262 -0.8957 3122176 ChemDiv3_009761 COc1cccc(c1)c2nc(CS(=O)(=O)CC(=O)Nc3ccccc3C)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L16 compound treatment -0.11 -0.12163 -0.6339 0.018 -0.00227 -0.0126 0.03 0.0076202 0.0431 -0.3484 -0.5482 3031133 ChemDiv3_009762 COc1ccccc1C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L17 compound treatment -0.017 -0.028626 -0.1492 0.058 0.03773 0.2097 0.429 0.40662 2.2995 1.3625 0.5889 3122177 ChemDiv3_009763 CCN1C(=O)c2ccccc2S(=O)c3ccc(cc13)C(=O)N(C)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L18 compound treatment -0.101 -0.11263 -0.587 -0.012 -0.03227 -0.1793 0.115 0.09262 0.5238 -0.1401 -0.1736 3031134 ChemDiv3_009764 Clc1ccc(CC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L19 compound treatment 0.075 0.063374 0.3303 0.043 0.02273 0.1263 0.194 0.17162 0.9705 0.824 0.7977 3122178 ChemDiv3_009765 CCCN(CCC)C(=O)c1ccc2c(c1)N(Cc3ccccc3F)C(=O)c4ccccc4S2(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L20 compound treatment 0.098 0.086374 0.4502 -0.109 -0.12927 -0.7184 0.193 0.17062 0.9649 0.4023 0.3132 3031135 ChemDiv3_009766 COc1ccc(OC)c(NC(=S)NCc2ccc3[nH]c(C)cc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L21 compound treatment 0.142 0.13037 0.6795 -0.062 -0.08227 -0.4572 0.062 0.03962 0.2241 0.2577 0.3035 3122179 ChemDiv3_009767 O=C(N1CCCCC1)c2ccc3S(=O)CC(=O)N(Cc4ccccc4)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L22 compound treatment 0.162 0.15037 0.7838 0.303 0.28273 1.5712 0.331 0.30862 1.7453 2.3673 0.9562 3122180 ChemDiv3_009768 Cn1c(=O)cc(OCC(=O)NCCC2=CCCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L23 mock treatment -0.049 -0.060626 -0.316 0.042 0.02173 0.1208 0.013 -0.0093798 -0.053 -0.1433 -0.4186 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 L24 mock treatment 0.07 0.058374 0.3043 0.113 0.09273 0.5153 -0.013 -0.03538 -0.2001 0.3577 0.5668 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M01 compound treatment 0.029 0.017374 0.0906 0.101 0.08073 0.4486 -0.292 -0.31438 -1.7779 -0.7152 -0.3896 3031281 ChemDiv3_009769 COc1cccc(CN2CCN(Cc3ccc(F)cc3)C2c4ccc(SC)cc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M02 compound treatment 0.209 0.19737 1.0288 -0.125 -0.14527 -0.8073 0.014 -0.0083798 -0.0474 0.1005 0.0768 3031282 ChemDiv3_009770 CCc1ccc(Nc2c3CCCc3nc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M03 compound treatment 0.179 0.16737 0.8724 -0.076 -0.09627 -0.535 -0.007 -0.02938 -0.1661 0.0989 0.0954 3031284 ChemDiv3_009771 CC(C)CN(CC(C)C)C(=O)CCn1c(=O)oc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M04 compound treatment -0.094 -0.10563 -0.5505 0.073 0.05273 0.293 -0.045 -0.06738 -0.381 -0.3687 -0.5044 3031285 ChemDiv3_009772 Clc1cccc(NC(=O)CSc2c3CCCc3nc4ccccc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M05 compound treatment -0.058 -0.069626 -0.3629 -0.039 -0.05927 -0.3294 0.08 0.05762 0.3259 -0.2116 -0.3595 3031287 ChemDiv3_009773 CC1Cc2ccccc2N1C(=O)CCn3c(=O)oc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M06 compound treatment 0.032 0.020374 0.1062 0.044 0.02373 0.1319 0.013 -0.0093798 -0.053 0.1068 0.6021 3031288 ChemDiv3_009774 NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M07 compound treatment -0.02 -0.031626 -0.1648 -0.007 -0.02727 -0.1515 0.0 -0.02238 -0.1266 -0.2557 -0.9943 3122181 ChemDiv3_009775 CC(C1Sc2ccccc2N(Cc3cccc(Cl)c3)C1=O)C(=O)NC4CCC(C)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M08 compound treatment 0.112 0.10037 0.5232 0.061 0.04073 0.2263 -0.082 -0.10438 -0.5903 0.0919 0.112 3031290 ChemDiv3_009776 CC1CC(C)CN(C1)c2nc3ccccc3c(=O)n2c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M09 compound treatment 0.053 0.041374 0.2157 0.038 0.01773 0.0985 -0.058 -0.08038 -0.4546 -0.081 -0.1581 3122182 ChemDiv3_009777 Cn1c(=O)c2cc(sc2c3ccc(Cl)cc13)C(=O)NCC4CCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M10 compound treatment 0.072 0.060374 0.3147 -0.039 -0.05927 -0.3294 0.084 0.06162 0.3485 0.1927 0.336 3031292 ChemDiv3_009778 CCCNS(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M11 compound treatment -0.105 -0.11663 -0.6079 -0.033 -0.05327 -0.296 0.0 -0.02238 -0.1266 -0.5949 -0.8649 3122183 ChemDiv3_009779 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M12 compound treatment -0.056 -0.067626 -0.3525 0.037 0.01673 0.093 -0.09 -0.11238 -0.6355 -0.5167 -0.7053 3031294 ChemDiv3_009780 COC(CN(C)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M13 compound treatment -0.016 -0.027626 -0.144 -0.092 -0.11227 -0.6239 -0.081 -0.10338 -0.5846 -0.7809 -0.9006 3122184 ChemDiv3_009781 Cn1nc(c2ccccc2F)c3cc(sc13)C(=O)NCCCN4CCN(CC4)c5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M14 compound treatment -0.087 -0.098626 -0.5141 -0.072 -0.09227 -0.5128 -0.037 -0.05938 -0.3358 -0.7867 -0.9834 3122185 ChemDiv3_009782 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCCCN3CCN(CC3)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M15 compound treatment 0.178 0.16637 0.8672 -0.053 -0.07327 -0.4072 0.101 0.07862 0.4446 0.5223 0.4945 3031297 ChemDiv3_009783 CCc1ccc(NC(=O)CSc2c3CCCCc3nc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M16 compound treatment -0.062 -0.073626 -0.3838 0.006 -0.01427 -0.0793 0.175 0.15262 0.8631 0.231 0.2437 3122186 ChemDiv3_009784 Cn1cc(C(=O)NCc2cccs2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M17 compound treatment 0.026 0.014374 0.0749 0.038 0.01773 0.0985 0.207 0.18462 1.0441 0.7029 0.6686 3031298 ChemDiv3_009785 COc1cccc2sc(Nc3sc4CCCCc4c3C(=O)N)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M18 compound treatment -0.127 -0.13863 -0.7225 -0.039 -0.05927 -0.3294 0.189 0.16662 0.9423 -0.0633 -0.0514 3122187 ChemDiv3_009786 CCn1cc(C(=O)NC2CCCCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M19 compound treatment 0.056 0.044374 0.2313 -0.007 -0.02727 -0.1515 0.106 0.08362 0.4729 0.3191 0.5824 3031358 ChemDiv3_009787 COc1ccc2nc(Nc3nnc(o3)c4ccccc4)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M20 compound treatment -0.013 -0.024626 -0.1284 0.083 0.06273 0.3486 0.322 0.29962 1.6944 1.1054 0.6373 3031359 ChemDiv3_009788 CCn1cc(C(=O)NCCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCC(C)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M21 compound treatment -0.191 -0.20263 -1.0561 0.11 0.08973 0.4986 0.007 -0.01538 -0.087 -0.3721 -0.3177 1644633 ChemDiv3_009789 CCOc1ccc2nc(sc2c1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M22 compound treatment -0.159 -0.17063 -0.8893 -0.019 -0.03927 -0.2182 -0.19 -0.21238 -1.201 -1.3329 -0.8825 3031361 ChemDiv3_009790 Clc1ccc(cc1)S(=O)Cc2ccc(o2)C(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M23 mock treatment 0.075 0.063374 0.3303 0.14 0.11973 0.6654 -0.019 -0.04138 -0.234 0.4398 0.5646 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 M24 mock treatment 0.177 0.16537 0.862 -0.056 -0.07627 -0.4238 0.029 0.0066202 0.0374 0.2746 0.2856 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N01 compound treatment 0.514 0.50237 2.6185 -0.079 -0.09927 -0.5517 -0.068 -0.09038 -0.5111 0.8982 0.3297 3031362 ChemDiv3_009791 Cc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N02 compound treatment 0.039 0.027374 0.1427 -0.044 -0.06427 -0.3572 -0.014 -0.03638 -0.2057 -0.2426 -0.5562 3031364 ChemDiv3_009792 CC1CCC2(CC1)OC(=O)C(=C2C(=O)N(C)Cc3ccccc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N03 compound treatment -0.166 -0.17763 -0.9258 -0.028 -0.04827 -0.2682 0.136 0.11362 0.6425 -0.3184 -0.2749 3031365 ChemDiv3_009793 FC(F)(F)c1cccc(c1)S(=O)(=O)Cc2ccc(o2)C(=O)NCc3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N04 compound treatment 0.129 0.11737 0.6118 0.006 -0.01427 -0.0793 -0.006 -0.02838 -0.1605 0.2148 0.3369 3122188 ChemDiv3_009794 CC1=C(C(=O)NC2CCCCC2)C3(CCCCC3)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N05 compound treatment 0.052 0.040374 0.2104 0.05 0.02973 0.1652 0.6 0.57762 3.2665 2.1028 0.6416 3122374 ChemDiv3_009795 Cc1oc(nc1CN2CCC(CC2)C(=O)NCc3ccco3)c4ccccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N06 compound treatment 0.084 0.072374 0.3772 -0.05 -0.07027 -0.3905 0.264 0.24162 1.3664 0.7812 0.5313 3031367 ChemDiv3_009796 COc1ccccc1c2c(C)nn3c(NCCN4CCCCC4C)cc(C)nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N07 compound treatment -0.047 -0.058626 -0.3056 0.085 0.06473 0.3597 0.213 0.19062 1.078 0.6536 0.5554 3122375 ChemDiv3_009797 COc1ccc(cc1OC)c2nc(CSCC(=O)N(C)Cc3ccccc3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N08 compound treatment 0.104 0.092374 0.4815 -0.146 -0.16627 -0.924 -0.006 -0.02838 -0.1605 -0.3481 -0.3302 3122376 ChemDiv3_009798 CCC1CCCCN1C(=O)c2sc3nc(cn3c2C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N09 compound treatment -0.056 -0.067626 -0.3525 0.0 -0.02027 -0.1126 -0.049 -0.07138 -0.4037 -0.5016 -0.916 3031371 ChemDiv3_009799 CCc1ccc(cc1)c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N10 compound treatment 0.021 0.0093745 0.0489 -0.146 -0.16627 -0.924 0.073 0.05062 0.2863 -0.34 -0.351 3122377 ChemDiv3_009800 COc1ccc(cc1)c2cn3c(C)c(sc3n2)C(=O)N4CCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N11 compound treatment -0.112 -0.12363 -0.6444 -0.011 -0.03127 -0.1738 0.095 0.07262 0.4107 -0.2352 -0.3002 3031373 ChemDiv3_009801 COc1ccc(cc1)c2nc(CS(=O)CC(=O)N3CCCC3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N12 compound treatment 0.061 0.049374 0.2574 -0.013 -0.03327 -0.1849 0.04 0.01762 0.0996 0.0994 0.2991 3122378 ChemDiv3_009802 Cc1cc2cc(CNC(=O)/C=C\c3ccccc3)ccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N13 compound treatment 0.089 0.077374 0.4033 0.226 0.20573 1.1433 0.125 0.10262 0.5803 1.228 0.9136 3031374 ChemDiv3_009803 CC(C)NC(=O)CS(=O)Cc1nc(oc1C)c2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N14 compound treatment -0.073 -0.084626 -0.4411 -0.053 -0.07327 -0.4072 0.084 0.06162 0.3485 -0.2886 -0.4157 3122379 ChemDiv3_009804 Cc1cc2cc(CNC(=O)/C=C\c3ccc4OCOc4c3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N15 compound treatment 0.061 0.049374 0.2574 0.051 0.03073 0.1708 0.164 0.14162 0.8009 0.7096 0.8266 3122380 ChemDiv3_009805 COc1cccc(c1)c2nc(CS(=O)(=O)CC(=O)NCCc3ccccc3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N16 compound treatment 0.048 0.036374 0.1896 0.127 0.10673 0.5931 0.018 -0.0043798 -0.0248 0.4376 0.7022 3031376 ChemDiv3_009806 COc1cccc(c1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N17 compound treatment 0.571 0.55937 2.9156 0.603 0.58273 3.2383 0.085 0.06262 0.3541 3.7574 0.8595 3122381 ChemDiv3_009807 CCCCN(C)C(=O)c1ccc2S(=O)c3ccccc3C(=O)N(CC)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N18 compound treatment 0.142 0.13037 0.6795 0.127 0.10673 0.5931 0.055 0.03262 0.1845 0.8413 0.9138 3031378 ChemDiv3_009808 Cc1cccc(CC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N19 compound treatment 0.013 0.0013745 0.0072 0.097 0.07673 0.4264 0.069 0.04662 0.2636 0.4025 0.8029 3122382 ChemDiv3_009809 CC(C)NC(=O)c1ccc2c(c1)N(Cc3ccccc3F)C(=O)c4ccccc4S2(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N20 compound treatment 0.159 0.14737 0.7682 0.038 0.01773 0.0985 0.346 0.32362 1.8301 1.557 0.7835 3122383 ChemDiv3_009810 Cc1cc2cc(CNC(=S)NC(C)(C)C)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N21 compound treatment -0.066 -0.077626 -0.4046 0.033 0.01273 0.0707 -0.027 -0.04938 -0.2793 -0.354 -0.7127 3031380 ChemDiv3_009811 COc1ccc(NC(=O)c2cc(C)nn2c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N22 compound treatment -0.09 -0.10163 -0.5297 -0.218 -0.23827 -1.3241 0.053 0.03062 0.1732 -0.9703 -0.6754 3122384 ChemDiv3_009812 Cn1c(=O)cc(OCC(=O)N2CCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N23 mock treatment 0.183 0.17137 0.8932 0.106 0.08573 0.4764 0.168 0.14562 0.8235 1.2662 0.9703 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 N24 mock treatment 0.024 0.012374 0.0645 0.093 0.07273 0.4042 0.075 0.05262 0.2976 0.4424 0.8742 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O01 compound treatment 0.141 0.12937 0.6743 0.007 -0.01327 -0.0737 -0.122 -0.14438 -0.8165 -0.1247 -0.1174 3122385 ChemDiv3_009813 COc1ccc(OC)c(c1)C2N(Cc3ccccc3C)CCN2Cc4ccccc4F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O02 compound treatment 0.033 0.021374 0.1114 0.014 -0.00627 -0.0348 0.048 0.02562 0.1449 0.1279 0.6872 3031382 ChemDiv3_009814 O=C/1NN(C(=O)\C1=C\c2ccc(SC3CCCCC3)o2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O03 compound treatment 0.155 0.14337 0.7473 0.085 0.06473 0.3597 -0.046 -0.06838 -0.3867 0.4159 0.4545 3122386 ChemDiv3_009815 O=C(CCn1c(=O)oc2ccccc12)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O04 compound treatment 0.2 0.18837 0.9819 0.206 0.18573 1.0321 -0.036 -0.05838 -0.3301 0.9722 0.6648 3031385 ChemDiv3_009816 CN(Cc1ccccc1)C(=O)CSc2c3CCCc3nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O05 compound treatment -0.12 -0.13163 -0.6861 -0.121 -0.14127 -0.7851 0.117 0.09462 0.5351 -0.5404 -0.4611 3031415 ChemDiv3_009817 CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O06 compound treatment 0.161 0.14937 0.7786 0.144 0.12373 0.6876 0.114 0.09162 0.5181 1.1456 0.9869 3031417 ChemDiv3_009818 CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1c3cccc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O07 compound treatment -0.036 -0.047626 -0.2482 -0.124 -0.14427 -0.8017 0.067 0.04462 0.2523 -0.4605 -0.5255 3031418 ChemDiv3_009819 CC(C1Sc2ccccc2N(Cc3cccc(Cl)c3)C1=O)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O08 compound treatment -0.06 -0.071626 -0.3733 0.065 0.04473 0.2486 0.138 0.11562 0.6539 0.3055 0.3853 3031420 ChemDiv3_009820 CCCCN(C)c1nc2ccccc2c(=O)n1c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O09 compound treatment -0.172 -0.18363 -0.9571 0.0 -0.02027 -0.1126 0.038 0.01562 0.0883 -0.5666 -0.5855 3031422 ChemDiv3_009821 Cn1c(=O)c2cc(sc2c3ccc(Cl)cc13)C(=O)NC4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O10 compound treatment 0.042 0.030374 0.1583 -0.006 -0.02627 -0.146 0.027 0.0046202 0.0261 0.0222 0.1024 3031424 ChemDiv3_009822 CSc1cccc(NS(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O11 compound treatment 0.0 -0.011626 -0.0606 -0.031 -0.05127 -0.2849 -0.041 -0.06338 -0.3584 -0.4064 -0.88 3122387 ChemDiv3_009823 CCc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O12 compound treatment -0.006 -0.017626 -0.0919 -0.032 -0.05227 -0.2905 0.0 -0.02238 -0.1266 -0.2938 -0.8906 3031425 ChemDiv3_009824 CCCNS(=O)(=O)c1ccc2n(C)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O13 compound treatment -0.123 -0.13463 -0.7017 0.063 0.04273 0.2375 0.063 0.04062 0.2297 -0.1354 -0.1746 3122388 ChemDiv3_009825 O=C(CSc1c2CCCCc2nc3ccccc13)NCCC4=CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O14 compound treatment 0.193 0.18137 0.9454 0.033 0.01273 0.0707 0.056 0.03362 0.1901 0.6964 0.7203 3031427 ChemDiv3_009826 CCN(c1ccc(C)c(C)c1)S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O15 compound treatment 0.0 -0.011626 -0.0606 0.11 0.08973 0.4986 -0.02 -0.04238 -0.2397 0.1145 0.2058 3122389 ChemDiv3_009827 COc1cccc(c1)C(=O)Nc2c3CCCCc3nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O16 compound treatment 0.09 0.078374 0.4085 -0.018 -0.03827 -0.2127 0.031 0.0086202 0.0487 0.1412 0.3049 3031429 ChemDiv3_009828 Cn1cc(C(=O)NC2CCCCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O17 compound treatment -0.12 -0.13163 -0.6861 0.065 0.04473 0.2486 -0.056 -0.07838 -0.4433 -0.5085 -0.5956 3122390 ChemDiv3_009829 COc1cccc2sc(NCc3ccccc3)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O18 compound treatment 0.162 0.15037 0.7838 0.15 0.12973 0.7209 0.327 0.30462 1.7227 1.8633 0.92 3122391 ChemDiv3_009830 CCn1cc(C(=O)NCCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O19 compound treatment -0.04 -0.051626 -0.2691 0.123 0.10273 0.5709 -0.02 -0.04238 -0.2397 0.0359 0.0531 3031431 ChemDiv3_009831 Fc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O20 compound treatment -0.047 -0.058626 -0.3056 0.05 0.02973 0.1652 0.247 0.22462 1.2703 0.6524 0.4954 3122392 ChemDiv3_009832 CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c3cc(ccc13)S(=O)(=O)N4CC(C)CC(C)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O21 compound treatment -0.006 -0.017626 -0.0919 0.113 0.09273 0.5153 0.017 -0.0053798 -0.0304 0.2269 0.4328 3031433 ChemDiv3_009833 Brc1ccc2nc(sc2c1)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O22 compound treatment -0.095 -0.10663 -0.5558 0.018 -0.00227 -0.0126 -0.122 -0.14438 -0.8165 -0.7996 -0.8095 3122393 ChemDiv3_009834 Cc1ccccc1S(=O)Cc2ccc(o2)C(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O23 mock treatment 0.057 0.045374 0.2365 0.049 0.02873 0.1597 0.067 0.04462 0.2523 0.3744 0.9829 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 O24 mock treatment -0.006 -0.017626 -0.0919 -0.006 -0.02627 -0.146 0.138 0.11562 0.6539 0.2402 0.3552 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P01 compound treatment 0.124 0.11237 0.5857 0.026 0.00573 0.0318 0.114 0.09162 0.5181 0.6557 0.8378 3031434 ChemDiv3_009835 COC(CN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P02 compound treatment 0.021 0.0093745 0.0489 0.035 0.01473 0.0819 0.149 0.12662 0.7161 0.4889 0.6768 3122394 ChemDiv3_009836 CC1CCC2(CC1)OC(=O)C(=C2C(=O)N(C)C3CCCCC3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P03 compound treatment -0.031 -0.042626 -0.2222 -0.03 -0.05027 -0.2794 0.118 0.09562 0.5408 0.0226 0.0349 3031435 ChemDiv3_009837 CC(C)CCNC(=O)c1ccc(CS(=O)(=O)c2cccc(c2)C(F)(F)F)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P04 compound treatment 0.053 0.041374 0.2157 -0.054 -0.07427 -0.4127 -0.03 -0.05238 -0.2962 -0.2848 -0.516 3122395 ChemDiv3_009838 CC1=C(C(=O)NCCCN2CCN(CC2)c3cc(Cl)ccc3C)C4(CCCCC4)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P05 compound treatment 0.092 0.080374 0.4189 0.144 0.12373 0.6876 0.104 0.08162 0.4616 0.9053 0.9755 3122396 ChemDiv3_009839 CCc1ccc(cc1)c2nc(CN3CCC(CC3)C(=O)NC4CC4)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P06 compound treatment 0.076 0.064374 0.3355 -0.024 -0.04427 -0.246 0.211 0.18862 1.0667 0.6675 0.583 3031438 ChemDiv3_009840 COc1ccc(cc1OC)c2c(C)nn3c(NCCC4=CCCCC4)cc(C)nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P07 compound treatment 0.149 0.13737 0.716 0.148 0.12773 0.7098 0.049 0.02662 0.1505 0.9101 0.8928 3122397 ChemDiv3_009841 Cc1oc(nc1CSCC(=O)N2CCCC2)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P08 compound treatment 0.631 0.61937 3.2283 0.256 0.23573 1.31 0.167 0.14462 0.8179 3.0924 0.8641 3031441 ChemDiv3_009842 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N4CCC5(CC4)OCCO5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P09 compound treatment -0.006 -0.017626 -0.0919 -0.018 -0.03827 -0.2127 0.197 0.17462 0.9875 0.3943 0.3887 3122398 ChemDiv3_009843 Cc1oc(nc1CSCC(=O)N2CCCC2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P10 compound treatment 0.013 0.0013745 0.0072 0.05 0.02973 0.1652 0.116 0.09362 0.5294 0.4052 0.7305 3122399 ChemDiv3_009844 COc1ccc(cc1)c2cn3c(C)c(sc3n2)C(=O)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P11 compound treatment 0.052 0.040374 0.2104 0.117 0.09673 0.5375 0.14 0.11762 0.6652 0.8159 0.9264 3031443 ChemDiv3_009845 COc1ccc(cc1)c2nc(CS(=O)CC(=O)NCC3CCCO3)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P12 compound treatment -0.045 -0.056626 -0.2951 -0.043 -0.06327 -0.3516 0.007 -0.01538 -0.087 -0.4236 -0.9067 3122400 ChemDiv3_009846 CCOc1ccc(CC(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P13 compound treatment 0.149 0.13737 0.716 0.068 0.04773 0.2652 0.1 0.07762 0.439 0.82 0.931 3122401 ChemDiv3_009847 Cc1oc(nc1CS(=O)CC(=O)NC2CC2)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P14 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 -0.11 -0.13238 -0.7486 -0.5322 -0.7008 3031445 ChemDiv3_009848 COc1cc(/C=C\C(=O)NCc2ccc3n(C)c(C)cc3c2)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P15 compound treatment 0.165 0.15337 0.7994 0.076 0.05573 0.3097 -0.083 -0.10538 -0.5959 0.2963 0.2838 3031483 ChemDiv3_009849 COc1cccc(c1)c2nc(CS(=O)(=O)CC(=O)NC3CCCC(C)C3C)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P16 compound treatment -0.034 -0.045626 -0.2378 0.037 0.01673 0.093 -0.047 -0.06938 -0.3924 -0.3101 -0.6625 3031484 ChemDiv3_009850 CCOc1ccc(cc1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P17 compound treatment 0.043 0.031374 0.1635 0.018 -0.00227 -0.0126 0.102 0.07962 0.4503 0.3471 0.7243 3031485 ChemDiv3_009851 CCN1C(=O)c2ccccc2S(=O)c3ccc(cc13)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P18 compound treatment -0.107 -0.11863 -0.6183 0.098 0.07773 0.432 0.058 0.03562 0.2014 0.0087 0.0112 3031486 ChemDiv3_009852 O=C(Cc1cccs1)NCc2ccc3[nH]c4CCCCc4c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P19 compound treatment 0.17 0.15837 0.8255 0.019 -0.00127 -0.0071 0.151 0.12862 0.7274 0.8925 0.8112 3031488 ChemDiv3_009853 CN(CCC#N)C(=O)c1ccc2c(c1)N(Cc3ccc(F)cc3)C(=O)c4ccccc4S2(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P20 compound treatment 0.149 0.13737 0.716 0.307 0.28673 1.5934 -0.166 -0.18838 -1.0653 0.7183 0.3511 3122587 ChemDiv3_009854 Cc1cc2cc(CNC(=S)NCCc3ccccc3)ccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P21 compound treatment -0.012 -0.023626 -0.1231 0.083 0.06273 0.3486 -0.051 -0.07338 -0.415 -0.1094 -0.1969 3031490 ChemDiv3_009855 Cc1cc(C(=O)Nc2cc(C)ccc2C)n(n1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P22 compound treatment 0.098 0.086374 0.4502 -0.121 -0.14127 -0.7851 0.031 0.0086202 0.0487 -0.1652 -0.1823 3122588 ChemDiv3_009856 CN1CCN(CC1)C(=O)COc2cc(=O)n(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P23 mock treatment -0.045 -0.056626 -0.2951 -0.115 -0.13527 -0.7517 -0.099 -0.12138 -0.6864 -1.0007 -0.9442 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2028 P24 mock treatment 0.07 0.058374 0.3043 0.107 0.08673 0.482 0.0 -0.02238 -0.1266 0.3809 0.6523 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A01 compound treatment 1.815 1.8034 6.7812 -0.028 -0.04827 -0.2682 0.037 0.01462 0.0827 3.808 0.5611 3031492 ChemDiv3_009857 COc1ccc(CCNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A02 compound treatment -0.103 -0.11463 -0.5975 0.021 7.2998E-4 0.0041 -0.135 -0.15738 -0.89 -0.8564 -0.799 3122589 ChemDiv3_009858 CCN(CC)C(=O)CSc1cc(=O)n(CC)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A03 compound treatment 0.0 -0.011626 -0.0606 -0.028 -0.04827 -0.2682 0.041 0.01862 0.1053 -0.1291 -0.4383 3122590 ChemDiv3_009859 CCc1ccc(CNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A04 compound treatment 0.018 0.0063745 0.0332 -0.006 -0.02627 -0.146 0.152 0.12962 0.733 0.3581 0.4787 3031494 ChemDiv3_009860 CCn1c(=O)cc(SCC(=O)NCCN2CCN(Cc3ccccc3)CC2)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A05 compound treatment 0.189 0.17737 0.9245 0.205 0.18473 1.0266 1.651 1.6286 7.0354 5.1884 0.7236 3122591 ChemDiv3_009861 CCOc1ccc(cc1)N(CC)C(=O)COc2cc(=O)n(CC)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A06 compound treatment 0.07 0.058374 0.3043 0.318 0.29773 1.6545 -0.031 -0.05338 -0.3019 0.9566 0.5597 3031496 ChemDiv3_009862 O=C(c1ccccc1)c2cn(Cc3ccccc3)c4ccccc4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A07 compound treatment 0.028 0.016374 0.0853 -0.077 -0.09727 -0.5405 0.079 0.05662 0.3202 -0.0779 -0.1229 3122592 ChemDiv3_009863 CCc1ccccc1NC(=O)CCCOc2cc(=O)n(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A08 compound treatment 0.083 0.071374 0.372 0.1 0.07973 0.4431 0.099 0.07662 0.4333 0.7208 0.9972 3122593 ChemDiv3_009864 Fc1ccc(cc1)c2cc(COCC(=O)N3CCOCC3)no2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A09 compound treatment -0.025 -0.036626 -0.1909 -0.097 -0.11727 -0.6517 0.054 0.03162 0.1788 -0.3832 -0.5457 3031498 ChemDiv3_009865 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)NCc3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A10 compound treatment -0.245 -0.25663 -1.3376 -0.133 -0.15327 -0.8517 -0.34 -0.36238 -2.0493 -2.4472 -0.9444 3122594 ChemDiv3_009866 COc1ccc(cc1)c2cc3C(=O)CC(C)(C)Cc3n2Cc4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A11 compound treatment 0.0 -0.011626 -0.0606 0.086 0.06573 0.3653 0.058 0.03562 0.2014 0.2922 0.6932 3122595 ChemDiv3_009867 CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A12 compound treatment -0.09 -0.10163 -0.5297 -0.064 -0.08427 -0.4683 -0.028 -0.05038 -0.2849 -0.7407 -0.9717 3031501 ChemDiv3_009868 CCc1ccc(NC(=O)c2cc(C)n[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A13 compound treatment -0.039 -0.050626 -0.2639 0.028 0.00773 0.043 0.043 0.02062 0.1166 -0.0602 -0.2065 3122596 ChemDiv3_009869 O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](Cc3ccccc3)N4Cc5ccccc5C4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A14 compound treatment 0.551 0.53937 2.8113 0.103 0.08273 0.4597 0.036 0.01362 0.077 1.933 0.6783 3031503 ChemDiv3_009870 CCCSc1nnc(c2c[nH]c3ccccc23)n1CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A15 compound treatment 0.042 0.030374 0.1583 -0.02 -0.04027 -0.2238 0.197 0.17462 0.9875 0.5323 0.5194 3122597 ChemDiv3_009871 COc1ccccc1NC(=O)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A16 compound treatment -0.051 -0.062626 -0.3264 0.02 -2.7002E-4 -0.0015 0.066 0.04362 0.2467 -0.0469 -0.1146 3031505 ChemDiv3_009872 CN(Cc1ccccc1)C(=O)c2cc3c(Cl)nc4ccccc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A17 compound treatment 1.579 1.5674 6.4064 2.055 2.0347 7.5467 0.088 0.06562 0.3711 8.2701 0.8348 3122598 ChemDiv3_009873 Cc1nc2cc(nn2c(C)c1CCC(=O)N3CCc4ccccc34)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A18 compound treatment -0.185 -0.19663 -1.0249 -0.124 -0.14427 -0.8017 0.11 0.08762 0.4955 -0.7685 -0.5519 3031507 ChemDiv3_009874 Clc1ccc(CNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A19 compound treatment 0.056 0.044374 0.2313 0.027 0.00673 0.0374 0.122 0.09962 0.5634 0.4804 0.7873 3122599 ChemDiv3_009875 Cc1nc2ncnn2c(C)c1CCC(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A20 compound treatment -0.089 -0.10063 -0.5245 0.025 0.00473 0.0263 0.063 0.04062 0.2297 -0.155 -0.2704 3122600 ChemDiv3_009876 CCOC(=O)N1CCN(CC1)C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A21 compound treatment -0.122 -0.13363 -0.6965 0.013 -0.00727 -0.0404 0.047 0.02462 0.1392 -0.3451 -0.485 3031509 ChemDiv3_009877 CCCNC(=O)CCc1c(C)nc2n(C)c(=O)n(C)c(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A22 compound treatment 0.093 0.081374 0.4241 -0.007 -0.02727 -0.1515 -0.092 -0.11438 -0.6468 -0.2161 -0.2741 3031546 ChemDiv3_009878 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCC4(CCCC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A23 mock treatment 0.061 0.049374 0.2574 -0.013 -0.03327 -0.1849 -0.006 -0.02838 -0.1605 -0.0508 -0.1431 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 A24 mock treatment 0.055 0.043374 0.2261 0.052 0.03173 0.1763 0.079 0.05662 0.3202 0.4172 0.9707 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B01 compound treatment -0.046 -0.057626 -0.3004 0.107 0.08673 0.482 0.166 0.14362 0.8122 0.5738 0.579 3031547 ChemDiv3_009879 CCc1ccc(NC(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B02 compound treatment -0.12 -0.13163 -0.6861 -0.038 -0.05827 -0.3238 0.021 -0.0013798 -0.0078 -0.5876 -0.7744 3031548 ChemDiv3_009880 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)Nc3cccc(CC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B03 compound treatment 0.027 0.015374 0.0801 0.14 0.11973 0.6654 0.322 0.29962 1.6944 1.4087 0.7731 3031550 ChemDiv3_009881 CCCN(CCC)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B04 compound treatment 0.03 0.018374 0.0958 0.036 0.01573 0.0874 0.34 0.31762 1.7962 1.1428 0.6346 3031552 ChemDiv3_009882 O=C(/C=C/c1ccco1)N2CCn3c(C2)nc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B05 compound treatment 0.186 0.17437 0.9089 -0.048 -0.06827 -0.3794 -0.208 -0.23038 -1.3028 -0.4465 -0.2734 3031554 ChemDiv3_009883 CCN1CCCC1CNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B06 compound treatment -0.064 -0.075626 -0.3942 0.056 0.03573 0.1986 0.115 0.09262 0.5238 0.1895 0.2766 3122601 ChemDiv3_009884 Fc1ccc(CN2CCCN(C2)C(=O)c3oc(=O)c4ccccc4c3c5ccccc5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B07 compound treatment 0.127 0.11537 0.6014 0.246 0.22573 1.2544 0.193 0.17062 0.9649 1.6285 0.9619 3031557 ChemDiv3_009885 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCCN4CCN(Cc5ccccc5)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B08 compound treatment -0.097 -0.10863 -0.5662 0.11 0.08973 0.4986 0.038 0.01562 0.0883 0.012 0.0158 3122602 ChemDiv3_009886 COc1ccc(cc1)C(=O)NC(C)C(N2CCOCC2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B09 compound treatment 0.0 -0.011626 -0.0606 0.013 -0.00727 -0.0404 0.049 0.02662 0.1505 0.0286 0.1711 3031559 ChemDiv3_009887 COc1ccc2cc3c(N)nn(C(=O)c4ccncc4)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B10 compound treatment -0.12 -0.13163 -0.6861 -0.02 -0.04027 -0.2238 0.119 0.09662 0.5464 -0.2098 -0.2318 3122603 ChemDiv3_009888 CCN1CCN(CC1)C(C(C)NS(=O)(=O)c2ccc(C)cc2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B11 compound treatment -0.019 -0.030626 -0.1596 0.129 0.10873 0.6042 -0.043 -0.06538 -0.3697 0.0432 0.0595 3122604 ChemDiv3_009889 CC1CCN(CC1)C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc4n(C)c(=O)n(C)c(=O)c4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B12 compound treatment 0.045 0.033374 0.174 -0.071 -0.09127 -0.5072 -0.039 -0.06138 -0.3471 -0.3928 -0.615 3031560 ChemDiv3_009890 Cn1c(=O)n(C)c2nc(nc(SCc3cccc(c3)C(F)(F)F)c2c1=O)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B13 compound treatment 0.116 0.10437 0.544 0.047 0.02673 0.1485 0.048 0.02562 0.1449 0.4835 0.8304 3122605 ChemDiv3_009891 COc1cccc(NC(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B14 compound treatment 0.053 0.041374 0.2157 -0.044 -0.06427 -0.3572 0.0 -0.02238 -0.1266 -0.1548 -0.355 3031562 ChemDiv3_009892 CC(N1C(Nc2ccc(F)cc2)c3ccccc3C1=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B15 compound treatment 0.006 -0.0056255 -0.0293 0.218 0.19773 1.0988 0.241 0.21862 1.2363 1.3313 0.8047 3122606 ChemDiv3_009893 Clc1c2CCCCc2nc3cc(ccc13)C(=O)N4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B16 compound treatment -0.091 -0.10263 -0.5349 0.084 0.06373 0.3542 0.104 0.08162 0.4616 0.1621 0.2052 3031563 ChemDiv3_009894 Cc1nc2c(C)cccn2c1C(Nc3ccc(F)cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B17 compound treatment -0.163 -0.17463 -0.9102 -0.039 -0.05927 -0.3294 0.155 0.13262 0.75 -0.2827 -0.2308 3122607 ChemDiv3_009895 Clc1ccc(CCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B18 compound treatment -0.379 -0.39063 -2.036 0.086 0.06573 0.3653 -0.053 -0.07538 -0.4263 -1.2107 -0.5733 3122608 ChemDiv3_009896 COc1ccc(CN2CNc3c(C2)c(C)nn3c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B19 compound treatment 0.013 0.0013745 0.0072 0.121 0.10073 0.5598 -0.044 -0.06638 -0.3754 0.1106 0.1641 3031564 ChemDiv3_009897 CC1CCCCN1CCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B20 compound treatment 0.056 0.044374 0.2313 -0.108 -0.12827 -0.7128 -0.089 -0.11138 -0.6299 -0.6417 -0.6555 3122609 ChemDiv3_009898 CCOC(=O)N1CCC(=CC1)c2c(C)[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B21 compound treatment 0.014 0.0023745 0.0124 -0.085 -0.10527 -0.585 0.006 -0.01638 -0.0926 -0.3841 -0.6483 3031566 ChemDiv3_009899 Brc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B22 compound treatment 0.081 0.069374 0.3616 0.04 0.01973 0.1096 -0.039 -0.06138 -0.3471 0.0717 0.1397 3122610 ChemDiv3_009900 Cc1ccc2[nH]c3C(CCCc3c2c1)Nc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B23 mock treatment 0.156 0.14437 0.7525 0.05 0.02973 0.1652 0.078 0.05562 0.3145 0.7115 0.8549 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 B24 mock treatment 0.099 0.087374 0.4554 -0.036 -0.05627 -0.3127 0.13 0.10762 0.6086 0.4338 0.5277 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C01 compound treatment 0.063 0.051374 0.2678 -0.088 -0.10827 -0.6017 -0.061 -0.08338 -0.4715 -0.465 -0.5741 3122611 ChemDiv3_009901 Cn1c(=O)cc(OCC(=O)NCC2COc3ccccc3O2)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C02 compound treatment 0.02 0.0083745 0.0436 0.014 -0.00627 -0.0348 0.049 0.02662 0.1505 0.092 0.573 3031569 ChemDiv3_009902 CCn1c(=O)cc(SCC(=O)N2CCCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C03 compound treatment -0.037 -0.048626 -0.2534 0.095 0.07473 0.4153 0.082 0.05962 0.3372 0.2881 0.4867 3122612 ChemDiv3_009903 CC(NC(=O)COc1cc(=O)n(C)c2ccccc12)c3ccc4OCCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C04 compound treatment 0.105 0.093374 0.4867 -0.013 -0.03327 -0.1849 0.199 0.17662 0.9988 0.7509 0.6667 3031572 ChemDiv3_009904 CCn1c(=O)cc(SCC(=O)Nc2cccnc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C05 compound treatment -0.173 -0.18463 -0.9623 0.014 -0.00627 -0.0348 0.168 0.14562 0.8235 -0.1003 -0.0791 3122613 ChemDiv3_009905 CCn1c(=O)cc(OCC(=O)N(C)c2ccccc2F)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C06 compound treatment 0.045 0.033374 0.174 0.259 0.23873 1.3267 0.247 0.22462 1.2703 1.5998 0.8671 3122614 ChemDiv3_009906 Cc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c4cc5OCOc5cc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C07 compound treatment -0.03 -0.041626 -0.217 0.084 0.06373 0.3542 0.32 0.29762 1.6831 1.0509 0.6062 3031574 ChemDiv3_009907 COc1cccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C08 compound treatment 0.075 0.063374 0.3303 0.025 0.00473 0.0263 0.0 -0.02238 -0.1266 0.1328 0.3744 3031614 ChemDiv3_009908 CC(C)CC(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NC3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C09 compound treatment 0.044 0.032374 0.1687 0.219 0.19873 1.1044 -0.036 -0.05838 -0.3301 0.5444 0.4673 3031615 ChemDiv3_009909 O=C(C1CCCN1S(=O)(=O)c2cccc3nsnc23)N4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C10 compound treatment 0.022 0.010374 0.0541 -0.134 -0.15427 -0.8573 0.02 -0.0023798 -0.0135 -0.4715 -0.5488 3031616 ChemDiv3_009910 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)c3cc(n[nH]3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C11 compound treatment 0.08 0.068374 0.3564 0.02 -2.7002E-4 -0.0015 -0.058 -0.08038 -0.4546 -0.0575 -0.0996 3031618 ChemDiv3_009911 CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc34)CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C12 compound treatment 0.0 -0.011626 -0.0606 -0.043 -0.06327 -0.3516 0.0 -0.02238 -0.1266 -0.3111 -0.8217 3031619 ChemDiv3_009912 CC1CC(C)CN(C1)C(=O)c2cc(C)n[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C13 compound treatment -0.007 -0.018626 -0.0971 0.007 -0.01327 -0.0737 -0.046 -0.06838 -0.3867 -0.3219 -0.7939 3031620 ChemDiv3_009913 Cc1cccc(CCNC(=O)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C14 compound treatment 0.13 0.11837 0.617 -0.162 -0.18227 -1.0129 0.035 0.01262 0.0714 -0.1874 -0.1577 3122795 ChemDiv3_009914 CCn1c(SCC(=O)N2CCCC2)nnc1c3c[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C15 compound treatment 0.042 0.030374 0.1583 0.043 0.02273 0.1263 0.071 0.04862 0.275 0.3231 0.9461 3122796 ChemDiv3_009915 CCOc1ccc(NC(=O)[C@H](C(C)CC)N2Cc3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C16 compound treatment 0.287 0.27537 1.4353 0.167 0.14673 0.8154 0.059 0.03662 0.2071 1.419 0.8529 3031622 ChemDiv3_009916 Clc1nc2ccccc2c3sc(cc13)C(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C17 compound treatment -0.155 -0.16663 -0.8685 0.061 0.04073 0.2263 0.051 0.02862 0.1619 -0.2773 -0.3041 3122797 ChemDiv3_009917 Cc1nc2cc(nn2c(C)c1CCC(=O)Nc3ccc4OCCOc4c3)c5cccc(F)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C18 compound treatment 0.087 0.075374 0.3929 0.146 0.12573 0.6987 -0.034 -0.05638 -0.3188 0.4461 0.5172 3031624 ChemDiv3_009918 CC(C)CN(CC(C)C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C19 compound treatment 0.161 0.14937 0.7786 0.06 0.03973 0.2208 0.568 0.54562 3.0856 2.3584 0.7393 3122798 ChemDiv3_009919 Cc1nc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C20 compound treatment 0.018 0.0063745 0.0332 0.096 0.07573 0.4208 0.012 -0.01038 -0.0587 0.2283 0.5356 3031626 ChemDiv3_009920 CCOc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C21 compound treatment -0.006 -0.017626 -0.0919 0.138 0.11773 0.6542 0.229 0.20662 1.1685 0.9993 0.7445 3122799 ChemDiv3_009921 CCOC(=O)N1CCN(CC1)C(=O)C(CC(C)C)NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C22 compound treatment 0.011 -6.2552E-4 -0.0033 -0.132 -0.15227 -0.8462 -0.019 -0.04138 -0.234 -0.6255 -0.7125 3031629 ChemDiv3_009922 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C23 mock treatment -0.018 -0.029626 -0.1544 0.084 0.06373 0.3542 0.111 0.08862 0.5012 0.4047 0.6395 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 C24 mock treatment -0.185 -0.19663 -1.0249 0.131 0.11073 0.6153 -0.067 -0.08938 -0.5055 -0.5283 -0.407 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D01 compound treatment 0.013 0.0013745 0.0072 0.053 0.03273 0.1819 0.013 -0.0093798 -0.053 0.0785 0.4142 3122800 ChemDiv3_009923 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCCCN4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D02 compound treatment 0.195 0.18337 0.9558 0.314 0.29373 1.6323 0.072 0.04962 0.2806 1.6562 0.8661 3122801 ChemDiv3_009924 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3C(C)Cc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D03 compound treatment -0.114 -0.12563 -0.6548 -0.325 -0.34527 -1.9187 0.07 0.04762 0.2693 -1.3303 -0.6505 3031631 ChemDiv3_009925 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)CCC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D04 compound treatment -0.012 -0.023626 -0.1231 -0.062 -0.08227 -0.4572 -0.047 -0.06938 -0.3924 -0.5616 -0.9133 3031633 ChemDiv3_009926 O=S(=O)(Cc1ccccc1)N2CCn3c(C2)nc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D05 compound treatment 0.07 0.058374 0.3043 0.154 0.13373 0.7432 0.166 0.14362 0.8122 1.0737 0.94 3122802 ChemDiv3_009927 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N4CCN(CC4)c5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D06 compound treatment -0.075 -0.086626 -0.4515 0.063 0.04273 0.2375 0.068 0.04562 0.258 0.0254 0.0444 3122803 ChemDiv3_009928 CN(C(=O)c1oc(=O)c2ccccc2c1c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D07 compound treatment 0.209 0.19737 1.0288 0.132 0.11173 0.6209 0.088 0.06562 0.3711 1.1667 0.9277 3031635 ChemDiv3_009929 Cc1ccc(CCNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D08 compound treatment 0.127 0.11537 0.6014 -0.219 -0.23927 -1.3297 0.109 0.08662 0.4899 -0.1377 -0.0894 3122804 ChemDiv3_009930 CC(NC(=O)c1ccc(F)cc1)C(N2CCN(C)CC2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D09 compound treatment -0.09 -0.10163 -0.5297 -0.019 -0.03927 -0.2182 0.038 0.01562 0.0883 -0.3808 -0.657 3031636 ChemDiv3_009931 COc1ccc2cc3c(N)nn(C(=O)Cc4c(F)cccc4Cl)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D10 compound treatment 0.019 0.0073745 0.0384 -0.201 -0.22127 -1.2296 -0.117 -0.13938 -0.7882 -1.1428 -0.7822 3122805 ChemDiv3_009932 COc1ccccc1N2CCN(CC2)C(C(C)NS(=O)(=O)c3ccc(F)cc3)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D11 compound treatment -0.006 -0.017626 -0.0919 0.025 0.00473 0.0263 -0.019 -0.04138 -0.234 -0.173 -0.6843 3122806 ChemDiv3_009933 Cc1ccccc1NC(=O)C(NS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D12 compound treatment 0.026 0.014374 0.0749 -0.019 -0.03927 -0.2182 0.0 -0.02238 -0.1266 -0.1558 -0.5921 3031638 ChemDiv3_009934 COc1ccc(cc1)C(=O)CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D13 compound treatment 0.092 0.080374 0.4189 0.171 0.15073 0.8376 0.212 0.18962 1.0723 1.3446 0.9444 3122807 ChemDiv3_009935 CC1CCN(CC1)C(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D14 compound treatment -0.126 -0.13763 -0.7173 -0.053 -0.07327 -0.4072 -0.083 -0.10538 -0.5959 -0.9933 -0.9761 3031640 ChemDiv3_009936 Cc1csc(NC2N(Cc3ccccc3)C(=O)c4ccccc24)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D15 compound treatment -0.037 -0.048626 -0.2534 -0.033 -0.05327 -0.296 0.15 0.12762 0.7217 0.0994 0.1212 3122808 ChemDiv3_009937 CC1CCN(CC1)C(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D16 compound treatment -0.078 -0.089626 -0.4671 0.054 0.03373 0.1874 0.0 -0.02238 -0.1266 -0.2346 -0.4519 3031642 ChemDiv3_009938 COC(=O)c1cc(cc(c1)C(=O)OC)N2Cc3nccnc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D17 compound treatment 0.024 0.012374 0.0645 0.032 0.01173 0.0652 0.0 -0.02238 -0.1266 0.0018 0.0115 3031677 ChemDiv3_009939 CCN(Cc1ccccc1)C(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D18 compound treatment -0.112 -0.12363 -0.6444 0.192 0.17173 0.9543 -0.038 -0.06038 -0.3415 -0.0182 -0.0151 3031679 ChemDiv3_009940 COC(=O)c1cnn2CN(Cc3ccccc3)CNc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D19 compound treatment -0.012 -0.023626 -0.1231 0.215 0.19473 1.0821 -0.043 -0.06538 -0.3697 0.3402 0.2958 3031680 ChemDiv3_009941 CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D20 compound treatment 0.259 0.24737 1.2894 0.161 0.14073 0.7821 0.249 0.22662 1.2816 1.9359 0.9782 3031682 ChemDiv3_009942 Cc1[nH]c2ccccc2c1C3=CCNCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D21 compound treatment -0.035 -0.046626 -0.243 -0.024 -0.04427 -0.246 0.051 0.02862 0.1619 -0.1889 -0.4947 3031683 ChemDiv3_009943 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D22 compound treatment -0.007 -0.018626 -0.0971 0.05 0.02973 0.1652 0.086 0.06362 0.3598 0.2471 0.6061 3031685 ChemDiv3_009944 Cc1ccc2[nH]c3C(CCCc3c2c1)N4CCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D23 mock treatment 0.038 0.026374 0.1375 -0.148 -0.16827 -0.9351 0.086 0.06362 0.3598 -0.2528 -0.25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 D24 mock treatment -0.156 -0.16763 -0.8737 0.09 0.06973 0.3875 -0.084 -0.10638 -0.6016 -0.628 -0.5561 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E01 compound treatment -0.029 -0.040626 -0.2117 0.113 0.09273 0.5153 0.629 0.60662 3.4305 2.1559 0.6203 3031686 ChemDiv3_009945 Cn1c(=O)cc(OCC(=O)NCCCN2CCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E02 compound treatment -0.064 -0.075626 -0.3942 -0.028 -0.04827 -0.2682 0.357 0.33462 1.8923 0.7101 0.3639 3122809 ChemDiv3_009946 CCn1c(=O)cc(SCC(=O)NCCCN2CCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E03 compound treatment 0.066 0.054374 0.2834 -0.047 -0.06727 -0.3738 0.142 0.11962 0.6765 0.3384 0.411 3031687 ChemDiv3_009947 CCC(C)NC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E04 compound treatment 0.058 0.046374 0.2417 -0.064 -0.08427 -0.4683 0.088 0.06562 0.3711 0.0834 0.1294 3122810 ChemDiv3_009948 Cc1ccc(cc1)S(=O)(=O)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E05 compound treatment 0.064 0.052374 0.273 0.079 0.05873 0.3264 0.026 0.0036202 0.0205 0.3579 0.8401 3031689 ChemDiv3_009949 CCn1c(=O)cc(OCC(=O)NCCCN2CCCC2=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E06 compound treatment 0.118 0.10637 0.5544 0.12 0.09973 0.5542 -0.098 -0.12038 -0.6808 0.247 0.2379 3122811 ChemDiv3_009950 Clc1ccc(CNC(=O)c2cc3CSCc3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E07 compound treatment -0.163 -0.17463 -0.9102 0.218 0.19773 1.0988 -0.079 -0.10138 -0.5733 -0.2221 -0.1444 3122812 ChemDiv3_009951 O=C(NC1CCCCCCC1)C2CCCN(C2)S(=O)(=O)c3c[nH]cn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E08 compound treatment 0.032 0.020374 0.1062 0.252 0.23173 1.2878 0.025 0.0026202 0.0148 0.8134 0.6294 3031692 ChemDiv3_009952 O=S(=O)(c1ccccc1)c/2cc3ccccc3o\c2=N/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E09 compound treatment -0.013 -0.024626 -0.1284 0.118 0.09773 0.5431 -0.14 -0.16238 -0.9183 -0.2907 -0.2705 3122813 ChemDiv3_009953 Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)C3CCCN3S(=O)(=O)c4cccc5nsnc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E10 compound treatment -0.11 -0.12163 -0.6339 -0.013 -0.03327 -0.1849 -0.058 -0.08038 -0.4546 -0.7352 -0.9171 3031693 ChemDiv3_009954 O=C(N1CCCCC1)c2cc(n[nH]2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E11 compound treatment -0.007 -0.018626 -0.0971 0.128 0.10773 0.5987 -0.109 -0.13138 -0.743 -0.1394 -0.1453 3122814 ChemDiv3_009955 CN(CC(=O)NCc1ccccc1)S(=O)(=O)c2ccc3NC(=O)CCc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E12 compound treatment 0.0 -0.011626 -0.0606 0.019 -0.00127 -0.0071 0.104 0.08162 0.4616 0.2274 0.4885 3122815 ChemDiv3_009956 Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)C3CCN(CC3)c4ccc(nn4)N5CCOCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E13 compound treatment 0.65 0.63837 3.3274 -0.069 -0.08927 -0.4961 0.035 0.01262 0.0714 1.6758 0.498 3031696 ChemDiv3_009957 CCC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)NCc3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E14 compound treatment 0.214 0.20237 1.0548 0.103 0.08273 0.4597 -0.088 -0.11038 -0.6242 0.514 0.3927 3122816 ChemDiv3_009958 CCn1c(SCC(=O)N2CCCc3ccccc23)nnc1c4c[nH]c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E15 compound treatment -0.007 -0.018626 -0.0971 -0.047 -0.06727 -0.3738 0.147 0.12462 0.7048 0.135 0.168 3031698 ChemDiv3_009959 COc1ccc(NC(=O)[C@H](CCS(=O)(=O)C)N2Cc3ccccc3C2=O)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E16 compound treatment 0.026 0.014374 0.0749 -0.058 -0.07827 -0.435 0.042 0.01962 0.111 -0.1438 -0.316 3122817 ChemDiv3_009960 CN(C)CCNC(=O)c1cc2c(Cl)nc3ccccc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E17 compound treatment 0.109 0.097374 0.5075 0.083 0.06273 0.3486 0.006 -0.01638 -0.0926 0.4408 0.708 3122818 ChemDiv3_009961 COc1ccc(cc1)N2Cc3cccc(C(=O)Nc4cccc(OC)c4)c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E18 compound treatment 0.028 0.016374 0.0853 -0.128 -0.14827 -0.824 0.277 0.25462 1.4399 0.4049 0.2437 3031701 ChemDiv3_009962 Clc1nc2ccccc2c3sc(cc13)C(=O)NCCc4ccsc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E19 compound treatment -0.076 -0.087626 -0.4567 0.0 -0.02027 -0.1126 0.058 0.03562 0.2014 -0.2124 -0.4151 3122819 ChemDiv3_009963 CC(NC(=O)CCc1c(C)nc2n(nc(C)c2c1C)c3ccc(C)cc3)c4ccc5OCCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E20 compound treatment -0.059 -0.070626 -0.3681 -0.021 -0.04127 -0.2293 7.681 7.6586 10.7212 5.845 0.5447 3031703 ChemDiv3_009964 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)N4CCN(Cc5ccccc5)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E21 compound treatment -0.005 -0.016626 -0.0867 0.096 0.07573 0.4208 -0.043 -0.06538 -0.3697 -0.0205 -0.0362 3122820 ChemDiv3_009965 CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc3cccc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E22 compound treatment 0.0 -0.011626 -0.0606 0.104 0.08373 0.4653 0.101 0.07862 0.4446 0.4904 0.7586 3031705 ChemDiv3_009966 COC(CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E23 mock treatment 0.068 0.056374 0.2938 0.06 0.03973 0.2208 -0.006 -0.02838 -0.1605 0.2045 0.5098 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 E24 mock treatment 0.061 0.049374 0.2574 -0.007 -0.02727 -0.1515 0.022 -3.7977E-4 -0.0021 0.0598 0.2004 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F01 compound treatment -0.041 -0.052626 -0.2743 0.074 0.05373 0.2986 -0.067 -0.08938 -0.5055 -0.2778 -0.4287 3122821 ChemDiv3_009967 CCOc1ccccc1N(C)C(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F02 compound treatment -0.027 -0.038626 -0.2013 0.0 -0.02027 -0.1126 0.049 0.02662 0.1505 -0.0944 -0.3425 3031758 ChemDiv3_009968 CCCCN(Cc1ccccc1)S(=O)(=O)c2ccc3n(CC(=O)OCC)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F03 compound treatment -0.272 -0.28363 -1.4783 -0.086 -0.10627 -0.5906 0.228 0.20562 1.1628 -0.5231 -0.2654 3031760 ChemDiv3_009969 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)CC(OC)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F04 compound treatment -0.006 -0.017626 -0.0919 0.119 0.09873 0.5487 0.066 0.04362 0.2467 0.4061 0.6674 3031762 ChemDiv3_009970 O=C(Nc1ccccc1)N2CCn3c(C2)nc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F05 compound treatment 0.025 0.013374 0.0697 0.3 0.27973 1.5545 0.064 0.04162 0.2354 1.0736 0.6822 3031763 ChemDiv3_009971 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F06 compound treatment -0.013 -0.024626 -0.1284 0.05 0.02973 0.1652 -0.247 -0.26938 -1.5234 -0.8582 -0.5581 3031765 ChemDiv3_009972 CC(C)CCN(Cc1ccco1)C(=O)c2oc(=O)c3ccccc3c2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F07 compound treatment -0.026 -0.037626 -0.1961 0.243 0.22273 1.2377 -0.032 -0.05438 -0.3075 0.4238 0.3285 3031766 ChemDiv3_009973 CC(C)CN(CC(C)C)C(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F08 compound treatment 0.0 -0.011626 -0.0606 -0.126 -0.14627 -0.8128 0.287 0.26462 1.4965 0.3597 0.2111 3122997 ChemDiv3_009974 CCN1CCN(CC1)C(C(C)NC(=O)C(C)C)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F09 compound treatment -0.025 -0.036626 -0.1909 -0.023 -0.04327 -0.2405 -0.025 -0.04738 -0.2679 -0.4037 -0.9908 3031768 ChemDiv3_009975 COc1ccc2cc3c(N)nn(C(=O)CCn4c(=S)oc5ccccc45)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F10 compound treatment 0.04 0.028374 0.1479 -0.132 -0.15227 -0.8462 -0.073 -0.09538 -0.5394 -0.7146 -0.7045 3122998 ChemDiv3_009976 Cc1nc(SCc2ccc(cc2)C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F11 compound treatment -0.013 -0.024626 -0.1284 -0.006 -0.02627 -0.146 0.02 -0.0023798 -0.0135 -0.1662 -0.8527 3122999 ChemDiv3_009977 CN(CC(=O)NC1CCCC1)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F12 compound treatment 0.135 0.12337 0.6431 0.006 -0.01427 -0.0793 -0.007 -0.02938 -0.1661 0.2296 0.3432 3031771 ChemDiv3_009978 Cn1c(=O)n(C)c2nc(nc(SCC(=O)N3CCCc4ccccc34)c2c1=O)c5cccs5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F13 compound treatment 0.08 0.068374 0.3564 0.007 -0.01327 -0.0737 -0.04 -0.06238 -0.3528 -0.0405 -0.0799 3123000 ChemDiv3_009979 COc1ccccc1CNC(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F14 compound treatment -0.12 -0.13163 -0.6861 0.088 0.06773 0.3764 -0.013 -0.03538 -0.2001 -0.2943 -0.3644 1211662 ChemDiv3_009980 OC(=O)c1nccnc1C(=O)NCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F15 compound treatment -0.304 -0.31563 -1.6451 -0.043 -0.06327 -0.3516 0.456 0.43362 2.4522 0.263 0.0884 3123001 ChemDiv3_009981 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCC4CCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F16 compound treatment -0.019 -0.030626 -0.1596 -0.012 -0.03227 -0.1793 0.245 0.22262 1.259 0.5312 0.4144 3031773 ChemDiv3_009982 CCN1Cc2cccc(C(=O)O)c2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F17 compound treatment 0.019 0.0073745 0.0384 -0.08 -0.10027 -0.5572 0.0 -0.02238 -0.1266 -0.3726 -0.6506 3123002 ChemDiv3_009983 Cc1cccc(CN2CCC(CNC(=O)c3ccc4c(Cl)c5CCCCc5nc4c3)CC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F18 compound treatment -0.025 -0.036626 -0.1909 -0.217 -0.23727 -1.3185 0.071 0.04862 0.275 -0.7127 -0.5239 3031776 ChemDiv3_009984 O=C(NCCc1ccccc1)c2cc3ccccn3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F19 compound treatment 0.116 0.10437 0.544 0.184 0.16373 0.9099 0.177 0.15462 0.8744 1.3442 0.9782 3123003 ChemDiv3_009985 COc1ccc(CC(=O)N(Cc2nc(no2)c3ccc(Cl)cc3)C(C)C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F20 compound treatment -0.113 -0.12463 -0.6496 0.337 0.31673 1.7601 -0.506 -0.52838 -2.9881 -1.084 -0.3072 3031778 ChemDiv3_009986 Cc1ccc(cc1)c2cc(N)[nH]n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F21 compound treatment 0.036 0.024374 0.127 0.12 0.09973 0.5542 0.042 0.01962 0.111 0.4574 0.7895 3123004 ChemDiv3_009987 CCCN(CCC)S(=O)(=O)c1ccc2n(CC(=O)OCC)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F22 compound treatment -0.013 -0.024626 -0.1284 -0.031 -0.05127 -0.2849 0.034 0.01162 0.0657 -0.2007 -0.6284 3031780 ChemDiv3_009988 Cc1ccnc(c1)N2C(Nc3ccc(Br)c(C)c3)c4ccccc4C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F23 mock treatment 0.178 0.16637 0.8672 0.133 0.11273 0.6265 0.046 0.02362 0.1336 0.9395 0.8714 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 F24 mock treatment -0.147 -0.15863 -0.8268 -0.03 -0.05027 -0.2794 0.079 0.05662 0.3202 -0.4538 -0.4881 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G01 compound treatment -0.026 -0.037626 -0.1961 0.148 0.12773 0.7098 0.13 0.10762 0.6086 0.648 0.6782 3123005 ChemDiv3_009989 CCOc1ccccc1N(C)C(=O)COc2cc(=O)n(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G02 compound treatment 0.089 0.077374 0.4033 -0.15 -0.17027 -0.9462 -0.08 -0.10238 -0.579 -0.6477 -0.5488 3123006 ChemDiv3_009990 CCn1c(=O)cc(SCC(=O)N(CC=C)c2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G03 compound treatment -0.012 -0.023626 -0.1231 0.059 0.03873 0.2152 0.122 0.09962 0.5634 0.3784 0.6148 3031782 ChemDiv3_009991 CCn1c(=O)cc(OCC(=O)Nc2cccc(OC)c2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G04 compound treatment 0.06 0.048374 0.2521 0.105 0.08473 0.4709 0.07 0.04762 0.2693 0.5729 0.9578 3123007 ChemDiv3_009992 Fc1ccc(cc1)S(=O)(=O)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G05 compound treatment -0.102 -0.11363 -0.5922 -0.013 -0.03327 -0.1849 0.127 0.10462 0.5916 -0.1071 -0.1249 3031783 ChemDiv3_009993 CCn1c(=O)cc(OCC(=O)NC2CCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G06 compound treatment -0.055 -0.066626 -0.3473 0.228 0.20773 1.1544 -0.053 -0.07538 -0.4263 0.2199 0.172 3123008 ChemDiv3_009994 CC(C)CCNC(=O)c1cc2CSCc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G07 compound treatment -0.079 -0.090626 -0.4724 0.476 0.45573 2.5326 0.17 0.14762 0.8348 1.6714 0.6172 3123009 ChemDiv3_009995 COc1ccc(cc1)N2CCN(CCCNC(=O)C3CCCN(C3)S(=O)(=O)c4c[nH]cn4)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G08 compound treatment -0.047 -0.058626 -0.3056 0.102 0.08173 0.4542 0.024 0.0016202 0.0092 0.0911 0.1664 3031842 ChemDiv3_009996 COc1ccc2cc(/c(=N/c3ccc4OCCOc4c3)/oc2c1)S(=O)(=O)c5ccc(C)c(C)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G09 compound treatment 0.118 0.10637 0.5544 0.006 -0.01427 -0.0793 0.052 0.02962 0.1675 0.371 0.6347 3031844 ChemDiv3_009997 O=C(NCCc1ccccc1)C2CCCN2S(=O)(=O)c3cccc4nsnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G10 compound treatment 0.105 0.093374 0.4867 -0.073 -0.09327 -0.5183 0.123 0.10062 0.569 0.3103 0.3407 3031846 ChemDiv3_009998 CC1CCCC(C)N1C(=O)c2cc(n[nH]2)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G11 compound treatment -0.052 -0.063626 -0.3316 0.005 -0.01527 -0.0849 -0.169 -0.19138 -1.0823 -0.8653 -0.7623 3031848 ChemDiv3_009999 Cc1ccc(CNC(=O)[C@H](N2Cc3ccccc3C2=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G12 compound treatment -0.006 -0.017626 -0.0919 -0.116 -0.13627 -0.7573 -0.045 -0.06738 -0.381 -0.7102 -0.8329 3031849 ChemDiv3_010000 COc1ccc(CCNC(=O)C2CCN(CC2)c3ccc(nn3)N4CCOCC4)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G13 compound treatment 0.065 0.053374 0.2782 0.07 0.04973 0.2764 -0.049 -0.07138 -0.4037 0.0871 0.1548 3123010 ChemDiv3_010001 CCC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)NCc3ccccc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G14 compound treatment 0.128 0.11637 0.6066 -0.118 -0.13827 -0.7684 0.152 0.12962 0.733 0.3298 0.2697 3031851 ChemDiv3_010002 CCn1c(SCC(=O)NCCc2ccccc2)nnc1c3c[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G15 compound treatment 0.107 0.095374 0.4971 0.071 0.05073 0.2819 0.233 0.21062 1.1911 1.1375 0.861 3123011 ChemDiv3_010003 CCCNC(=O)CCc1c(C)nc2cc(nn2c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G16 compound treatment 0.0 -0.011626 -0.0606 0.209 0.18873 1.0488 0.288 0.26562 1.5021 1.4378 0.7844 3031853 ChemDiv3_010004 CCCCN(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G17 compound treatment -0.059 -0.070626 -0.3681 0.02 -2.7002E-4 -0.0015 0.012 -0.01038 -0.0587 -0.2473 -0.6634 3123012 ChemDiv3_010005 COc1ccc(cc1)N2Cc3cccc(C(=O)NCCc4cccc(C)c4)c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G18 compound treatment 0.093 0.081374 0.4241 -0.099 -0.11927 -0.6628 0.399 0.37662 2.1299 1.0919 0.4809 3123013 ChemDiv3_010006 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCCC4=CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G19 compound treatment -0.006 -0.017626 -0.0919 0.253 0.23273 1.2933 -0.031 -0.05338 -0.3019 0.5194 0.3901 3031856 ChemDiv3_010007 COc1ccc(CNC(=O)C2C(Oc3ccc(Cl)cc3Cl)C(=O)N2c4cccc(C)c4C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G20 compound treatment 0.006 -0.0056255 -0.0293 -0.071 -0.09127 -0.5072 0.041 0.01862 0.1053 -0.249 -0.4798 3123014 ChemDiv3_010008 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)N4CCN(CC4)c5ccccn5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G21 compound treatment 0.098 0.086374 0.4502 -0.047 -0.06727 -0.3738 -0.069 -0.09138 -0.5168 -0.2543 -0.3257 3123015 ChemDiv3_010009 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G22 compound treatment 0.04 0.028374 0.1479 -0.052 -0.07227 -0.4016 0.02 -0.0023798 -0.0135 -0.1543 -0.3602 3031859 ChemDiv3_010010 CN1CCN(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G23 mock treatment 0.028 0.016374 0.0853 0.079 0.05873 0.3264 0.046 0.02362 0.1336 0.3148 0.8677 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 G24 mock treatment -0.012 -0.023626 -0.1231 -0.036 -0.05627 -0.3127 0.108 0.08562 0.4842 0.0279 0.0474 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H01 compound treatment 0.06 0.048374 0.2521 0.052 0.03173 0.1763 0.126 0.10362 0.586 0.5857 0.8849 3123016 ChemDiv3_010011 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)c4cc(Cl)ccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H02 compound treatment -0.041 -0.052626 -0.2743 0.079 0.05873 0.3264 0.019 -0.0033798 -0.0191 0.019 0.0446 3031861 ChemDiv3_010012 Fc1ccc(CSc2nc3c4ccccc4sc3c(=O)n2CCC(=O)NCC5CCCO5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H03 compound treatment 0.071 0.059374 0.3095 0.0 -0.02027 -0.1126 -0.06 -0.08238 -0.4659 -0.1553 -0.2723 3123017 ChemDiv3_010013 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCC(OC)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H04 compound treatment -0.061 -0.072626 -0.3785 0.042 0.02173 0.1208 0.247 0.22462 1.2703 0.5846 0.4392 3031863 ChemDiv3_010014 CC(=O)OCC(=O)c1ccc2ccn(C(=O)C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H05 compound treatment 0.137 0.12537 0.6535 -0.036 -0.05627 -0.3127 -0.006 -0.02838 -0.1605 0.1041 0.1403 3123018 ChemDiv3_010015 CCc1ccc(NC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H06 compound treatment 0.078 0.066374 0.346 0.157 0.13673 0.7598 0.21 0.18762 1.061 1.251 0.9266 3123019 ChemDiv3_010016 CCOC(=O)N1CCN(CC(O)c2ccc3NCCc3c2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H07 compound treatment -0.12 -0.13163 -0.6861 0.025 0.00473 0.0263 -0.051 -0.07338 -0.415 -0.6205 -0.7735 3031866 ChemDiv3_010017 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)Nc4ccc5c(C)cc(=O)oc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H08 compound treatment 0.186 0.17437 0.9089 0.584 0.56373 3.1327 0.113 0.09062 0.5125 2.6293 0.7963 3123020 ChemDiv3_010018 CCC(=O)NC(C)C(N1CCN(CC1)c2ccccc2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H09 compound treatment -0.02 -0.031626 -0.1648 -0.089 -0.10927 -0.6072 -0.03 -0.05238 -0.2962 -0.6168 -0.8869 3031868 ChemDiv3_010019 Cc1ccc(NC(=O)Cn2nnc(c2N)S(=O)(=O)c3ccc(cc3)C(C)(C)C)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H10 compound treatment -0.02 -0.031626 -0.1648 0.04 0.01973 0.1096 0.075 0.05262 0.2976 0.1399 0.3915 3123021 ChemDiv3_010020 COC(=O)CSc1nc(C)nc2n(C)c(=O)n(C)c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H11 compound treatment -0.215 -0.22663 -1.1812 -0.099 -0.11927 -0.6628 -0.095 -0.11738 -0.6638 -1.4479 -0.9599 3123022 ChemDiv3_010021 CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H12 compound treatment -0.033 -0.044626 -0.2326 -0.039 -0.05927 -0.3294 -0.037 -0.05938 -0.3358 -0.5183 -0.9878 3031923 ChemDiv3_010022 COC(=O)c1ccc(CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)c4cccs4)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H13 compound treatment 0.142 0.13037 0.6795 -0.043 -0.06327 -0.3516 -0.074 -0.09638 -0.545 -0.1253 -0.1334 3031924 ChemDiv3_010023 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)NCc4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H14 compound treatment -0.02 -0.031626 -0.1648 0.156 0.13573 0.7543 0.122 0.09962 0.5634 0.6656 0.6964 3031926 ChemDiv3_010024 O=C(N1CCOCC1)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H15 compound treatment -0.056 -0.067626 -0.3525 -0.081 -0.10127 -0.5628 0.164 0.14162 0.8009 -0.066 -0.0635 3031927 ChemDiv3_010025 CC(C)NC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H16 compound treatment 0.043 0.031374 0.1635 0.024 0.00373 0.0207 -0.054 -0.07638 -0.4319 -0.143 -0.3093 3031928 ChemDiv3_010026 COc1cc(OC)c(NC2N(Cc3cccs3)C(=O)c4cccnc24)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H17 compound treatment 0.188 0.17637 0.9193 0.012 -0.00827 -0.046 0.13 0.10762 0.6086 0.8556 0.7754 3031930 ChemDiv3_010027 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCCN4CCN(Cc5ccccc5)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H18 compound treatment 0.086 0.074374 0.3877 0.238 0.21773 1.21 0.05 0.02762 0.1562 1.0126 0.791 3123023 ChemDiv3_010028 CC(C)NC(=S)N1CCN(CC1)c2ccc(nn2)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H19 compound treatment -0.083 -0.094626 -0.4932 -0.019 -0.03927 -0.2182 0.122 0.09962 0.5634 -0.0855 -0.1096 3031931 ChemDiv3_010029 CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)CCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H20 compound treatment -0.093 -0.10463 -0.5453 0.148 0.12773 0.7098 -0.11 -0.13238 -0.7486 -0.3373 -0.289 3123024 ChemDiv3_010030 COC(=O)c1c(N)onc1c2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H21 compound treatment -0.006 -0.017626 -0.0919 -0.025 -0.04527 -0.2516 0.253 0.23062 1.3042 0.5547 0.4166 3031933 ChemDiv3_010031 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N(C)CCC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H22 compound treatment -0.038 -0.049626 -0.2587 0.187 0.16673 0.9265 -0.026 -0.04838 -0.2736 0.2276 0.2276 3123202 ChemDiv3_010032 COc1cc(NC2N(C(=O)c3ccccc23)c4cc(C)ccn4)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H23 mock treatment 0.135 0.12337 0.6431 0.104 0.08373 0.4653 0.097 0.07462 0.422 0.8835 0.9829 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 H24 mock treatment 0.037 0.025374 0.1323 0.031 0.01073 0.0596 -0.032 -0.05438 -0.3075 -0.0668 -0.1964 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I01 compound treatment 0.055 0.043374 0.2261 -0.027 -0.04727 -0.2627 -0.028 -0.05038 -0.2849 -0.1856 -0.4137 3123203 ChemDiv3_010033 CCCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c3ccccc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I02 compound treatment 2.263 2.2514 7.3566 -0.013 -0.03327 -0.1849 -0.037 -0.05938 -0.3358 3.9467 0.5358 3031936 ChemDiv3_010034 CCn1c(=O)cc(SCC(=O)NCc2cccs2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I03 compound treatment 0.007 -0.0046255 -0.0241 -0.152 -0.17227 -0.9573 0.097 0.07462 0.422 -0.323 -0.3086 3123204 ChemDiv3_010035 CCn1c(=O)cc(OCC(=O)N2CCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I04 compound treatment 0.113 0.10137 0.5284 -0.039 -0.05927 -0.3294 0.031 0.0086202 0.0487 0.143 0.229 3031938 ChemDiv3_010036 COc1ccc2oc(=O)c(cc2c1)S(=O)(=O)c3ccc(cc3)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I05 compound treatment -0.014 -0.025626 -0.1336 0.086 0.06573 0.3653 -0.017 -0.03938 -0.2227 0.0052 0.0116 3123205 ChemDiv3_010037 CCOc1ccc(CNC(=O)COc2cc(=O)n(CC)c3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I06 compound treatment -0.117 -0.12863 -0.6704 0.0 -0.02027 -0.1126 0.773 0.75062 4.2449 1.9987 0.4649 3031940 ChemDiv3_010038 CCC1CCCCN1CCCNC(=O)c2cc3CSCc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I07 compound treatment 0.048 0.036374 0.1896 0.021 7.2998E-4 0.0041 0.019 -0.0033798 -0.0191 0.1008 0.5287 3123206 ChemDiv3_010039 Fc1ccccc1N2CCN(CCNC(=O)C3CCCN(C3)S(=O)(=O)c4c[nH]cn4)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I08 compound treatment 0.083 0.071374 0.372 0.048 0.02773 0.1541 0.051 0.02862 0.1619 0.3972 0.9152 1469954 ChemDiv3_010040 NCCC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I09 compound treatment -0.021 -0.032626 -0.1701 0.088 0.06773 0.3764 -0.006 -0.02838 -0.1605 0.0265 0.0597 3123207 ChemDiv3_010041 CC1Cc2ccccc2N1C(=O)C3CCCN3S(=O)(=O)c4cccc5nsnc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I10 compound treatment -0.006 -0.017626 -0.0919 -0.066 -0.08627 -0.4794 0.086 0.06362 0.3598 -0.1221 -0.2014 3031944 ChemDiv3_010042 COc1ccc(cc1)c2cc([nH]n2)C(=O)N3CCC4(CC3)OCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I11 compound treatment -0.007 -0.018626 -0.0971 -0.039 -0.05927 -0.3294 -0.178 -0.20038 -1.1332 -0.9005 -0.7605 3123208 ChemDiv3_010043 O=C(NCCc1ccccc1)[C@H](N2Cc3ccccc3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I12 compound treatment 0.022 0.010374 0.0541 -0.007 -0.02727 -0.1515 0.184 0.16162 0.914 0.4714 0.508 3031945 ChemDiv3_010044 Cn1c(SCC(=O)NCc2ccco2)nnc1c3c[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I13 compound treatment -0.023 -0.034626 -0.1805 -0.007 -0.02727 -0.1515 -0.055 -0.07738 -0.4376 -0.4443 -0.894 3123209 ChemDiv3_010045 O=C(NC1CCCC1)[C@H](CSCc2ccccc2)N3Cc4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I14 compound treatment -0.014 -0.025626 -0.1336 -0.141 -0.16127 -0.8962 0.147 0.12462 0.7048 -0.1877 -0.1635 3031947 ChemDiv3_010046 CCSc1nnc(c2c[nH]c3ccccc23)n1CCOC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I15 compound treatment 0.052 0.040374 0.2104 -0.106 -0.12627 -0.7017 0.137 0.11462 0.6482 0.0906 0.0926 3123210 ChemDiv3_010047 Cc1nc2cc(nn2c(C)c1CCC(=O)N3CCCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I16 compound treatment 0.062 0.050374 0.2626 -0.025 -0.04527 -0.2516 -0.05 -0.07238 -0.4093 -0.23 -0.42 3123211 ChemDiv3_010048 Clc1nc2ccccc2c3sc(cc13)C(=O)N4CCC5(CC4)OCCO5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I17 compound treatment -0.063 -0.074626 -0.389 0.123 0.10273 0.5709 0.053 0.03062 0.1732 0.205 0.2879 3031949 ChemDiv3_010049 COc1ccc(c2cc3nc(C)c(CCC(=O)NCc4ccc5OCOc5c4)c(C)n3n2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I18 compound treatment 0.494 0.48237 2.5142 0.741 0.72073 4.0052 0.08 0.05762 0.3259 3.9521 0.8338 3123212 ChemDiv3_010050 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)Nc4cnc5ccccc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I19 compound treatment 6.474 6.4624 9.6129 -0.048 -0.06827 -0.3794 -0.145 -0.16738 -0.9466 4.7845 0.4949 3030807 ChemDiv3_010051 Cc1nn(c2ccc(C)c(C)c2)c3nc(C)c(CCC(=O)NCC4CCN(C4)C5CCCC5)c(C)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I20 compound treatment -0.155 -0.16663 -0.8685 0.1 0.07973 0.4431 0.311 0.28862 1.6322 0.6967 0.3665 3030808 ChemDiv3_010052 CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I21 compound treatment 0.031 0.019374 0.101 -0.012 -0.03227 -0.1793 -0.038 -0.06038 -0.3415 -0.2424 -0.6079 3030810 ChemDiv3_010053 COc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)C(C)C)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I22 compound treatment -0.018 -0.029626 -0.1544 -0.135 -0.15527 -0.8629 -0.056 -0.07838 -0.4433 -0.8432 -0.8585 3030811 ChemDiv3_010054 CCC(C)NC(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I23 mock treatment -0.082 -0.093626 -0.488 0.058 0.03773 0.2097 0.0 -0.02238 -0.1266 -0.2338 -0.4281 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 I24 mock treatment 0.042 0.030374 0.1583 0.081 0.06073 0.3375 0.036 0.01362 0.077 0.3307 0.8688 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J01 compound treatment -0.007 -0.018626 -0.0971 0.013 -0.00727 -0.0404 -0.031 -0.05338 -0.3019 -0.2537 -0.7935 3030813 ChemDiv3_010055 CCN(C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1)c4ccc(CC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J02 compound treatment -0.019 -0.030626 -0.1596 0.034 0.01373 0.0763 0.027 0.0046202 0.0261 -0.033 -0.1847 3123213 ChemDiv3_010056 FC(F)(F)c1nc2ccccc2n(CC(=O)N3CCc4ccccc34)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J03 compound treatment -0.232 -0.24363 -1.2698 0.057 0.03673 0.2041 0.404 0.38162 2.1581 0.6307 0.251 3030815 ChemDiv3_010057 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(Cc4ccccc4)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J04 compound treatment -0.019 -0.030626 -0.1596 0.078 0.05773 0.3208 0.196 0.17362 0.9819 0.6599 0.6314 3123214 ChemDiv3_010058 O=C(CCn1c(=S)oc2ccccc12)N3CCn4c(C3)nc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J05 compound treatment -0.05 -0.061626 -0.3212 -0.067 -0.08727 -0.485 -0.052 -0.07438 -0.4206 -0.7083 -0.9867 3123215 ChemDiv3_010059 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCCCN4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J06 compound treatment -0.037 -0.048626 -0.2534 0.068 0.04773 0.2652 0.258 0.23562 1.3325 0.7761 0.5616 3030817 ChemDiv3_010060 CCOC(=O)N1CCN(CC(O)c2ccc3N(CCc3c2)C(=O)C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J07 compound treatment 0.006 -0.0056255 -0.0293 0.007 -0.01327 -0.0737 0.327 0.30462 1.7227 0.9351 0.5422 3123216 ChemDiv3_010061 CC1CCCCN1CCNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J08 compound treatment 0.107 0.095374 0.4971 -0.566 -0.58627 -3.258 -0.026 -0.04838 -0.2736 -1.752 -0.5298 3123217 ChemDiv3_010062 CC(NC(=O)c1ccncc1)C(N2CCN(Cc3ccccc3)CC2)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J09 compound treatment 0.056 0.044374 0.2313 0.084 0.06373 0.3542 -0.097 -0.11938 -0.6751 -0.0518 -0.065 3030820 ChemDiv3_010063 CCCN1C(O)c2ccc(cc2C1=O)C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J10 compound treatment -0.027 -0.038626 -0.2013 0.119 0.09873 0.5487 0.047 0.02462 0.1392 0.2809 0.4676 3123218 ChemDiv3_010064 COc1ccc(cc1)c2nc(SCC(=O)N)c3c(=O)n(C)c(=O)n(C)c3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J11 compound treatment -0.142 -0.15363 -0.8007 -0.09 -0.11027 -0.6128 -0.14 -0.16238 -0.9183 -1.3463 -0.9872 3030822 ChemDiv3_010065 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J12 compound treatment -0.018 -0.029626 -0.1544 -0.112 -0.13227 -0.735 0.048 0.02562 0.1449 -0.4299 -0.562 3123219 ChemDiv3_010066 Cc1[nH]c(nc1C(=O)O)c2ccc3OCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J13 compound treatment -0.053 -0.064626 -0.3368 -0.019 -0.03927 -0.2182 -0.106 -0.12838 -0.726 -0.7396 -0.8916 3123220 ChemDiv3_010067 COc1ccc(CCNC(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J14 compound treatment -0.048 -0.059626 -0.3108 -0.027 -0.04727 -0.2627 0.069 0.04662 0.2636 -0.1789 -0.3689 3030825 ChemDiv3_010068 O=C1N(Cc2ccccc2)Cc3ccncc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J15 compound treatment -0.135 -0.14663 -0.7642 0.07 0.04973 0.2764 0.227 0.20462 1.1572 0.3864 0.2733 3030826 ChemDiv3_010069 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCC4COc5ccccc5O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J16 compound treatment -0.006 -0.017626 -0.0919 0.195 0.17473 0.971 -0.194 -0.21638 -1.2237 -0.1989 -0.1271 3123221 ChemDiv3_010070 OCc1nccnc1C(=O)Nc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J17 compound treatment -0.06 -0.071626 -0.3733 0.044 0.02373 0.1319 0.026 0.0036202 0.0205 -0.1276 -0.3218 3123222 ChemDiv3_010071 Clc1ccccc1CNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J18 compound treatment -0.032 -0.043626 -0.2274 0.235 0.21473 1.1933 0.163 0.14062 0.7952 1.0168 0.7003 3030830 ChemDiv3_010072 Clc1ccc(nn1)N2CCN(CC2)C(=O)c3cc4ccccn4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J19 compound treatment 0.044 0.032374 0.1687 0.281 0.26073 1.4489 0.245 0.22262 1.259 1.6608 0.8619 3123223 ChemDiv3_010073 CC(C)N(Cc1nc(no1)c2ccc(C)cc2)C(=O)C(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J20 compound treatment 0.085 0.073374 0.3824 0.184 0.16373 0.9099 0.0 -0.02238 -0.1266 0.6731 0.6764 1113344 ChemDiv3_010074 Clc1ccc(cc1)N2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J21 compound treatment -0.046 -0.057626 -0.3004 0.0 -0.02027 -0.1126 -0.104 -0.12638 -0.7147 -0.6511 -0.8311 3123224 ChemDiv3_010075 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J22 compound treatment 0.078 0.066374 0.346 0.17 0.14973 0.8321 0.154 0.13162 0.7443 1.1099 0.9496 3030833 ChemDiv3_010076 COc1ccc(Cn2c(CCC(=O)NCc3ccccc3)nc4cccnc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J23 mock treatment 0.176 0.16437 0.8568 0.012 -0.00827 -0.046 -0.054 -0.07638 -0.4319 0.2187 0.2277 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 J24 mock treatment 0.097 0.085374 0.445 0.006 -0.01427 -0.0793 0.081 0.05862 0.3315 0.4025 0.7181 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K01 compound treatment 0.081 0.069374 0.3616 0.184 0.16373 0.9099 0.152 0.12962 0.733 1.1573 0.9462 3123225 ChemDiv3_010077 Cn1c(=O)cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K02 compound treatment 0.066 0.054374 0.2834 -0.13 -0.15027 -0.8351 0.047 0.02462 0.1392 -0.2381 -0.2667 3030888 ChemDiv3_010078 CCn1c(=O)cc(SCC(=O)NC2CCCc3ccccc23)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K03 compound treatment 0.048 0.036374 0.1896 0.195 0.17473 0.971 0.154 0.13162 0.7443 1.0998 0.8883 3030889 ChemDiv3_010079 CCn1c(=O)cc(OCC(=O)N2CCCCC2C)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K04 compound treatment 0.037 0.025374 0.1323 0.113 0.09273 0.5153 0.209 0.18662 1.0554 0.9832 0.8319 3030890 ChemDiv3_010080 COc1cccc2cc(c(=O)oc12)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K05 compound treatment 0.156 0.14437 0.7525 0.077 0.05673 0.3153 0.084 0.06162 0.3485 0.8177 0.9216 3030892 ChemDiv3_010081 Cn1c(=O)cc(OCCCC(=O)NC2CCCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K06 compound treatment 0.054 0.042374 0.2209 0.348 0.32773 1.8212 0.12 0.09762 0.5521 1.4977 0.7818 3030893 ChemDiv3_010082 Fc1ccc(cc1)c2cc(COCC(=O)Nc3ccc(F)cc3F)no2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K07 compound treatment -0.047 -0.058626 -0.3056 0.222 0.20173 1.121 -0.066 -0.08838 -0.4998 0.1823 0.1441 3030895 ChemDiv3_010083 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)N3CCN(C(C)C3)c4cccc(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K08 compound treatment 0.029 0.017374 0.0906 0.063 0.04273 0.2375 -0.036 -0.05838 -0.3301 -0.0012 -0.003 3123226 ChemDiv3_010084 O=C1CCCN1CC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K09 compound treatment 0.076 0.064374 0.3355 0.042 0.02173 0.1208 0.069 0.04662 0.2636 0.4157 0.9373 3030897 ChemDiv3_010085 CC(=O)Nc1ccc(NC(=O)C2CCCN2S(=O)(=O)c3cccc4nsnc34)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K10 compound treatment -0.179 -0.19063 -0.9936 -0.072 -0.09227 -0.5128 -0.068 -0.09038 -0.5111 -1.1648 -0.9475 3123227 ChemDiv3_010086 COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3cc(n[nH]3)c4ccccc4OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K11 compound treatment 0.057 0.045374 0.2365 -0.011 -0.03127 -0.1738 0.019 -0.0033798 -0.0191 0.0252 0.0856 3123228 ChemDiv3_010087 O=C([C@H](N1Cc2ccccc2C1=O)c3ccccc3)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K12 compound treatment -0.045 -0.056626 -0.2951 -0.024 -0.04427 -0.246 -0.117 -0.13938 -0.7882 -0.7675 -0.8753 3030900 ChemDiv3_010088 Cc1cccc(CSc2nnc(c3c[nH]c4ccccc34)n2C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K13 compound treatment 0.344 0.33237 1.7324 -0.178 -0.19827 -1.1018 0.019 -0.0033798 -0.0191 0.353 0.1719 3123229 ChemDiv3_010089 COc1ccccc1NC(=O)[C@H](CSCc2ccccc2)N3Cc4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K14 compound treatment 0.099 0.087374 0.4554 0.133 0.11273 0.6265 0.041 0.01862 0.1053 0.6854 0.8769 3030901 ChemDiv3_010090 CCSc1nnc(c2c[nH]c3ccccc23)n1c4cccc(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K15 compound treatment -0.011 -0.022626 -0.1179 0.137 0.11673 0.6487 0.171 0.14862 0.8405 0.7917 0.7411 3123406 ChemDiv3_010091 CCOC(=O)N1CCC(CC1)NC(=O)CCc2c(C)nc3c(c(C)nn3c2C)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K16 compound treatment 0.134 0.12237 0.6378 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 0.2302 0.3487 3030904 ChemDiv3_010092 Clc1nc2ccccc2c3sc(cc13)C(=O)NCCCN4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K17 compound treatment 0.048 0.036374 0.1896 0.052 0.03173 0.1763 0.075 0.05262 0.2976 0.3831 0.9712 3123407 ChemDiv3_010093 COc1ccc(c2cc3nc(C)c(CCC(=O)NC(C)c4cccs4)c(C)n3n2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K18 compound treatment 0.017 0.0053745 0.028 -0.042 -0.06227 -0.346 0.148 0.12562 0.7104 0.2265 0.2865 3123408 ChemDiv3_010094 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCC4CCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K19 compound treatment 0.069 0.057374 0.299 -0.012 -0.03227 -0.1793 0.036 0.01362 0.077 0.1136 0.3181 3030907 ChemDiv3_010095 Cc1nn(c2ccccc2)c3nc(cc(C)c13)C(=O)NN4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K20 compound treatment 0.017 0.0053745 0.028 -0.019 -0.03927 -0.2182 0.012 -0.01038 -0.0587 -0.1437 -0.6311 3123409 ChemDiv3_010096 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K21 compound treatment -0.12 -0.13163 -0.6861 0.128 0.10773 0.5987 -0.051 -0.07338 -0.415 -0.29 -0.2899 3030909 ChemDiv3_010097 Cc1ccc(C)c(c1)N2CCN(CC2)S(=O)(=O)c3ccc4N(CCc4c3)C(=O)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K22 compound treatment 0.11 0.098374 0.5128 0.079 0.05873 0.3264 0.019 -0.0033798 -0.0191 0.4734 0.7785 3123410 ChemDiv3_010098 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCC4CCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K23 mock treatment 0.131 0.11937 0.6222 0.165 0.14473 0.8043 0.038 0.01562 0.0883 0.8746 0.8569 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 K24 mock treatment -0.026 -0.037626 -0.1961 0.086 0.06573 0.3653 0.061 0.03862 0.2184 0.2238 0.4775 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L01 compound treatment -0.034 -0.045626 -0.2378 -0.102 -0.12227 -0.6795 0.151 0.12862 0.7274 -0.1096 -0.1071 3123411 ChemDiv3_010099 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)c4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L02 compound treatment 0.331 0.31937 1.6647 0.234 0.21373 1.1877 0.062 0.03962 0.2241 1.7762 0.8634 3030911 ChemDiv3_010100 FC(F)(F)c1nc2ccccc2n(CC(=O)N3CCc4ccccc4C3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L03 compound treatment 0.106 0.094374 0.4919 0.146 0.12573 0.6987 -0.014 -0.03638 -0.2057 0.5686 0.647 3123412 ChemDiv3_010101 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)Cc4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L04 compound treatment -0.057 -0.068626 -0.3577 -0.126 -0.14627 -0.8128 0.0 -0.02238 -0.1266 -0.7489 -0.8348 3030913 ChemDiv3_010102 CC(=O)OCC(=O)c1ccc2N(CCc2c1)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L05 compound treatment -0.019 -0.030626 -0.1596 0.144 0.12373 0.6876 -0.055 -0.07738 -0.4376 0.0522 0.0628 3123413 ChemDiv3_010103 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(CC=C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L06 compound treatment 0.0 -0.011626 -0.0606 0.129 0.10873 0.6042 0.024 0.0016202 0.0092 0.3192 0.5255 3030974 ChemDiv3_010104 CC1CCCCN1S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L07 compound treatment 0.031 0.019374 0.101 -0.018 -0.03827 -0.2127 -0.09 -0.11238 -0.6355 -0.4314 -0.6365 3123414 ChemDiv3_010105 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(Cc4ccco4)C5CCCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L08 compound treatment -0.053 -0.064626 -0.3368 -0.135 -0.15527 -0.8629 0.071 0.04862 0.275 -0.5339 -0.5526 3123415 ChemDiv3_010106 COc1ccc(cc1OC)C(=O)NC(C)C(N2CCN(CC2)c3ccccc3F)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L09 compound treatment -0.031 -0.042626 -0.2222 0.012 -0.00827 -0.046 0.03 0.0076202 0.0431 -0.1299 -0.5626 3030976 ChemDiv3_010107 CCCN1C(O)c2ccc(cc2C1=O)C(=O)NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L10 compound treatment -0.025 -0.036626 -0.1909 0.031 0.01073 0.0596 -0.236 -0.25838 -1.4612 -0.9194 -0.6234 3123416 ChemDiv3_010108 CCOC(=O)C(C)Sc1nc(nc2n(C)c(=O)n(C)c(=O)c12)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L11 compound treatment 0.15 0.13837 0.7212 0.101 0.08073 0.4486 0.19 0.16762 0.9479 1.2227 0.9606 3030977 ChemDiv3_010109 CN(CC(=O)NCc1ccccc1)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L12 compound treatment 0.188 0.17637 0.9193 -0.212 -0.23227 -1.2908 -0.189 -0.21138 -1.1954 -0.9046 -0.4557 3123417 ChemDiv3_010110 O=C1N(Cc2ccccc2)C(Nc3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L13 compound treatment 0.12 0.10837 0.5649 0.138 0.11773 0.6542 0.026 0.0036202 0.0205 0.7157 0.8278 3123418 ChemDiv3_010111 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)NCc4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L14 compound treatment 0.014 0.0023745 0.0124 -0.161 -0.18127 -1.0073 0.026 0.0036202 0.0205 -0.5626 -0.5584 3030979 ChemDiv3_010112 Cc1cc(NC2N(C3CCCCC3)C(=O)c4cccnc24)ccc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L15 compound treatment -0.149 -0.16063 -0.8372 0.169 0.14873 0.8265 -0.067 -0.08938 -0.5055 -0.298 -0.2327 3123419 ChemDiv3_010113 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCCCN4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L16 compound treatment -0.115 -0.12663 -0.66 -0.025 -0.04527 -0.2516 -0.065 -0.08738 -0.4941 -0.8116 -0.9415 3030982 ChemDiv3_010114 CCc1ccc(cc1)N2C(=O)c3ccncc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L17 compound treatment 0.129 0.11737 0.6118 0.006 -0.01427 -0.0793 0.304 0.28162 1.5926 1.2269 0.7184 3123420 ChemDiv3_010115 CCCN(CCC)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L18 compound treatment -0.019 -0.030626 -0.1596 -0.018 -0.03827 -0.2127 -0.041 -0.06338 -0.3584 -0.4219 -0.9453 3030984 ChemDiv3_010116 Cc1cccc(c1)C(=O)N2CCN(CC2)c3ccc(nn3)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L19 compound treatment 0.089 0.077374 0.4033 -0.117 -0.13727 -0.7628 -0.025 -0.04738 -0.2679 -0.3623 -0.401 3123421 ChemDiv3_010117 CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L20 compound treatment -0.227 -0.23863 -1.2438 -0.019 -0.03927 -0.2182 -0.02 -0.04238 -0.2397 -0.9825 -0.7644 3123422 ChemDiv3_010118 COc1ccc(NC2N(C(=O)c3ccccc23)c4ccc(Cl)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L21 compound treatment 0.036 0.024374 0.127 -0.006 -0.02627 -0.146 0.018 -0.0043798 -0.0248 -0.0252 -0.1293 3030986 ChemDiv3_010119 CCCNS(=O)(=O)c1ccc2n(CC(=O)OCC)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L22 compound treatment 0.036 0.024374 0.127 -0.09 -0.11027 -0.6128 0.043 0.02062 0.1166 -0.2131 -0.3348 3123423 ChemDiv3_010120 Cc1[nH]c2ccccc2c1C3=CCN(CC3)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L23 mock treatment 0.058 0.046374 0.2417 -0.073 -0.09327 -0.5183 0.079 0.05662 0.3202 0.0252 0.0384 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 L24 mock treatment 0.012 3.7448E-4 0.002 0.111 0.09073 0.5042 0.177 0.15462 0.8744 0.7971 0.7897 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M01 compound treatment 0.073 0.061374 0.3199 -0.044 -0.06427 -0.3572 -0.014 -0.03638 -0.2057 -0.1403 -0.2689 3030988 ChemDiv3_010121 CCc1cccc(NC(=O)COc2cc(=O)n(C)c3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M02 compound treatment 0.048 0.036374 0.1896 0.007 -0.01327 -0.0737 -0.021 -0.04338 -0.2453 -0.0748 -0.2346 3123424 ChemDiv3_010122 CCn1c(=O)cc(SCC(=O)NCC2(CCCC2)c3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M03 compound treatment 0.105 0.093374 0.4867 0.013 -0.00727 -0.0404 0.324 0.30162 1.7057 1.2425 0.7003 3030991 ChemDiv3_010123 CCn1c(=O)cc(OCC(=O)NCCCN2CCOCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M04 compound treatment -0.007 -0.018626 -0.0971 -0.073 -0.09327 -0.5183 0.078 0.05562 0.3145 -0.1737 -0.2829 3123425 ChemDiv3_010124 COc1ccc(OC)c(c1)S(=O)(=O)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M05 compound treatment 0.075 0.063374 0.3303 0.05 0.02973 0.1652 0.066 0.04362 0.2467 0.4285 0.9648 3123426 ChemDiv3_010125 Cn1c(=O)cc(OCCCC(=O)N2CCCCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M06 compound treatment 0.006 -0.0056255 -0.0293 0.307 0.28673 1.5934 0.131 0.10862 0.6143 1.2577 0.7364 3031061 ChemDiv3_010126 Fc1ccc(cc1)c2cc(COCC(=O)NCC3CCCO3)no2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M07 compound treatment -0.027 -0.038626 -0.2013 -0.102 -0.12227 -0.6795 0.142 0.11962 0.6765 -0.118 -0.1204 3031062 ChemDiv3_010127 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc3ccc(cc3)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M08 compound treatment 0.144 0.13237 0.69 0.255 0.23473 1.3044 -0.051 -0.07338 -0.415 0.9119 0.5949 3031063 ChemDiv3_010128 O=C1CCCN1CCC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M09 compound treatment 0.05 0.038374 0.2 0.129 0.10873 0.6042 -0.02 -0.04238 -0.2397 0.326 0.4793 3031064 ChemDiv3_010129 CCCN(C(=O)C1CCCN1S(=O)(=O)c2cccc3nsnc23)c4ccc(cc4)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M10 compound treatment -0.176 -0.18763 -0.9779 0.097 0.07673 0.4264 -0.138 -0.16038 -0.907 -0.8421 -0.6014 3031066 ChemDiv3_010130 COc1cccc(c1)c2cc([nH]n2)C(=O)NC3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M11 compound treatment 0.051 0.039374 0.2052 -0.039 -0.05927 -0.3294 -0.019 -0.04138 -0.234 -0.2068 -0.4563 3031067 ChemDiv3_010131 Fc1cccc(NC(=O)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M12 compound treatment -0.079 -0.090626 -0.4724 0.084 0.06373 0.3542 -0.115 -0.13738 -0.7769 -0.5168 -0.5296 3123427 ChemDiv3_010132 COC(=O)c1ccc(CSc2nnc(c3c[nH]c4ccccc34)n2C)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M13 compound treatment 0.0 -0.011626 -0.0606 -0.116 -0.13627 -0.7573 -0.02 -0.04238 -0.2397 -0.6106 -0.7665 3031069 ChemDiv3_010133 Fc1ccc(CNC(=O)[C@H](CSCc2ccccc2)N3Cc4ccccc4C3=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M14 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 -0.085 -0.10738 -0.6073 -0.4506 -0.7261 3123428 ChemDiv3_010134 COC(=O)C(C)Sc1nnc(c2c[nH]c3ccccc23)n1c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M15 compound treatment -0.006 -0.017626 -0.0919 0.013 -0.00727 -0.0404 0.027 0.0046202 0.0261 -0.0613 -0.5909 3123429 ChemDiv3_010135 CN(C(=O)CCc1c(C)nc2c(c(C)nn2c1C)c3ccc(F)cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M16 compound treatment 0.051 0.039374 0.2052 0.024 0.00373 0.0207 0.038 0.01562 0.0883 0.1815 0.8087 3031072 ChemDiv3_010136 CN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M17 compound treatment -0.283 -0.29463 -1.5357 0.076 0.05573 0.3097 0.506 0.48362 2.735 0.8712 0.2764 3123430 ChemDiv3_010137 COc1ccc(c2cc3nc(C)c(CCC(=O)Nc4ccccc4C(=O)N)c(C)n3n2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M18 compound treatment 0.129 0.11737 0.6118 -0.012 -0.03227 -0.1793 0.421 0.39862 2.2543 1.5512 0.6621 3031073 ChemDiv3_010138 CCN1CCCC1CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M19 compound treatment -0.041 -0.052626 -0.2743 0.029 0.00873 0.0485 0.185 0.16262 0.9196 0.4006 0.4169 3123431 ChemDiv3_010139 CCOC(=O)C1=C(CN2CCc3ccccc23)NC(=O)NC1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M20 compound treatment -0.081 -0.092626 -0.4828 -0.062 -0.08227 -0.4572 0.106 0.08362 0.4729 -0.2697 -0.3305 3031076 ChemDiv3_010140 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NC4CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M21 compound treatment -0.165 -0.17663 -0.9206 0.087 0.06673 0.3708 0.038 0.01562 0.0883 -0.2664 -0.2674 3123432 ChemDiv3_010141 COc1ccccc1NS(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M22 compound treatment 0.079 0.067374 0.3512 0.006 -0.01427 -0.0793 0.006 -0.01638 -0.0926 0.1035 0.2784 3120367 ChemDiv3_010142 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCCN(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M23 mock treatment 0.052 0.040374 0.2104 0.091 0.07073 0.3931 0.027 0.0046202 0.0261 0.3635 0.8139 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 M24 mock treatment 0.042 0.030374 0.1583 -0.007 -0.02727 -0.1515 -0.065 -0.08738 -0.4941 -0.2814 -0.5205 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N01 compound treatment -0.045 -0.056626 -0.2951 0.092 0.07173 0.3986 -0.061 -0.08338 -0.4715 -0.2125 -0.3105 3031078 ChemDiv3_010143 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCc4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N02 compound treatment 0.119 0.10737 0.5597 -0.069 -0.08927 -0.4961 0.04 0.01762 0.0996 0.0942 0.1249 3120368 ChemDiv3_010144 FC(F)(F)c1nc2ccccc2n(CC(=O)NCc3ccccc3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N03 compound treatment -0.136 -0.14763 -0.7695 0.111 0.09073 0.5042 0.255 0.23262 1.3155 0.6064 0.3777 3031080 ChemDiv3_010145 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCCc4ccsc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N04 compound treatment 0.019 0.0073745 0.0384 -0.101 -0.12127 -0.6739 0.384 0.36162 2.045 0.8138 0.3779 3030865 ChemDiv3_010146 S=C(NCc1ccccc1)N2CCn3c(C2)nc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N05 compound treatment 0.102 0.090374 0.4711 0.1 0.07973 0.4431 0.006 -0.01638 -0.0926 0.4743 0.726 3030868 ChemDiv3_010147 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCc4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N06 compound treatment 0.019 0.0073745 0.0384 -0.01 -0.03027 -0.1682 0.323 0.30062 1.7001 0.9066 0.5306 3030932 ChemDiv3_010148 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCc3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N07 compound treatment 0.092 0.080374 0.4189 0.333 0.31273 1.7379 -0.06 -0.08238 -0.4659 0.9763 0.5285 3030934 ChemDiv3_010149 CCCCN(Cc1ccco1)C(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N08 compound treatment 0.134 0.12237 0.6378 0.114 0.09373 0.5209 0.138 0.11562 0.6539 1.0465 0.9952 3030937 ChemDiv3_010150 COc1ccc(cc1)N2CCN(CC2)C(C(C)NC(=O)c3ccccc3OC)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N09 compound treatment -0.033 -0.044626 -0.2326 -0.153 -0.17327 -0.9629 0.095 0.07262 0.4107 -0.4531 -0.4225 3030939 ChemDiv3_010151 CC1CCCN(C1)C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc4NC(=O)CCc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N10 compound treatment 0.006 -0.0056255 -0.0293 0.124 0.10373 0.5764 0.027 0.0046202 0.0261 0.331 0.5728 3030941 ChemDiv3_010152 CCOC(=O)C(C)(C)Sc1nc(nc2n(C)c(=O)n(C)c(=O)c12)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N11 compound treatment -0.154 -0.16563 -0.8633 -0.145 -0.16527 -0.9184 -0.205 -0.22738 -1.2859 -1.7711 -0.9836 3030943 ChemDiv3_010153 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)Nc4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N12 compound treatment 0.079 0.067374 0.3512 -0.079 -0.09927 -0.5517 0.02 -0.0023798 -0.0135 -0.1235 -0.1888 3120369 ChemDiv3_010154 CCN(CC)S(=O)(=O)c1ccc(NC2N(Cc3ccccc3)C(=O)c4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N13 compound treatment 0.049 0.037374 0.1948 0.0 -0.02027 -0.1126 0.267 0.24462 1.3834 0.8461 0.6037 3120370 ChemDiv3_010155 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NC4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N14 compound treatment -0.034 -0.045626 -0.2378 0.058 0.03773 0.2097 0.113 0.09062 0.5125 0.2796 0.464 1681444 ChemDiv3_010156 Cc1ccc(NC(=O)c2nccnc2C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N15 compound treatment -0.056 -0.067626 -0.3525 -0.039 -0.05927 -0.3294 -0.086 -0.10838 -0.6129 -0.7475 -0.9584 3120371 ChemDiv3_010157 CN(C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N16 compound treatment 0.09 0.078374 0.4085 0.37 0.34973 1.9435 0.043 0.02062 0.1166 1.4253 0.7164 1027433 ChemDiv3_010158 OC(=O)c1ccnc(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N17 compound treatment -0.03 -0.041626 -0.217 0.166 0.14573 0.8098 0.032 0.0096202 0.0544 0.3737 0.4448 3030950 ChemDiv3_010159 COC(CNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N18 compound treatment 0.061 0.049374 0.2574 0.18 0.15973 0.8876 -0.032 -0.05438 -0.3075 0.4835 0.4964 3120372 ChemDiv3_010160 CC1CCN(CC1)c2cc(C)c3c(O)cccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N19 compound treatment 0.027 0.015374 0.0801 0.025 0.00473 0.0263 0.075 0.05262 0.2976 0.2332 0.7541 3031012 ChemDiv3_010161 CC(C)N(Cc1nc(no1)c2cccc(C)c2)C(=O)/C=C/c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N20 compound treatment 0.07 0.058374 0.3043 0.03 0.00973 0.0541 0.089 0.06662 0.3767 0.4244 0.871 3031014 ChemDiv3_010162 CCOC(=O)c1ccc(NC2CCCc3c2[nH]c4ccc(C)cc34)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N21 compound treatment -0.046 -0.057626 -0.3004 -0.043 -0.06327 -0.3516 0.044 0.02162 0.1223 -0.3058 -0.6394 3031016 ChemDiv3_010163 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCC3CCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N22 compound treatment -0.013 -0.024626 -0.1284 -0.031 -0.05127 -0.2849 -0.021 -0.04338 -0.2453 -0.3802 -0.9571 3031018 ChemDiv3_010164 CCn1c(C)c(C2=CCN(CC2)S(=O)(=O)c3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N23 mock treatment 0.106 0.094374 0.4919 0.2 0.17973 0.9988 0.0 -0.02238 -0.1266 0.7876 0.7029 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 N24 mock treatment -0.108 -0.11963 -0.6235 -0.112 -0.13227 -0.735 -0.069 -0.09138 -0.5168 -1.0827 -0.99 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O01 compound treatment 0.0 -0.011626 -0.0606 0.118 0.09773 0.5431 -0.026 -0.04838 -0.2736 0.1206 0.1974 3031020 ChemDiv3_010165 CC(CCc1ccccc1)NC(=O)COc2cc(=O)n(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O02 compound treatment 0.161 0.14937 0.7786 0.099 0.07873 0.4375 0.041 0.01862 0.1053 0.7629 0.8484 3031023 ChemDiv3_010166 CCn1c(=O)cc(SCC(=O)NC2CCCC2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O03 compound treatment 0.105 0.093374 0.4867 0.137 0.11673 0.6487 -0.035 -0.05738 -0.3245 0.4682 0.536 3120373 ChemDiv3_010167 CCN(CC)C(=O)COc1cc(=O)n(CC)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O04 compound treatment -0.091 -0.10263 -0.5349 0.12 0.09973 0.5542 0.882 0.85962 4.8613 2.8178 0.5725 3120374 ChemDiv3_010168 CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O05 compound treatment -0.024 -0.035626 -0.1857 0.108 0.08773 0.4875 0.03 0.0076202 0.0431 0.1991 0.3804 3031029 ChemDiv3_010169 Cn1c(=O)cc(OCCCC(=O)NCC2(CCCC2)c3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O06 compound treatment 0.093 0.081374 0.4241 0.152 0.13173 0.732 -0.006 -0.02838 -0.1605 0.5749 0.6676 3120375 ChemDiv3_010170 Fc1ccc(cc1)c2cc(COCC(=O)NCc3cccs3)no2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O07 compound treatment 0.058 0.046374 0.2417 0.037 0.01673 0.093 0.198 0.17562 0.9932 0.7666 0.7469 3120376 ChemDiv3_010171 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)NC3CCCC(C)C3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O08 compound treatment 0.012 3.7448E-4 0.002 0.017 -0.00327 -0.0182 -0.282 -0.30438 -1.7213 -1.0032 -0.5828 3031033 ChemDiv3_010172 Cc1ccc(cc1)c2cc3C(=O)CC(C)(C)Cc3n2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O09 compound treatment -0.041 -0.052626 -0.2743 0.139 0.11873 0.6598 0.184 0.16162 0.914 0.7503 0.6467 3120377 ChemDiv3_010173 CN(Cc1ccco1)C(=O)C2CCCN2S(=O)(=O)c3cccc4nsnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O10 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 0.072 0.04962 0.2806 0.062 0.201 3031082 ChemDiv3_010174 COc1cccc(c1)c2cc([nH]n2)C(=O)N3CCN(CC3)c4cc(C)ccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O11 compound treatment 0.041 0.029374 0.1531 0.099 0.07873 0.4375 -0.15 -0.17238 -0.9748 -0.2218 -0.2055 3031084 ChemDiv3_010175 O=C([C@H](Cc1ccccc1)N2Cc3ccccc3C2=O)N4CCN(CC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O12 compound treatment -0.098 -0.10963 -0.5714 -0.119 -0.13927 -0.7739 -0.125 -0.14738 -0.8335 -1.2579 -0.9883 3031086 ChemDiv3_010176 CCC(Sc1nnc(c2c[nH]c3ccccc23)n1C)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O13 compound treatment 0.125 0.11337 0.5909 -0.053 -0.07327 -0.4072 -0.019 -0.04138 -0.234 -0.029 -0.0384 3031088 ChemDiv3_010177 O=C(NCc1ccco1)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O14 compound treatment -0.041 -0.052626 -0.2743 -0.058 -0.07827 -0.435 -0.06 -0.08238 -0.4659 -0.6785 -0.9778 3031089 ChemDiv3_010178 CN(C1CCCCC1)C(=O)c2cc3c(Cl)nc4ccccc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O15 compound treatment 0.089 0.077374 0.4033 0.017 -0.00327 -0.0182 0.026 0.0036202 0.0205 0.2342 0.5793 3031092 ChemDiv3_010179 COc1ccc(NC(=O)CCc2c(C)nc3cc(nn3c2C)c4ccc(Cl)cc4)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O16 compound treatment 0.223 0.21137 1.1017 0.72 0.69973 3.8885 0.037 0.01462 0.0827 2.9289 0.7245 3120378 ChemDiv3_010180 Clc1nc2ccccc2c3sc(cc13)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O17 compound treatment 0.03 0.018374 0.0958 0.105 0.08473 0.4709 0.013 -0.0093798 -0.053 0.2965 0.6134 3031095 ChemDiv3_010181 CN(C(=O)CCc1c(C)nc2ncnn2c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O18 compound treatment 0.13 0.11837 0.617 -0.037 -0.05727 -0.3183 0.255 0.23262 1.3155 0.932 0.6266 3120379 ChemDiv3_010182 COc1ccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O19 compound treatment 0.011 -6.2552E-4 -0.0033 0.204 0.18373 1.021 0.205 0.18262 1.0328 1.1839 0.8152 3031097 ChemDiv3_010183 CCOC(=O)C1=C(CNc2cccnc2)NC(=O)NC1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O20 compound treatment -0.071 -0.082626 -0.4307 -0.218 -0.23827 -1.3241 -0.07 -0.09238 -0.5224 -1.3147 -0.8841 3120380 ChemDiv3_010184 Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O21 compound treatment -0.083 -0.094626 -0.4932 -0.065 -0.08527 -0.4739 -0.036 -0.05838 -0.3301 -0.7489 -0.9861 3120381 ChemDiv3_010185 CCn1c(=O)cc(SCC(=O)N(C)Cc2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O22 compound treatment 0.074 0.062374 0.3251 -0.07 -0.09027 -0.5016 0.067 0.04462 0.2523 0.0438 0.0674 3031100 ChemDiv3_010186 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N4CCN(Cc5ccccc5)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O23 mock treatment 0.04 0.028374 0.1479 -0.121 -0.14127 -0.7851 0.006 -0.01638 -0.0926 -0.4213 -0.5239 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 O24 mock treatment -0.19 -0.20163 -1.0509 -0.118 -0.13827 -0.7684 -0.124 -0.14638 -0.8278 -1.5283 -0.9906 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P01 compound treatment 0.007 -0.0046255 -0.0241 -0.026 -0.04627 -0.2571 -0.059 -0.08138 -0.4602 -0.4281 -0.8112 3120382 ChemDiv3_010187 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P02 compound treatment -0.049 -0.060626 -0.316 -0.058 -0.07827 -0.435 0.019 -0.0033798 -0.0191 -0.4446 -0.8264 3120383 ChemDiv3_010188 O=S(=O)(N1CCn2c(C1)nc3ccccc23)c4ccc(cc4)C5CCCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P03 compound treatment -0.051 -0.062626 -0.3264 -0.162 -0.18227 -1.0129 0.14 0.11762 0.6652 -0.3892 -0.3101 3031256 ChemDiv3_010189 CC(C)NC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P04 compound treatment 0.089 0.077374 0.4033 0.0 -0.02027 -0.1126 0.071 0.04862 0.275 0.3266 0.6519 3031258 ChemDiv3_010190 CC1CCC(CC1)NC(=O)c2oc(=O)c3ccccc3c2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P05 compound treatment -0.064 -0.075626 -0.3942 0.183 0.16273 0.9043 0.191 0.16862 0.9536 0.8451 0.6159 3031260 ChemDiv3_010191 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P06 compound treatment 0.0 -0.011626 -0.0606 0.03 0.00973 0.0541 0.067 0.04462 0.2523 0.1419 0.5354 3031261 ChemDiv3_010192 CCC(=O)NC(C)C(N1CCOCC1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P07 compound treatment -0.013 -0.024626 -0.1284 -0.013 -0.03327 -0.1849 -0.018 -0.04038 -0.2284 -0.3127 -0.9752 3031263 ChemDiv3_010193 CCOc1ccc(CCNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P08 compound treatment -0.071 -0.082626 -0.4307 -0.044 -0.06427 -0.3572 0.038 0.01562 0.0883 -0.4038 -0.713 3031266 ChemDiv3_010194 CC(NS(=O)(=O)c1ccc(Cl)cc1)C(N2CCN(C)CC2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P09 compound treatment -0.105 -0.11663 -0.6079 0.051 0.03073 0.1708 0.0 -0.02238 -0.1266 -0.3254 -0.5054 3120384 ChemDiv3_010195 CCc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc4NC(=O)CCc4c3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P10 compound treatment -0.053 -0.064626 -0.3368 0.107 0.08673 0.482 0.315 0.29262 1.6548 1.0392 0.5917 3031270 ChemDiv3_010196 CC1CCN(CC1)C(=O)CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P11 compound treatment -0.06 -0.071626 -0.3733 0.187 0.16673 0.9265 0.242 0.21962 1.242 1.0365 0.6503 3120385 ChemDiv3_010197 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)Nc4ccc(F)c(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P12 compound treatment -0.137 -0.14863 -0.7747 -0.251 -0.27127 -1.5075 0.057 0.03462 0.1958 -1.2046 -0.706 3031337 ChemDiv3_010198 Clc1cccc(c1)C(=O)OC2N(Cc3ccccc3)C(=O)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P13 compound treatment 0.052 0.040374 0.2104 0.127 0.10673 0.5931 -0.082 -0.10438 -0.5903 0.1231 0.1427 3031339 ChemDiv3_010199 CN(C1CCCCC1)C(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P14 compound treatment -0.007 -0.018626 -0.0971 -0.052 -0.07227 -0.4016 0.093 0.07062 0.3994 -0.0573 -0.0998 3031340 ChemDiv3_010200 OC(=O)[C@H](Cc1ccccc1)N2C(=O)c3ccncc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P15 compound treatment -0.071 -0.082626 -0.4307 0.087 0.06673 0.3708 0.086 0.06362 0.3598 0.1732 0.2575 3031342 ChemDiv3_010201 CC(C)CCNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P16 compound treatment 0.088 0.076374 0.3981 0.037 0.01673 0.093 -0.052 -0.07438 -0.4206 0.0407 0.0693 3031345 ChemDiv3_010202 COc1ccc(CNC(=O)OCc2nccnc2C(=O)Nc3ccc(Br)cn3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P17 compound treatment 0.085 0.073374 0.3824 0.108 0.08773 0.4875 -0.108 -0.13038 -0.7373 0.0766 0.0795 3031346 ChemDiv3_010203 Clc1c2CCCCc2nc3cc(ccc13)C(=O)N4CCC(=CC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P18 compound treatment -0.176 -0.18763 -0.9779 -0.05 -0.07027 -0.3905 -0.216 -0.23838 -1.3481 -1.5684 -0.9169 3031348 ChemDiv3_010204 CN(Cc1ccccc1)c2cc(C)c3ccc(O)cc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P19 compound treatment 0.072 0.060374 0.3147 0.006 -0.01427 -0.0793 -0.052 -0.07438 -0.4206 -0.107 -0.2013 3120386 ChemDiv3_010205 Cc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc23)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P20 compound treatment 0.164 0.15237 0.7942 -0.032 -0.05227 -0.2905 0.13 0.10762 0.6086 0.6422 0.6164 3120387 ChemDiv3_010206 CCOC(=O)c1ccc(NC2CCCc3c2n(C)c4ccc(C)cc34)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P21 compound treatment -0.024 -0.035626 -0.1857 -0.064 -0.08427 -0.4683 0.034 0.01162 0.0657 -0.3396 -0.6685 3031355 ChemDiv3_010207 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCc3cccc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P22 compound treatment 0.068 0.056374 0.2938 0.0 -0.02027 -0.1126 0.167 0.14462 0.8179 0.5768 0.6582 3120388 ChemDiv3_010208 Cc1[nH]c2ccccc2c1C3=CCN(CC3)S(=O)(=O)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P23 mock treatment -0.006 -0.017626 -0.0919 -0.037 -0.05727 -0.3183 0.129 0.10662 0.603 0.1113 0.1618 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2029 P24 mock treatment -0.055 -0.066626 -0.3473 -0.027 -0.04727 -0.2627 -0.07 -0.09238 -0.5224 -0.6538 -0.9613 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A01 compound treatment 0.088 0.076374 0.3981 -0.02 -0.04027 -0.2238 -0.087 -0.10938 -0.6186 -0.2565 -0.3336 3031756 ChemDiv3_010209 COc1ccc(Cl)cc1NC(=O)c2cnn(c2C3CCNCC3)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A02 compound treatment -0.05 -0.061626 -0.3212 0.028 0.00773 0.043 -0.093 -0.11538 -0.6525 -0.5374 -0.7376 3120389 ChemDiv3_010210 Cc1ccc(Cl)cc1N2CCN(CCCNC(=O)c3cc4c(C)nc5ccccc5c4o3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A03 compound treatment 0.181 0.16937 0.8828 -0.02 -0.04027 -0.2238 0.151 0.12862 0.7274 0.8004 0.6867 3031821 ChemDiv3_010211 Cc1cccc(NC(=O)c2cnn(c2C3CCN(CC3)C(=O)OC(C)(C)C)c4ccc(F)cc4)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A04 compound treatment 0.032 0.020374 0.1062 0.013 -0.00727 -0.0404 0.127 0.10462 0.5916 0.3796 0.63 3120390 ChemDiv3_010212 COc1ccc(cc1)C2SC[C@@H]3N2C(=S)N(C3=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A05 compound treatment 0.071 0.059374 0.3095 0.525 0.50473 2.8049 0.178 0.15562 0.8801 2.3062 0.7802 3031824 ChemDiv3_010213 O=C(CCc1nc2cccnc2n1c3ccccc3)NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A06 compound treatment 0.19 0.17837 0.9297 0.484 0.46373 2.577 0.019 -0.0033798 -0.0191 2.0136 0.735 3120391 ChemDiv3_010214 COC(=O)c1cc(=O)n(C2CCCCC2)/c(=N/C3CCCCC3)/s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A07 compound treatment -0.112 -0.12363 -0.6444 0.056 0.03573 0.1986 0.163 0.14062 0.7952 0.2017 0.1935 3031828 ChemDiv3_010215 COC(CN(C)C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A08 compound treatment 0.039 0.027374 0.1427 0.308 0.28773 1.599 0.043 0.02062 0.1166 1.0729 0.6666 3120392 ChemDiv3_010216 Fc1ccc(cc1)C2SC[C@@H]3N2C(=O)N(C3=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A09 compound treatment -0.031 -0.042626 -0.2222 -0.032 -0.05227 -0.2905 -0.059 -0.08138 -0.4602 -0.5617 -0.9555 3120393 ChemDiv3_010217 CN(C(=O)CSc1c2CCCCc2nc3cc(Cl)ccc13)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A10 compound treatment 0.013 0.0013745 0.0072 0.006 -0.01427 -0.0793 -0.133 -0.15538 -0.8787 -0.549 -0.6222 3031834 ChemDiv3_010218 FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A11 compound treatment -0.006 -0.017626 -0.0919 0.028 0.00773 0.043 0.046 0.02362 0.1336 0.0489 0.2915 3120394 ChemDiv3_010219 Cc1ccc2oc(=O)c3cnn(CC(=O)NCC4(CCCC4)c5ccccc5)c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A12 compound treatment 0.097 0.085374 0.445 0.0 -0.02027 -0.1126 0.224 0.20162 1.1402 0.8502 0.6917 3031837 ChemDiv3_010220 O=C(Nc1ccc(cc1)c2cn3cccnc3n2)/C=C\c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A13 compound treatment -0.081 -0.092626 -0.4828 -0.034 -0.05427 -0.3016 0.113 0.09062 0.5125 -0.157 -0.205 3120565 ChemDiv3_010221 CC(C)CNc1cc(Cl)c2noc3-c4ccccc4C(=O)c1c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A14 compound treatment -0.11 -0.12163 -0.6339 -0.051 -0.07127 -0.3961 0.066 0.04362 0.2467 -0.4522 -0.5745 3031840 ChemDiv3_010222 C(c1ccccc1)n2cc3c(nnc3c4ccccc24)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A15 compound treatment -0.013 -0.024626 -0.1284 0.046 0.02573 0.143 0.019 -0.0033798 -0.0191 -0.0026 -0.0134 3120566 ChemDiv3_010223 CC1(OC(=O)C[n+]2ccccc21)/C(=N/c3ccc(Cl)cc3)/C(=O)Nc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A16 compound treatment 0.02 0.0083745 0.0436 0.058 0.03773 0.2097 -0.045 -0.06738 -0.381 -0.0737 -0.1687 3120567 ChemDiv3_010224 Cc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c4ccc5n(C)c(=O)oc5c4)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A17 compound treatment -0.02 -0.031626 -0.1648 0.084 0.06373 0.3542 -0.04 -0.06238 -0.3528 -0.0944 -0.1793 3031907 ChemDiv3_010225 Cc1cc(on1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A18 compound treatment 0.019 0.0073745 0.0384 0.15 0.12973 0.7209 0.006 -0.01638 -0.0926 0.3849 0.5289 3031909 ChemDiv3_010226 COc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCCC3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A19 compound treatment -0.101 -0.11263 -0.587 0.174 0.15373 0.8543 0.05 0.02762 0.1562 0.2445 0.2332 3120568 ChemDiv3_010227 Cc1noc(C(=O)N2CCN(CC2)c3cc(Cl)ccc3C)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A20 compound treatment -0.018 -0.029626 -0.1544 0.006 -0.01427 -0.0793 0.031 0.0086202 0.0487 -0.1068 -0.5923 3120569 ChemDiv3_010228 COc1ccccc1C2=NOC(C2)C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A21 compound treatment -0.025 -0.036626 -0.1909 0.037 0.01673 0.093 0.031 0.0086202 0.0487 -0.0284 -0.1303 3031914 ChemDiv3_010229 CCN(C(=O)c1cc2c(C)nc3ccccc3c2o1)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A22 compound treatment 0.013 0.0013745 0.0072 0.128 0.10773 0.5987 0.037 0.01462 0.0827 0.3975 0.6577 3120570 ChemDiv3_010230 CC(C)NC(=O)C1CC(=NO1)c2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A23 mock treatment 0.006 -0.0056255 -0.0293 0.127 0.10673 0.5931 -0.007 -0.02938 -0.1661 0.2296 0.3723 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 A24 mock treatment 0.154 0.14237 0.7421 -0.019 -0.03927 -0.2182 0.007 -0.01538 -0.087 0.2522 0.324 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B01 compound treatment -0.141 -0.15263 -0.7955 -0.021 -0.04127 -0.2293 -0.114 -0.13638 -0.7713 -1.037 -0.9165 3031918 ChemDiv3_010231 COc1cc(Br)cc2cc3c(=O)n(nc3oc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B02 compound treatment -0.027 -0.038626 -0.2013 0.022 0.00173 0.0096 -0.007 -0.02938 -0.1661 -0.2066 -0.791 3120571 ChemDiv3_010232 CCOC(=O)c1ccccc1NC(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B03 compound treatment -0.093 -0.10463 -0.5453 -0.143 -0.16327 -0.9073 -0.007 -0.02938 -0.1661 -0.9346 -0.8722 3120572 ChemDiv3_010233 CCC(C(=O)OC)n1cnc2n(Cc3ccccc3F)nnc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B04 compound treatment -0.068 -0.079626 -0.415 -0.086 -0.10627 -0.5906 0.049 0.02662 0.1505 -0.4937 -0.6695 3030788 ChemDiv3_010234 C1CCN(C1)c2nc3c(nnn3c4ccccc24)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B05 compound treatment 0.133 0.12137 0.6326 0.063 0.04273 0.2375 0.109 0.08662 0.4899 0.7852 0.9408 3120573 ChemDiv3_010235 CCC(C(=O)OC)n1cnc2n(nnc2c1=O)c3cccc(Cl)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B06 compound treatment 0.107 0.095374 0.4971 -0.061 -0.08127 -0.4516 0.118 0.09562 0.5408 0.3385 0.3925 3120574 ChemDiv3_010236 Fc1ccc(Cn2cc(c(=O)c3cc(F)ccc23)S(=O)(=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B07 compound treatment 0.092 0.080374 0.4189 0.007 -0.01327 -0.0737 -0.027 -0.04938 -0.2793 0.0381 0.0748 3030792 ChemDiv3_010237 COc1ccc(CCC(=O)Nc2n[nH]c3nc4cc(OC)ccc4cc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B08 compound treatment 0.053 0.041374 0.2157 0.007 -0.01327 -0.0737 -0.068 -0.09038 -0.5111 -0.2132 -0.3809 3120575 ChemDiv3_010238 Cc1nc2c3ccccc3n4c(CCCC(=O)NCCc5ccc(Cl)cc5)nnc4n2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B09 compound treatment -0.042 -0.053626 -0.2795 -0.196 -0.21627 -1.2018 0.024 0.0016202 0.0092 -0.85 -0.6888 3120576 ChemDiv3_010239 CN(CCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B10 compound treatment -0.055 -0.066626 -0.3473 -0.038 -0.05827 -0.3238 -0.149 -0.17138 -0.9692 -0.947 -0.8775 3030798 ChemDiv3_010240 CCOCC(=O)Nc1c(oc2ccccc12)C(=O)Nc3cccc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B11 compound treatment -0.113 -0.12463 -0.6496 -0.211 -0.23127 -1.2852 -0.103 -0.12538 -0.709 -1.5264 -0.951 3030799 ChemDiv3_010241 Cc1ncoc1C(=O)NCc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B12 compound treatment -0.03 -0.041626 -0.217 -0.087 -0.10727 -0.5961 -0.019 -0.04138 -0.234 -0.6045 -0.8941 3120577 ChemDiv3_010242 CCc1ccc(NC(=O)c2cnn3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B13 compound treatment -0.221 -0.23263 -1.2125 -0.029 -0.04927 -0.2738 -0.027 -0.04938 -0.2793 -1.0193 -0.8001 3120578 ChemDiv3_010243 CCCSc1nnc(Cn2c(=O)sc3ccccc23)n1CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B14 compound treatment -0.06 -0.071626 -0.3733 0.068 0.04773 0.2652 0.135 0.11262 0.6369 0.3053 0.3892 3030805 ChemDiv3_010244 O=C(NCCc1ccsc1)c2cnn3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B15 compound treatment -0.019 -0.030626 -0.1596 0.027 0.00673 0.0374 -0.152 -0.17438 -0.9861 -0.6399 -0.6401 3120579 ChemDiv3_010245 COc1ccc(cc1)c2cc(N)n(n2)S(=O)(=O)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B16 compound treatment -0.054 -0.065626 -0.3421 0.224 0.20373 1.1322 0.483 0.46062 2.6049 1.9601 0.6852 3030869 ChemDiv3_010246 CCOC(=O)N1CCc2c(C1)sc3n(CC(=O)NC(C)CC)c(=O)n(Cc4ccccc4)c(=O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B17 compound treatment 0.146 0.13437 0.7004 0.127 0.10673 0.5931 0.127 0.10462 0.5916 1.0884 0.9967 3120580 ChemDiv3_010247 OC(=O)CSc1c2CCCc2nc3cc(ccc13)C(=O)NCC4COc5ccccc5O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B18 compound treatment 0.089 0.077374 0.4033 0.155 0.13473 0.7487 0.206 0.18362 1.0384 1.2646 0.9422 3030873 ChemDiv3_010248 CC(C)NC(=O)Cn1nc(Cc2ccncc2)c3ccccc3c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B19 compound treatment -0.006 -0.017626 -0.0919 0.15 0.12973 0.7209 -0.042 -0.06438 -0.3641 0.153 0.1882 3120581 ChemDiv3_010249 COc1ccc2[nH]c3c(=O)n(CCCCC(=O)NCc4ccccc4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B20 compound treatment 0.235 0.22337 1.1643 -0.049 -0.06927 -0.3849 0.106 0.08362 0.4729 0.723 0.5501 3120582 ChemDiv3_010250 CCOC(=O)N1CCC(CC1)NC(=O)Cn2nc(Cc3cccnc3)c4ccccc4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B21 compound treatment 0.113 0.10137 0.5284 -0.074 -0.09427 -0.5239 0.062 0.03962 0.2241 0.132 0.1698 3030877 ChemDiv3_010251 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B22 compound treatment 0.0 -0.011626 -0.0606 0.13 0.10973 0.6098 0.0 -0.02238 -0.1266 0.244 0.39 3120583 ChemDiv3_010252 O=C(NCc1ccccc1)c2ccc3SCCN(Cc4ccccc4)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B23 mock treatment 0.112 0.10037 0.5232 -0.233 -0.25327 -1.4075 -0.026 -0.04838 -0.2736 -0.6685 -0.438 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 B24 mock treatment 0.034 0.022374 0.1166 -0.04 -0.06027 -0.3349 0.013 -0.0093798 -0.053 -0.1567 -0.4369 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C01 compound treatment -0.12 -0.13163 -0.6861 -0.086 -0.10627 -0.5906 0.09 0.06762 0.3824 -0.5163 -0.5254 3030880 ChemDiv3_010253 Nc1cccnc1NCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C02 compound treatment 0.02 0.0083745 0.0436 -0.072 -0.09227 -0.5128 0.025 0.0026202 0.0148 -0.2623 -0.5095 3120584 ChemDiv3_010254 Fc1ccc(Cn2c(=O)cc([nH]c2=O)N3CCc4ccccc4C3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C03 compound treatment 0.018 0.0063745 0.0332 0.114 0.09373 0.5209 -0.056 -0.07838 -0.4433 0.064 0.0935 3030886 ChemDiv3_010255 CCOC(=O)N1CCC(CC1)c2nc(C)sc2C(=O)NCc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C04 compound treatment 0.139 0.12737 0.6639 -0.04 -0.06027 -0.3349 -0.065 -0.08738 -0.4941 -0.0954 -0.1068 3030954 ChemDiv3_010256 COC(=O)c1cc(=O)n(C)/c(=N/c2ccc(F)cc2)/s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C05 compound treatment 0.094 0.082374 0.4294 0.047 0.02673 0.1485 0.08 0.05762 0.3259 0.5218 0.9333 3120585 ChemDiv3_010257 O=C(CCc1nc2cccnc2n1c3ccccc3)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C06 compound treatment -0.049 -0.060626 -0.316 0.006 -0.01427 -0.0793 -0.07 -0.09238 -0.5224 -0.5298 -0.8606 3030958 ChemDiv3_010258 C=CCN1C(CC(=O)Nc2ccccc2)C(=O)N(C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C07 compound treatment 0.101 0.089374 0.4658 0.093 0.07273 0.4042 0.124 0.10162 0.5747 0.8341 0.9895 3120586 ChemDiv3_010259 CN1CC(=O)N=C1NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C08 compound treatment 0.0 -0.011626 -0.0606 0.025 0.00473 0.0263 -0.095 -0.11738 -0.6638 -0.4031 -0.6042 3120587 ChemDiv3_010260 COC(=O)c1ccc(NC(=O)CC2N(C3CCCC3)C(=O)N(C2=O)c4ccc(F)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C09 compound treatment -0.006 -0.017626 -0.0919 -0.192 -0.21227 -1.1796 -0.087 -0.10938 -0.6186 -1.0912 -0.8173 3030965 ChemDiv3_010261 COc1ccc(CCNC(=O)CSc2c3CCCCc3nc4cc(Cl)ccc24)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C10 compound treatment -0.006 -0.017626 -0.0919 -0.069 -0.08927 -0.4961 0.139 0.11662 0.6595 0.0413 0.0498 3120588 ChemDiv3_010262 O=C(CSCc1ccccc1)Nc2cccc(c2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C11 compound treatment 0.011 -6.2552E-4 -0.0033 -0.024 -0.04427 -0.246 -0.051 -0.07338 -0.415 -0.3835 -0.7949 3120589 ChemDiv3_010263 Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCN(Cc5ccccc5)CC4)c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C12 compound treatment -0.071 -0.082626 -0.4307 -0.043 -0.06327 -0.3516 0.0 -0.02238 -0.1266 -0.5247 -0.9202 3030968 ChemDiv3_010264 O=C(Cc1ccccc1)Nc2ccc(cc2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C13 compound treatment -0.045 -0.056626 -0.2951 -0.108 -0.12827 -0.7128 -0.006 -0.02838 -0.1605 -0.6746 -0.8561 3120590 ChemDiv3_010265 CC(C)Nc1cc(Br)c2noc3-c4ccccc4C(=O)c1c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C14 compound treatment 0.026 0.014374 0.0749 -0.095 -0.11527 -0.6406 0.044 0.02162 0.1223 -0.256 -0.39 3120591 ChemDiv3_010266 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)N3CCn4c3nc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C15 compound treatment -0.036 -0.047626 -0.2482 0.0 -0.02027 -0.1126 0.096 0.07362 0.4163 0.032 0.0643 3031039 ChemDiv3_010267 O=C(Nc1ccccc1)C2N(C(=O)C[n+]3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C16 compound treatment 0.041 0.029374 0.1531 -0.042 -0.06227 -0.346 0.078 0.05562 0.3145 0.0702 0.1427 3120755 ChemDiv3_010268 Cn1c(=O)n(C)c2ccc(cc2c1=O)S(=O)(=O)NCCC(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C17 compound treatment 0.074 0.062374 0.3251 0.13 0.10973 0.6098 0.133 0.11062 0.6256 0.9009 0.9665 3031045 ChemDiv3_010269 Cc1cc(on1)C(=O)NCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C18 compound treatment -0.141 -0.15263 -0.7955 -0.034 -0.05427 -0.3016 -0.056 -0.07838 -0.4433 -0.8893 -0.927 3120756 ChemDiv3_010270 COc1ccc(cc1)C2=NOC(C2)C(=O)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C19 compound treatment 0.121 0.10937 0.5701 -0.071 -0.09127 -0.5072 0.078 0.05562 0.3145 0.2179 0.264 3120757 ChemDiv3_010271 CC(C)c1ccc(cc1)N(CC(=O)N2CCCC2)S(=O)(=O)c3c(C)nn(C)c3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C20 compound treatment 0.018 0.0063745 0.0332 -0.112 -0.13227 -0.735 -0.019 -0.04138 -0.234 -0.5403 -0.6998 3031051 ChemDiv3_010272 Fc1ccc(cc1)C2=NOC(C2)C(=O)Nc3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C21 compound treatment 0.085 0.073374 0.3824 -0.163 -0.18327 -1.0185 0.006 -0.01638 -0.0926 -0.4207 -0.3853 3032301 ChemDiv3_010273 CCOc1ccc(CCNC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C22 compound treatment -0.052 -0.063626 -0.3316 -0.03 -0.05027 -0.2794 0.103 0.08062 0.4559 -0.0895 -0.1423 3032302 ChemDiv3_010274 Fc1ccccc1C2=NOC(C2)C(=O)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C23 mock treatment -0.023 -0.034626 -0.1805 0.025 0.00473 0.0263 -0.096 -0.11838 -0.6695 -0.4755 -0.6853 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 C24 mock treatment 0.047 0.035374 0.1844 0.148 0.12773 0.7098 0.051 0.02862 0.1619 0.6097 0.8118 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D01 compound treatment -0.027 -0.038626 -0.2013 -0.026 -0.04627 -0.2571 -0.014 -0.03638 -0.2057 -0.3835 -0.9935 3032303 ChemDiv3_010275 CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1c3ccc(SC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D02 compound treatment -0.093 -0.10463 -0.5453 -0.006 -0.02627 -0.146 -0.07 -0.09238 -0.5224 -0.7008 -0.9111 3032304 ChemDiv3_010276 Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D03 compound treatment -0.157 -0.16863 -0.8789 0.061 0.04073 0.2263 0.122 0.09962 0.5634 -0.0515 -0.0482 3032305 ChemDiv3_010277 Clc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCc5ccccc45)cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D04 compound treatment 0.018 0.0063745 0.0332 -0.04 -0.06027 -0.3349 0.04 0.01762 0.0996 -0.1167 -0.3323 3120758 ChemDiv3_010278 NS(=O)(=O)c1ccc(CCNc2nc3c(nnn3c4ccccc24)c5ccc(Cl)cc5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D05 compound treatment -0.006 -0.017626 -0.0919 0.126 0.10573 0.5876 0.0 -0.02238 -0.1266 0.2131 0.3505 3032306 ChemDiv3_010279 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D06 compound treatment 0.084 0.072374 0.3772 0.013 -0.00727 -0.0404 -0.042 -0.06438 -0.3641 -0.0157 -0.0299 3032307 ChemDiv3_010280 CSc1nc(nc2Oc3ccccc3Cc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D07 compound treatment 0.085 0.073374 0.3824 0.106 0.08573 0.4764 -0.046 -0.06838 -0.3867 0.2726 0.377 3120759 ChemDiv3_010281 Clc1c2CCCc2nc3cc(ccc13)C(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D08 compound treatment -0.017 -0.028626 -0.1492 0.099 0.07873 0.4375 -0.045 -0.06738 -0.381 -0.0535 -0.0894 3120760 ChemDiv3_010282 Cc1nc2c3ccccc3n4c(CCCC(=O)NCc5ccc(C)cc5)nnc4n2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D09 compound treatment -0.07 -0.081626 -0.4255 0.062 0.04173 0.2319 -0.045 -0.06738 -0.381 -0.3317 -0.5382 3032308 ChemDiv3_010283 CC1CCCCC1NC(=O)Cn2ncc3c(=O)oc4ccccc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D10 compound treatment 0.029 0.017374 0.0906 0.134 0.11373 0.632 0.107 0.08462 0.4785 0.6935 0.8691 3120761 ChemDiv3_010284 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D11 compound treatment 0.209 0.19737 1.0288 0.045 0.02473 0.1374 0.07 0.04762 0.2693 0.8288 0.7729 3032309 ChemDiv3_010285 Cc1ncoc1C(=O)NCCC(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D12 compound treatment 0.088 0.076374 0.3981 -0.039 -0.05927 -0.3294 0.026 0.0036202 0.0205 0.0515 0.0996 3120762 ChemDiv3_010286 CCOC(=O)N1CCN(CC1)C(=O)c2cnn3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D13 compound treatment 0.0 -0.011626 -0.0606 -0.026 -0.04627 -0.2571 0.026 0.0036202 0.0205 -0.1716 -0.6477 3120763 ChemDiv3_010287 CSc1nnc(Cn2c(=O)sc3ccccc23)n1c4ccccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D14 compound treatment -0.013 -0.024626 -0.1284 -0.029 -0.04927 -0.2738 -0.054 -0.07638 -0.4319 -0.4816 -0.9133 3032310 ChemDiv3_010288 O=C(NCC1CCN(C1)C2CCCC2)c3cnn4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D15 compound treatment -0.247 -0.25863 -1.348 0.104 0.08373 0.4653 0.041 0.01862 0.1053 -0.4488 -0.3139 3120764 ChemDiv3_010289 CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D16 compound treatment -0.066 -0.077626 -0.4046 -0.061 -0.08127 -0.4516 0.006 -0.01638 -0.0926 -0.5478 -0.8931 3032311 ChemDiv3_010290 Cc1nc2c3ccccc3n(CC(=O)c4ccc(Br)cc4)c(=O)n2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D17 compound treatment -0.115 -0.12663 -0.66 0.028 0.00773 0.043 0.052 0.02962 0.1675 -0.2595 -0.3804 3120765 ChemDiv3_010291 CC1CC(C)CN(CCCNC(=O)c2ccc3c(SCC(=O)O)c4CCCc4nc3c2)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D18 compound treatment 0.0 -0.011626 -0.0606 0.121 0.10073 0.5598 0.204 0.18162 1.0271 0.8812 0.7523 3120766 ChemDiv3_010292 CN(C(=O)Cn1nc(Cc2ccncc2)c3ccccc3c1=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D19 compound treatment 0.058 0.046374 0.2417 0.116 0.09573 0.532 0.289 0.26662 1.5078 1.3172 0.8146 3032312 ChemDiv3_010293 COc1ccc2[nH]c3c(=O)n(CC(=O)NCCc4ccc(OC)c(OC)c4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D20 compound treatment 0.12 0.10837 0.5649 -0.063 -0.08327 -0.4627 0.17 0.14762 0.8348 0.5409 0.4877 3120767 ChemDiv3_010294 CN(Cc1ccccc1)C(=O)C2CCCN2S(=O)(=O)c3ccc4n(C)c(=O)c(=O)n(C)c4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D21 compound treatment -0.246 -0.25763 -1.3428 -0.07 -0.09027 -0.5016 -0.115 -0.13738 -0.7769 -1.5134 -0.9282 3120768 ChemDiv3_010295 Cn1cccc1Cc2nnc(SCC(=O)NC3CCCCC3)n2CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D22 compound treatment 0.031 0.019374 0.101 0.133 0.11273 0.6265 0.069 0.04662 0.2636 0.5722 0.8327 3032313 ChemDiv3_010296 O=C(NC1CC1)c2ccc3SCCN(Cc4ccccc4)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D23 mock treatment -0.063 -0.074626 -0.389 0.03 0.00973 0.0541 0.0 -0.02238 -0.1266 -0.2664 -0.6457 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 D24 mock treatment -0.041 -0.052626 -0.2743 -0.069 -0.08927 -0.4961 -0.006 -0.02838 -0.1605 -0.5374 -0.9122 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E01 compound treatment 0.353 0.34137 1.7793 0.123 0.10273 0.5709 -0.183 -0.20538 -1.1615 0.6863 0.3119 3120769 ChemDiv3_010297 Cc1cc(C)c2c(nn3c(C)c(CCC(=O)O)c(C)nc23)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E02 compound treatment 0.026 0.014374 0.0749 0.223 0.20273 1.1266 -0.103 -0.12538 -0.709 0.2843 0.2133 3032314 ChemDiv3_010298 CC1CN(CC(C)O1)c2cc(=O)n(c3ccc(Cl)cc3)c(=O)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E03 compound treatment 0.242 0.23037 1.2008 0.041 0.02073 0.1152 0.226 0.20362 1.1515 1.4246 0.8543 3120770 ChemDiv3_010299 CCOC(=O)c1cnn(c1C2CCN(CC2)C(=O)OC(C)(C)C)c3ccc(cc3)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E04 compound treatment 0.013 0.0013745 0.0072 -0.019 -0.03927 -0.2182 -0.038 -0.06038 -0.3415 -0.319 -0.7871 3120771 ChemDiv3_010300 COc1ccc(NC(=O)CC2N(C(C)C)C(=O)N(C2=O)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E05 compound treatment -0.157 -0.16863 -0.8789 -0.142 -0.16227 -0.9018 0.073 0.05062 0.2863 -0.8628 -0.6681 3032315 ChemDiv3_010301 O=C(CCc1nc2cccnc2n1c3ccccc3)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E06 compound treatment 0.075 0.063374 0.3303 -0.037 -0.05727 -0.3183 -0.064 -0.08638 -0.4885 -0.2751 -0.4105 3120772 ChemDiv3_010302 CCOC(=O)c1ccc(NC(=O)CC2N(Cc3cccs3)C(=O)N(C2=O)c4ccc(F)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E07 compound treatment 0.027 0.015374 0.0801 0.085 0.06473 0.3597 0.193 0.17062 0.9649 0.811 0.7852 3032316 ChemDiv3_010303 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3cc4c(Cl)nc5ccc(C)cc5c4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E08 compound treatment 0.12 0.10837 0.5649 -0.018 -0.03827 -0.2127 -0.136 -0.15838 -0.8957 -0.3138 -0.2905 3120773 ChemDiv3_010304 CCOc1ccc(cc1)c2cc(CCCC(=O)Nc3ccc(CC)cc3)no2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E09 compound treatment -0.074 -0.085626 -0.4463 -0.041 -0.06127 -0.3405 -0.067 -0.08938 -0.5055 -0.7461 -0.9877 3032317 ChemDiv3_010305 CN(Cc1ccccc1)C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E10 compound treatment -0.082 -0.093626 -0.488 -0.025 -0.04527 -0.2516 0.043 0.02062 0.1166 -0.3597 -0.6408 3120774 ChemDiv3_010306 Cc1ccc(cc1NC(=O)CC(C)(C)C)c2cn3cccnc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E11 compound treatment -0.135 -0.14663 -0.7642 -0.088 -0.10827 -0.6017 -0.081 -0.10338 -0.5846 -1.1262 -0.9923 3120775 ChemDiv3_010307 Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cccnc4)c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E12 compound treatment -0.083 -0.094626 -0.4932 -0.056 -0.07627 -0.4238 -0.051 -0.07338 -0.415 -0.769 -0.9969 3032318 ChemDiv3_010308 Cc1c(nc2ncccn12)c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E13 compound treatment -0.076 -0.087626 -0.4567 0.142 0.12173 0.6765 0.156 0.13362 0.7556 0.5631 0.5063 3120776 ChemDiv3_010309 CC(C)CNc1cc(NCCO)c2C(=O)c3ccccc3-c4onc1c42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E14 compound treatment 0.082 0.070374 0.3668 0.112 0.09173 0.5098 -0.014 -0.03638 -0.2057 0.3873 0.5861 3120777 ChemDiv3_010310 COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E15 compound treatment 0.0 -0.011626 -0.0606 0.122 0.10173 0.5653 0.082 0.05962 0.3372 0.4861 0.7353 3032319 ChemDiv3_010311 Cc1cccc(C)c1/N=C/2\Oc3ccccc3NC2(C)c4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E16 compound treatment 0.0 -0.011626 -0.0606 -0.006 -0.02627 -0.146 -0.033 -0.05538 -0.3132 -0.3001 -0.8554 3120778 ChemDiv3_010312 CC1CCCN(C1)C(=O)CCNS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E17 compound treatment 0.074 0.062374 0.3251 0.165 0.14473 0.8043 0.099 0.07662 0.4333 0.9022 0.9304 3032320 ChemDiv3_010313 Cc1cc(on1)C(=O)NC(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E18 compound treatment 0.01 -0.0016255 -0.0085 -0.082 -0.10227 -0.5683 0.081 0.05862 0.3315 -0.1416 -0.2152 3032321 ChemDiv3_010314 COc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E19 compound treatment 0.06 0.048374 0.2521 0.048 0.02773 0.1541 0.496 0.47362 2.6784 1.7809 0.6609 3120779 ChemDiv3_010315 O=C(Nc1ccc(Cc2ccncc2)cc1)c3cc4ccccn4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E20 compound treatment -0.024 -0.035626 -0.1857 -0.057 -0.07727 -0.4294 -0.02 -0.04238 -0.2397 -0.4935 -0.9388 3120780 ChemDiv3_010316 Fc1ccc(cc1)C2=NOC(C2)C(=O)NCC3CCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E21 compound treatment -0.034 -0.045626 -0.2378 0.069 0.04873 0.2708 0.046 0.02362 0.1336 0.0962 0.2502 3032322 ChemDiv3_010317 CCc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E22 compound treatment 0.033 0.021374 0.1114 0.018 -0.00227 -0.0126 0.066 0.04362 0.2467 0.1995 0.7361 3120781 ChemDiv3_010318 CN(C(=O)C1CC(=NO1)c2ccccc2F)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E23 mock treatment 0.096 0.084374 0.4398 0.1 0.07973 0.4431 0.026 0.0036202 0.0205 0.5215 0.835 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 E24 mock treatment -0.065 -0.076626 -0.3994 0.006 -0.01427 -0.0793 -0.061 -0.08338 -0.4715 -0.5486 -0.8806 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F01 compound treatment -0.074 -0.085626 -0.4463 0.043 0.02273 0.1263 0.075 0.05262 0.2976 -0.0129 -0.0235 3120961 ChemDiv3_010319 CCc1ccc(NC(=O)Cn2cc(c(=O)c3ccccc23)S(=O)(=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F02 compound treatment 0.007 -0.0046255 -0.0241 0.131 0.11073 0.6153 -0.062 -0.08438 -0.4772 0.0658 0.0845 3032323 ChemDiv3_010320 CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F03 compound treatment -0.045 -0.056626 -0.2951 0.026 0.00573 0.0318 0.076 0.05362 0.3032 0.0231 0.0543 3120962 ChemDiv3_010321 Clc1ccc(Cn2nnc3c(=O)n(CC(=O)NC4CCCCC4)cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F04 compound treatment -0.007 -0.018626 -0.0971 0.289 0.26873 1.4934 -0.105 -0.12738 -0.7204 0.3903 0.235 3032324 ChemDiv3_010322 CC(=O)NCCNc1nc2c(nnn2c3ccccc13)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F05 compound treatment 0.079 0.067374 0.3512 0.104 0.08373 0.4653 0.046 0.02362 0.1336 0.5485 0.9172 3120963 ChemDiv3_010323 COc1cccc(c1)n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F06 compound treatment 0.0 -0.011626 -0.0606 0.247 0.22673 1.26 -0.026 -0.04838 -0.2736 0.5345 0.4141 3120964 ChemDiv3_010324 O=C(CSc1nc(nc2Oc3ccccc3Cc12)c4ccccc4)Nc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F07 compound treatment -0.018 -0.029626 -0.1544 0.231 0.21073 1.1711 -0.014 -0.03638 -0.2057 0.4682 0.3905 3032325 ChemDiv3_010325 CCN(CC)S(=O)(=O)c1ccc(Nc2c3CCCCc3nc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F08 compound treatment -0.182 -0.19363 -1.0092 0.118 0.09773 0.5431 0.068 0.04562 0.258 -0.1202 -0.1023 3120965 ChemDiv3_010326 OC(=O)CCCc1nnc2n3nc(nc3c4ccccc4n12)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F09 compound treatment 0.039 0.027374 0.1427 0.007 -0.01327 -0.0737 0.147 0.12462 0.7048 0.4467 0.618 3120966 ChemDiv3_010327 CC(C)N(C1CCCCC1)C(=O)Cn2ncc3c(=O)oc4ccccc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F10 compound treatment -0.13 -0.14163 -0.7382 0.073 0.05273 0.293 -0.183 -0.20538 -1.1615 -0.9276 -0.6592 3032326 ChemDiv3_010328 Cc1cccc(OCC(=O)Nc2c(oc3ccccc23)C(=O)Nc4cccc(F)c4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F11 compound treatment -0.04 -0.051626 -0.2691 -0.047 -0.06727 -0.3738 -0.106 -0.12838 -0.726 -0.7903 -0.9192 3120967 ChemDiv3_010329 Cc1ncoc1C(=O)Nc2ccccc2F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F12 compound treatment 0.011 -6.2552E-4 -0.0033 -0.03 -0.05027 -0.2794 -0.046 -0.06838 -0.3867 -0.3864 -0.81 3032327 ChemDiv3_010330 O=C(N1CCc2ccccc12)c3cnn4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F13 compound treatment -0.039 -0.050626 -0.2639 -0.035 -0.05527 -0.3071 -0.027 -0.04938 -0.2793 -0.4909 -0.998 3120968 ChemDiv3_010331 Clc1cccc(c1)n2c(Cn3c(=O)sc4ccccc34)nnc2SCc5ccccn5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F14 compound treatment -0.04 -0.051626 -0.2691 0.104 0.08373 0.4653 0.158 0.13562 0.767 0.5561 0.5938 3120969 ChemDiv3_010332 CCOC(=O)c1cnn(CCOC(=O)c2ccccc2F)c1NC(=O)c3ccccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F15 compound treatment 0.031 0.019374 0.101 0.034 0.01373 0.0763 0.05 0.02762 0.1562 0.1925 0.9577 3032328 ChemDiv3_010333 CCC(C)NC(=O)c1ccc2c(Cl)c3CCCc3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F16 compound treatment -0.02 -0.031626 -0.1648 0.063 0.04273 0.2375 0.474 0.45162 2.554 1.5165 0.59 3120970 ChemDiv3_010334 COc1ccccc1NC(=O)Cn2c(=O)n3nc(C)nc3c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F17 compound treatment 0.131 0.11937 0.6222 0.199 0.17873 0.9932 0.058 0.03562 0.2014 1.049 0.8821 3032329 ChemDiv3_010335 CCN(C(=O)c1ccc2c(SCC(=O)O)c3CCCc3nc2c1)c4cc(Cl)ccc4OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F18 compound treatment -0.109 -0.12063 -0.6287 -0.033 -0.05327 -0.296 0.188 0.16562 0.9366 0.0068 0.0059 3120971 ChemDiv3_010336 COC(CNC(=O)Cn1nc(Cc2ccncc2)c3ccccc3c1=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F19 compound treatment -0.056 -0.067626 -0.3525 0.067 0.04673 0.2597 0.163 0.14062 0.7952 0.4056 0.4468 3120972 ChemDiv3_010337 COc1ccc2[nH]c3c(=O)n(CC(=O)NC4CCCCCC4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F20 compound treatment -0.024 -0.035626 -0.1857 0.133 0.11273 0.6265 -0.08 -0.10238 -0.579 -0.0798 -0.0914 3032330 ChemDiv3_010338 CN(C)/C=C/c1onc(C)c1S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F21 compound treatment 0.146 0.13437 0.7004 0.0 -0.02027 -0.1126 0.352 0.32962 1.8641 1.4156 0.7097 3120973 ChemDiv3_010339 Cn1cccc1Cc2nnc(SCC(=O)NCc3ccco3)n2CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F22 compound treatment -0.086 -0.097626 -0.5088 -0.068 -0.08827 -0.4905 0.084 0.06162 0.3485 -0.3758 -0.4769 3032331 ChemDiv3_010340 CC(C)CCNC(=O)c1ccc2SCCN(Cc3ccccc3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F23 mock treatment 0.173 0.16137 0.8411 0.018 -0.00227 -0.0126 -0.006 -0.02838 -0.1605 0.3857 0.4504 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 F24 mock treatment 0.083 0.071374 0.372 -0.127 -0.14727 -0.8184 -0.013 -0.03538 -0.2001 -0.3732 -0.4053 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G01 compound treatment -0.027 -0.038626 -0.2013 -0.095 -0.11527 -0.6406 0.129 0.10662 0.603 -0.138 -0.1529 3120974 ChemDiv3_010341 CN(Cc1ccccc1)C(=O)CCc2nc3cccnc3n2Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G02 compound treatment 0.099 0.087374 0.4554 0.129 0.10873 0.6042 0.231 0.20862 1.1798 1.2929 0.9225 3120975 ChemDiv3_010342 Clc1ccc(cc1)n2c(=O)cc([nH]c2=O)N3CCN(CC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G03 compound treatment -0.041 -0.052626 -0.2743 0.11 0.08973 0.4986 0.088 0.06562 0.3711 0.3438 0.506 3032332 ChemDiv3_010343 NCc1ccc2cc[nH]c(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G04 compound treatment 0.104 0.092374 0.4815 0.018 -0.00227 -0.0126 0.074 0.05162 0.2919 0.4392 0.7799 3120976 ChemDiv3_010344 CCNC(=O)CC1N(CCOC)C(=O)N(C1=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G05 compound treatment 0.159 0.14737 0.7682 -0.096 -0.11627 -0.6461 0.058 0.03562 0.2014 0.1867 0.1824 3032333 ChemDiv3_010345 O=C(CCc1nc2cccnc2n1c3ccccc3)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G06 compound treatment 0.411 0.39937 2.0816 -0.046 -0.06627 -0.3683 -0.09 -0.11238 -0.6355 0.6223 0.2819 3120977 ChemDiv3_010346 COC(=O)c1cc(=O)n(CCc2ccccc2)/c(=N/CCc3ccccc3)/s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G07 compound treatment 0.108 0.096374 0.5023 0.025 0.00473 0.0263 0.094 0.07162 0.405 0.539 0.8347 3032334 ChemDiv3_010347 CN1CCN(CCNC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G08 compound treatment 0.031 0.019374 0.101 0.09 0.06973 0.3875 -0.101 -0.12338 -0.6977 -0.1208 -0.1502 3032480 ChemDiv3_010348 CCOc1ccc(cc1)c2cc(CCCC(=O)NCCc3ccccc3)no2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G09 compound treatment 0.109 0.097374 0.5075 0.159 0.13873 0.7709 0.068 0.04562 0.258 0.8871 0.9256 3032481 ChemDiv3_010349 CC1CCCCN1C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G10 compound treatment 0.108 0.096374 0.5023 -0.083 -0.10327 -0.5739 -0.06 -0.08238 -0.4659 -0.3103 -0.3472 3032483 ChemDiv3_010350 CCCC(CCC)C(=O)Nc1cc(ccc1C)c2cn3cccnc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G11 compound treatment -0.065 -0.076626 -0.3994 -0.093 -0.11327 -0.6295 -0.025 -0.04738 -0.2679 -0.7487 -0.9451 3032484 ChemDiv3_010351 CCCN(CCC)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G12 compound treatment -0.111 -0.12263 -0.6392 -0.072 -0.09227 -0.5128 -0.144 -0.16638 -0.9409 -1.2083 -0.9684 3032486 ChemDiv3_010352 Clc1ccc(NC(=O)Nc2cccc(c2)c3cn4cccnc4n3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G13 compound treatment 0.032 0.020374 0.1062 0.108 0.08773 0.4875 -0.081 -0.10338 -0.5846 0.0053 0.0068 3032542 ChemDiv3_010353 CN1C(C(=O)Nc2ccccc2)c3cccc[n+]3CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G14 compound treatment 0.147 0.13537 0.7056 0.0 -0.02027 -0.1126 -0.007 -0.02938 -0.1661 0.2464 0.3359 3032543 ChemDiv3_010354 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc3nc4ccc(Cl)cc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G15 compound treatment -0.109 -0.12063 -0.6287 0.024 0.00373 0.0207 0.026 0.0036202 0.0205 -0.3392 -0.5389 3032545 ChemDiv3_010355 C/C(=C\C(=N\c1ccccc1O)\c2ccccn2)/c3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G16 compound treatment 0.281 0.26937 1.404 -0.04 -0.06027 -0.3349 0.072 0.04962 0.2806 0.7793 0.5299 3032546 ChemDiv3_010356 Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G17 compound treatment 0.047 0.035374 0.1844 0.135 0.11473 0.6376 0.049 0.02662 0.1505 0.5615 0.825 3032549 ChemDiv3_010357 COc1ccc(CCNC(=O)c2cc(C)no2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G18 compound treatment -0.085 -0.096626 -0.5036 0.065 0.04473 0.2486 0.031 0.0086202 0.0487 -0.1191 -0.2113 3032550 ChemDiv3_010358 CCCNC(=O)C1CC(=NO1)c2ccc(OC)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G19 compound treatment -0.028 -0.039626 -0.2065 0.19 0.16973 0.9432 0.343 0.32062 1.8132 1.4722 0.7166 3032552 ChemDiv3_010359 Clc1ccccc1CNC(=O)c2cc3ccccn3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G20 compound treatment -0.02 -0.031626 -0.1648 -0.032 -0.05227 -0.2905 0.085 0.06262 0.3541 -0.0584 -0.12 3120978 ChemDiv3_010360 CC1CCCC(C)N1C(=O)C2CC(=NO2)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G21 compound treatment 0.078 0.066374 0.346 0.058 0.03773 0.2097 0.048 0.02562 0.1449 0.4044 0.9412 3032553 ChemDiv3_010361 Cc1nc2ccccc2c3oc(cc13)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G22 compound treatment -0.151 -0.16263 -0.8476 0.018 -0.00227 -0.0126 0.04 0.01762 0.0996 -0.4391 -0.5145 3120979 ChemDiv3_010362 Fc1ccccc1C2=NOC(C2)C(=O)NCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G23 mock treatment 0.112 0.10037 0.5232 0.125 0.10473 0.582 -0.069 -0.09138 -0.5168 0.3397 0.3622 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 G24 mock treatment 0.154 0.14237 0.7421 0.11 0.08973 0.4986 0.138 0.11562 0.6539 1.0938 0.9875 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H01 compound treatment -0.05 -0.061626 -0.3212 0.126 0.10573 0.5876 0.025 0.0026202 0.0148 0.1623 0.2424 3120980 ChemDiv3_010363 Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N)cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H02 compound treatment 0.194 0.18237 0.9506 0.324 0.30373 1.6879 -0.058 -0.08038 -0.4546 1.2609 0.6337 3032556 ChemDiv3_010364 CCc1nn2c(=O)cc(COc3ccc(/C=C\4/C(=N)N5C=CSC5=NC4=O)cc3OC)nc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H03 compound treatment 0.032 0.020374 0.1062 0.236 0.21573 1.1988 -0.032 -0.05438 -0.3075 0.5759 0.4636 3120981 ChemDiv3_010365 COC(=O)Cn1cnc2n(Cc3ccc(Cl)cc3)nnc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H04 compound treatment -0.081 -0.092626 -0.4828 -0.052 -0.07227 -0.4016 0.03 0.0076202 0.0431 -0.4857 -0.7716 3120982 ChemDiv3_010366 CNc1nc2c(nnn2c3ccccc13)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H05 compound treatment -0.062 -0.073626 -0.3838 0.054 0.03373 0.1874 0.0 -0.02238 -0.1266 -0.1864 -0.4185 3032558 ChemDiv3_010367 COc1ccc(cc1)n2nnc3c(=O)n(Cc4cccc(c4)C(F)(F)F)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H06 compound treatment 0.02 0.0083745 0.0436 0.153 0.13273 0.7376 -0.012 -0.03438 -0.1944 0.3388 0.4434 3120983 ChemDiv3_010368 CCOc1cccc2Cc3c(SCC(=O)N(CC)CC)nc(nc3Oc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H07 compound treatment 0.102 0.090374 0.4711 0.233 0.21273 1.1822 -0.051 -0.07338 -0.415 0.7149 0.5341 3032561 ChemDiv3_010369 Cc1ccc2cc3c(N)nn(C(=O)c4ccccc4F)c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H08 compound treatment 0.22 0.20837 1.0861 0.446 0.42573 2.3659 0.168 0.14562 0.8235 2.4684 0.9041 3120984 ChemDiv3_010370 O=C(NCc1ccccc1)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H09 compound treatment -0.062 -0.073626 -0.3838 -0.026 -0.04627 -0.2571 0.049 0.02662 0.1505 -0.2831 -0.5827 3120985 ChemDiv3_010371 COC(CNC(=O)Cn1ncc2c(=O)oc3ccccc3c12)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H10 compound treatment 0.108 0.096374 0.5023 0.03 0.00973 0.0541 -0.013 -0.03538 -0.2001 0.2057 0.3786 3032563 ChemDiv3_010372 Fc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H11 compound treatment -0.026 -0.037626 -0.1961 -0.036 -0.05627 -0.3127 -0.006 -0.02838 -0.1605 -0.3864 -0.9601 3120986 ChemDiv3_010373 Cc1ncoc1C(=O)Nc2ccccc2C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H12 compound treatment 0.127 0.11537 0.6014 -0.121 -0.14127 -0.7851 0.061 0.03862 0.2184 0.02 0.0198 3032565 ChemDiv3_010374 O=C(N1CCCc2ccccc12)c3cnn4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H13 compound treatment 0.065 0.053374 0.2782 0.119 0.09873 0.5487 -0.054 -0.07638 -0.4319 0.228 0.3033 3120987 ChemDiv3_010375 CCOC(=O)C(C)Sc1nnc(Cn2c(=O)sc3ccccc23)n1c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H14 compound treatment 0.131 0.11937 0.6222 0.16 0.13973 0.7765 -0.006 -0.02838 -0.1605 0.7149 0.7093 3120988 ChemDiv3_010376 CCOC(=O)c1cnn(CCOC(=O)c2ccc(C)cc2)c1NC(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H15 compound treatment -0.063 -0.074626 -0.389 0.11 0.08973 0.4986 -0.025 -0.04738 -0.2679 -0.0914 -0.133 3032567 ChemDiv3_010377 CCc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H16 compound treatment -0.043 -0.054626 -0.2847 0.253 0.23273 1.2933 -0.081 -0.10338 -0.5846 0.2448 0.1691 3121170 ChemDiv3_010378 Brc1ccc(cc1)C(=O)Cn2c(=O)n3nc(nc3c4ccccc24)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H17 compound treatment 0.225 0.21337 1.1122 -0.123 -0.14327 -0.7962 0.007 -0.01538 -0.087 0.1322 0.0965 3032569 ChemDiv3_010379 CC(C)CCNC(=O)c1ccc2c(SCC(=O)O)c3CCCc3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H18 compound treatment 0.026 0.014374 0.0749 0.053 0.03273 0.1819 0.031 0.0086202 0.0487 0.1764 0.8705 3121171 ChemDiv3_010380 O=C(Cn1nc(Cc2cccnc2)c3ccccc3c1=O)Nc4ccc(Oc5ccccc5)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H19 compound treatment -0.06 -0.071626 -0.3733 0.396 0.37573 2.088 -0.147 -0.16938 -0.9579 0.4369 0.1877 3121172 ChemDiv3_010381 COc1ccc2[nH]c3c(=O)n(CC(=O)N(C)Cc4ccccc4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H20 compound treatment 0.02 0.0083745 0.0436 0.169 0.14873 0.8265 0.034 0.01162 0.0657 0.5403 0.6508 3032571 ChemDiv3_010382 CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)c2cccc3cccnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H21 compound treatment -0.017 -0.028626 -0.1492 0.029 0.00873 0.0485 -0.117 -0.13938 -0.7882 -0.5132 -0.6386 3032607 ChemDiv3_010383 Cc1ccc(cc1)n2c(Cc3cccn3C)nnc2SCC(=O)N4CCN(CC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H22 compound treatment -0.054 -0.065626 -0.3421 -0.096 -0.11627 -0.6461 0.022 -3.7977E-4 -0.0021 -0.5718 -0.7821 3032608 ChemDiv3_010384 O=C(NCCc1ccccc1)c2ccc3SCCN(Cc4ccccc4)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H23 mock treatment -0.007 -0.018626 -0.0971 0.03 0.00973 0.0541 -0.106 -0.12838 -0.726 -0.444 -0.6045 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 H24 mock treatment 0.0 -0.011626 -0.0606 0.058 0.03773 0.2097 -0.013 -0.03538 -0.2001 -0.0294 -0.0995 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I01 compound treatment 0.0 -0.011626 -0.0606 -0.013 -0.03327 -0.1849 -0.093 -0.11538 -0.6525 -0.5184 -0.7614 3032609 ChemDiv3_010385 O=C(CCc1nc2cccnc2n1Cc3ccccc3)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I02 compound treatment -0.083 -0.094626 -0.4932 0.052 0.03173 0.1763 -0.006 -0.02838 -0.1605 -0.2756 -0.5031 3032611 ChemDiv3_010386 Brc1ccc(cc1)n2c(=O)cc(NCc3ccco3)[nH]c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I03 compound treatment -0.088 -0.099626 -0.5193 0.03 0.00973 0.0541 -0.137 -0.15938 -0.9013 -0.789 -0.7574 1060194 ChemDiv3_010387 Cc1cccc(c1)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I04 compound treatment -0.068 -0.079626 -0.415 -0.059 -0.07927 -0.4405 -0.096 -0.11838 -0.6695 -0.8805 -0.9756 3032613 ChemDiv3_010388 COC(=O)c1ccc(/N=c/2\sc(cc(=O)n2Cc3ccccc3)C(=O)OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I05 compound treatment 0.197 0.18537 0.9662 -0.068 -0.08827 -0.4905 0.03 0.0076202 0.0431 0.2995 0.2762 3032614 ChemDiv3_010389 CN(Cc1ccccc1)C(=O)CCc2nc3cccnc3n2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I06 compound treatment 0.02 0.0083745 0.0436 -0.044 -0.06427 -0.3572 0.065 0.04262 0.241 -0.0418 -0.0966 3121173 ChemDiv3_010390 Cc1ccc(cc1)N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc4ccc5OCOc5c4)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I07 compound treatment -0.038 -0.049626 -0.2587 0.075 0.05473 0.3041 0.161 0.13862 0.7839 0.4789 0.5443 3032616 ChemDiv3_010391 CN(C)CCN(Cc1ccco1)C(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I08 compound treatment -0.228 -0.23963 -1.249 0.019 -0.00127 -0.0071 -0.013 -0.03538 -0.2001 -0.8407 -0.6646 3121174 ChemDiv3_010392 COc1ccc(cc1)C(=O)N2CCN(CC2)c3ccc(nn3)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I09 compound treatment 0.026 0.014374 0.0749 -0.036 -0.05627 -0.3127 -0.013 -0.03538 -0.2001 -0.2528 -0.6675 3032618 ChemDiv3_010393 CC(C)NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I10 compound treatment 0.138 0.12637 0.6587 0.106 0.08573 0.4764 0.16 0.13762 0.7783 1.1047 0.9816 3121175 ChemDiv3_010394 Cc1ccc(cc1NC(=O)c2ccccc2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I11 compound treatment -0.032 -0.043626 -0.2274 -0.014 -0.03427 -0.1904 0.019 -0.0033798 -0.0191 -0.2523 -0.8488 3121176 ChemDiv3_010395 Cc1cc2ccccc2n1C(=O)Cn3ncc4c(=O)oc5ccc(C)cc5c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I12 compound treatment 0.015 0.0033745 0.0176 -0.066 -0.08627 -0.4794 0.037 0.01462 0.0827 -0.2189 -0.4497 3032620 ChemDiv3_010396 Cc1ccc(cc1NC(=O)Nc2ccccc2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I13 compound treatment 0.11 0.098374 0.5128 0.027 0.00673 0.0374 -0.14 -0.16238 -0.9183 -0.2125 -0.202 3121177 ChemDiv3_010397 CN1C(C(=O)Nc2c(C)cccc2C)c3cccc[n+]3CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I14 compound treatment 0.026 0.014374 0.0749 -0.078 -0.09827 -0.5461 -0.014 -0.03638 -0.2057 -0.3908 -0.6642 3032623 ChemDiv3_010398 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I15 compound treatment 0.05 0.038374 0.2 -0.057 -0.07727 -0.4294 -0.141 -0.16338 -0.9239 -0.6659 -0.6413 3121178 ChemDiv3_010399 Cc1ccccc1NC(=O)C2N(Cc3ccc4OCOc4c3)C(=O)C[n+]5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I16 compound treatment 0.013 0.0013745 0.0072 -0.006 -0.02627 -0.146 -0.034 -0.05638 -0.3188 -0.2642 -0.7533 3121179 ChemDiv3_010400 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCC(CC3)C(=O)NCCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I17 compound treatment 0.058 0.046374 0.2417 0.184 0.16373 0.9099 0.242 0.21962 1.242 1.3819 0.8867 3032627 ChemDiv3_010401 Cc1cc(on1)C(=O)Nc2sc3CCCCc3c2C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I18 compound treatment -0.095 -0.10663 -0.5558 -0.054 -0.07427 -0.4127 -0.012 -0.03438 -0.1944 -0.6714 -0.9338 3121180 ChemDiv3_010402 COc1ccc(cc1)C2=NOC(C2)C(=O)NC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I19 compound treatment 0.014 0.0023745 0.0124 0.082 0.06173 0.343 -0.03 -0.05238 -0.2962 0.0342 0.0754 3032629 ChemDiv3_010403 O=C(N1CCC2(CC1)OCCO2)c3cc4ccccn4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I20 compound treatment -0.05 -0.061626 -0.3212 0.038 0.01773 0.0985 -0.025 -0.04738 -0.2679 -0.2833 -0.6591 3121181 ChemDiv3_010404 Fc1ccc(cc1)C2=NOC(C2)C(=O)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I21 compound treatment -0.033 -0.044626 -0.2326 0.013 -0.00727 -0.0404 0.179 0.15662 0.8857 0.3538 0.3859 3032631 ChemDiv3_010405 COC(CN(C)C(=O)c1cc2c(C)nc3ccccc3c2o1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I22 compound treatment 0.065 0.053374 0.2782 0.14 0.11973 0.6654 0.019 -0.0033798 -0.0191 0.5337 0.7398 3121182 ChemDiv3_010406 COc1ccc(OC)c(c1)C2=NOC(C2)C(=O)N3CCCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I23 mock treatment 0.033 0.021374 0.1114 0.116 0.09573 0.532 0.132 0.10962 0.6199 0.7294 0.8847 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 I24 mock treatment 0.107 0.095374 0.4971 0.135 0.11473 0.6376 0.074 0.05162 0.2919 0.8237 0.9582 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J01 compound treatment -0.047 -0.058626 -0.3056 -0.035 -0.05527 -0.3071 0.077 0.05462 0.3089 -0.1754 -0.3297 3032633 ChemDiv3_010407 Cc1ccc(Cn2nnc3c(=O)n(Cc4cccc(C)c4)cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J02 compound treatment -0.039 -0.050626 -0.2639 -0.015 -0.03527 -0.196 -0.075 -0.09738 -0.5507 -0.5835 -0.9097 3032666 ChemDiv3_010408 CC(N1C(=O)NC(=O)/C(=C/c2coc3ccccc3c2=O)/C1=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J03 compound treatment 0.007 -0.0046255 -0.0241 -0.049 -0.06927 -0.3849 0.053 0.03062 0.1732 -0.1362 -0.3221 3032667 ChemDiv3_010409 CCOC(=O)Cn1cnc2n(nnc2c1=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J04 compound treatment -0.215 -0.22663 -1.1812 0.178 0.15773 0.8765 -0.101 -0.12338 -0.6977 -0.5788 -0.3555 3032669 ChemDiv3_010410 COc1ccccc1CNc2nc3c(nnn3c4ccccc24)c5cccc(C)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J05 compound treatment -0.031 -0.042626 -0.2222 -0.006 -0.02627 -0.146 0.093 0.07062 0.3994 0.018 0.0376 3032670 ChemDiv3_010411 CNC(=S)NCCc1c(C)[nH]c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J06 compound treatment 0.055 0.043374 0.2261 0.19 0.16973 0.9432 -0.105 -0.12738 -0.7204 0.2592 0.2145 3032671 ChemDiv3_010412 COC(=O)CSc1nc(nc2Oc3ccc(Br)cc3Cc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J07 compound treatment -0.129 -0.14063 -0.733 0.043 0.02273 0.1263 0.036 0.01362 0.077 -0.3058 -0.4089 3032673 ChemDiv3_010413 COc1ccc2nc3[nH]nc(NC(=O)Cc4ccccc4OC)c3cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J08 compound treatment 0.218 0.20637 1.0757 0.013 -0.00727 -0.0404 -0.033 -0.05538 -0.3132 0.4169 0.3719 3121183 ChemDiv3_010414 O=C(Cc1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J09 compound treatment 0.021 0.0093745 0.0489 0.029 0.00873 0.0485 -0.007 -0.02938 -0.1661 -0.0397 -0.2208 3032676 ChemDiv3_010415 O=C(Cn1nc(Cc2ccncc2)c3ccccc3c1=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J10 compound treatment 0.033 0.021374 0.1114 -0.058 -0.07827 -0.435 0.0 -0.02238 -0.1266 -0.2599 -0.5571 3121184 ChemDiv3_010416 Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J11 compound treatment 0.019 0.0073745 0.0384 -0.07 -0.09027 -0.5016 -0.062 -0.08438 -0.4772 -0.5429 -0.783 3032678 ChemDiv3_010417 Cc1ncoc1C(=O)Nc2ccc(cc2)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J12 compound treatment 0.054 0.042374 0.2209 -0.044 -0.06427 -0.3572 -0.156 -0.17838 -1.0088 -0.6611 -0.605 3121185 ChemDiv3_010418 CSc1cccc(NC(=O)c2cnn3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J13 compound treatment 0.007 -0.0046255 -0.0241 -0.058 -0.07827 -0.435 -0.075 -0.09738 -0.5507 -0.583 -0.8303 3121186 ChemDiv3_010419 OC(=O)CSc1nnc(Cn2c(=O)sc3ccccc23)n1c4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J14 compound treatment -0.112 -0.12363 -0.6444 0.061 0.04073 0.2263 0.075 0.05262 0.2976 -0.0695 -0.0933 3032680 ChemDiv3_010420 CCOC(=O)c1cnn(CCOC(=O)c2cccs2)c1NC(=O)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J15 compound treatment -0.111 -0.12263 -0.6392 0.19 0.16973 0.9432 0.078 0.05562 0.3145 0.3572 0.3022 3121187 ChemDiv3_010421 CN(C(=O)c1ccc2c(Cl)c3CCCc3nc2c1)c4ccccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J16 compound treatment -0.085 -0.096626 -0.5036 0.045 0.02473 0.1374 -0.018 -0.04038 -0.2284 -0.3433 -0.6024 3032682 ChemDiv3_010422 Cc1cc(C)n(CCc2nc3c4ccccc4n(Cc5ccc(Cl)cc5)c(=O)n3n2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J17 compound treatment -0.089 -0.10063 -0.5245 0.045 0.02473 0.1374 0.102 0.07962 0.4503 0.0365 0.0518 3121188 ChemDiv3_010423 COc1ccc2[nH]c3c(=O)n(Cc4ccc(cc4)C(=O)NCc5cccnc5)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J18 compound treatment -0.062 -0.073626 -0.3838 0.006 -0.01427 -0.0793 0.051 0.02862 0.1619 -0.1739 -0.4102 3121189 ChemDiv3_010424 CN(C1CCCCC1)C(=O)Cn2nc(Cc3cccnc3)c4ccccc4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J19 compound treatment -0.179 -0.19063 -0.9936 0.106 0.08573 0.4764 0.192 0.16962 0.9592 0.2552 0.1747 3032684 ChemDiv3_010425 COc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(CC4)c5ccc(F)cc5)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J20 compound treatment 0.106 0.094374 0.4919 -0.078 -0.09827 -0.5461 0.139 0.11662 0.6595 0.3495 0.3539 3121190 ChemDiv3_010426 O=C(C1CCCN(C1)S(=O)(=O)c2cccc3cccnc23)N4CCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J21 compound treatment 0.186 0.17437 0.9089 -0.106 -0.12627 -0.7017 0.106 0.08362 0.4729 0.3926 0.3162 3032686 ChemDiv3_010427 CCOC(=O)N1CCN(CC1)C(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J22 compound treatment 0.041 0.029374 0.1531 0.081 0.06073 0.3375 0.0 -0.02238 -0.1266 0.2102 0.5367 3121191 ChemDiv3_010428 CCC(C)NC(=O)c1ccc2SCCN(Cc3ccc(C)cc3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J23 mock treatment 0.057 0.045374 0.2365 0.069 0.04873 0.2708 0.065 0.04262 0.241 0.432 0.9981 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 J24 mock treatment 0.037 0.025374 0.1323 0.031 0.01073 0.0596 0.013 -0.0093798 -0.053 0.0802 0.5189 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K01 compound treatment 0.088 0.076374 0.3981 -0.153 -0.17327 -0.9629 0.007 -0.01538 -0.087 -0.3763 -0.3599 3121192 ChemDiv3_010429 COc1ccc(NC(=O)c2cnn(c2C3CCNCC3)c4ccc(C)c(C)c4)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K02 compound treatment 0.0 -0.011626 -0.0606 0.028 0.00773 0.043 0.073 0.05062 0.2863 0.1551 0.5244 3032689 ChemDiv3_010430 Brc1ccc(cc1)n2c(=O)cc(Nc3ccc4OCOc4c3)[nH]c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K03 compound treatment 0.006 -0.0056255 -0.0293 0.087 0.06673 0.3708 0.007 -0.01538 -0.087 0.147 0.3847 3121193 ChemDiv3_010431 CCCn1c(CCC(=O)Nc2ccccc2)nc3cccnc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K04 compound treatment 0.027 0.015374 0.0801 0.007 -0.01327 -0.0737 -0.131 -0.15338 -0.8674 -0.4971 -0.5686 3032692 ChemDiv3_010432 CCn/1c(=O)cc(s\c1=N/c2ccc(F)c(F)c2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K05 compound treatment 0.083 0.071374 0.372 -0.034 -0.05427 -0.3016 0.02 -0.0023798 -0.0135 0.0329 0.0687 3121194 ChemDiv3_010433 CCc1ccc(NC(=O)CCc2nc3cccnc3n2c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K06 compound treatment -0.052 -0.063626 -0.3316 -0.051 -0.07127 -0.3961 0.193 0.17062 0.9649 0.1369 0.1251 3121195 ChemDiv3_010434 O=C(CC1N(C2CCCCC2)C(=O)N(C1=O)c3ccccc3)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K07 compound treatment 0.076 0.064374 0.3355 0.152 0.13173 0.732 0.102 0.07962 0.4503 0.8763 0.9498 3032694 ChemDiv3_010435 CC(CCc1ccco1)NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K08 compound treatment -0.024 -0.035626 -0.1857 0.101 0.08073 0.4486 0.025 0.0026202 0.0148 0.1604 0.3301 3032733 ChemDiv3_010436 CCC(=O)Nc1cccc(c1)c2cn3cccnc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K09 compound treatment 0.203 0.19137 0.9975 0.034 0.01373 0.0763 0.05 0.02762 0.1562 0.7101 0.7013 3032735 ChemDiv3_010437 Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4)c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K10 compound treatment 0.095 0.083374 0.4346 0.085 0.06473 0.3597 0.026 0.0036202 0.0205 0.4704 0.8333 3032736 ChemDiv3_010438 COc1ccc(cc1NC(=O)C(C)C)c2cn3cccnc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K11 compound treatment -0.065 -0.076626 -0.3994 -0.108 -0.12827 -0.7128 -0.053 -0.07538 -0.4263 -0.8883 -0.9638 3032738 ChemDiv3_010439 COc1ccccc1Nc2c3CCCCc3nc4ccc(NC(=O)Cc5cccs5)cc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K12 compound treatment 0.43 0.41837 2.1807 0.358 0.33773 1.8768 0.27 0.24762 1.4003 3.1511 0.9848 3032739 ChemDiv3_010440 Clc1ccc(CSc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K13 compound treatment 0.074 0.062374 0.3251 0.014 -0.00627 -0.0348 -0.014 -0.03638 -0.2057 0.0488 0.1263 3032741 ChemDiv3_010441 CCCN1C(C(=O)Nc2ccccc2C)c3cccc[n+]3CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K14 compound treatment -0.065 -0.076626 -0.3994 -0.048 -0.06827 -0.3794 0.106 0.08362 0.4729 -0.1766 -0.2433 3121196 ChemDiv3_010442 COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c4cc(OC)ccc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K15 compound treatment -0.006 -0.017626 -0.0919 0.061 0.04073 0.2263 0.121 0.09862 0.5577 0.3996 0.6564 3032743 ChemDiv3_010443 Cc1cc(on1)C(=O)Nc2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K16 compound treatment -0.12 -0.13163 -0.6861 -0.033 -0.05327 -0.296 -0.077 -0.09938 -0.562 -0.8915 -0.9535 3121374 ChemDiv3_010444 CCSc1nc2NC3=C(C(c4cccs4)n2n1)C(=O)CCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K17 compound treatment 0.115 0.10337 0.5388 -0.027 -0.04727 -0.2627 0.0 -0.02238 -0.1266 0.0864 0.1409 3032744 ChemDiv3_010445 Cc1noc(C(=O)N2CCCc3ccccc23)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K18 compound treatment -0.069 -0.080626 -0.4202 0.216 0.19573 1.0877 0.247 0.22462 1.2703 1.1188 0.6488 3121375 ChemDiv3_010446 COc1ccc(NC(=O)C2CC(=NO2)c3cccc(OC)c3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K19 compound treatment 0.197 0.18537 0.9662 0.018 -0.00227 -0.0126 0.113 0.09062 0.5125 0.8464 0.7739 3032746 ChemDiv3_010447 CC1CCN(CC1)C(=O)c2cc3c(C)nc4ccccc4c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K20 compound treatment 0.099 0.087374 0.4554 -0.071 -0.09127 -0.5072 0.123 0.10062 0.569 0.2986 0.3363 3121376 ChemDiv3_010448 Fc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K21 compound treatment 0.062 0.050374 0.2626 -0.128 -0.14827 -0.824 0.079 0.05662 0.3202 -0.1393 -0.151 3032749 ChemDiv3_010449 COC(CNC(=O)c1cc2c(C)nc3ccccc3c2o1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K22 compound treatment 0.012 3.7448E-4 0.002 -0.1 -0.12027 -0.6684 0.045 0.02262 0.1279 -0.3109 -0.4569 3121377 ChemDiv3_010450 COc1ccc(OC)c(c1)C2=NOC(C2)C(=O)N(C)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K23 mock treatment 0.037 0.025374 0.1323 0.003 -0.01727 -0.096 0.066 0.04362 0.2467 0.1634 0.5521 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 K24 mock treatment 0.054 0.042374 0.2209 -0.06 -0.08027 -0.4461 0.032 0.0096202 0.0544 -0.0986 -0.1969 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L01 compound treatment -0.006 -0.017626 -0.0919 0.0 -0.02027 -0.1126 0.026 0.0036202 0.0205 -0.1063 -0.7239 3121378 ChemDiv3_010451 Cc1ccc(Cn2nnc3c(=O)n(Cc4ccc(cc4)C(F)(F)F)cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L02 compound treatment -0.089 -0.10063 -0.5245 0.013 -0.00727 -0.0404 0.006 -0.01638 -0.0926 -0.3796 -0.7107 3032752 ChemDiv3_010452 O=C/1NN(C(=O)\C1=C\c2coc3ccccc3c2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L03 compound treatment 0.017 0.0053745 0.028 0.061 0.04073 0.2263 0.074 0.05162 0.2919 0.3154 0.8514 3121379 ChemDiv3_010453 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc45)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L04 compound treatment -0.085 -0.096626 -0.5036 0.157 0.13673 0.7598 -0.112 -0.13438 -0.7599 -0.2908 -0.2451 3032754 ChemDiv3_010454 Brc1ccc(NC(=O)Cn2c(=O)c3ccccc3n4nncc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L05 compound treatment 0.099 0.087374 0.4554 0.034 0.01373 0.0763 -0.093 -0.11538 -0.6525 -0.0697 -0.0872 3121380 ChemDiv3_010455 COc1ccc2cc3c(NC(=O)Cc4cccc(c4)C(F)(F)F)n[nH]c3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L06 compound treatment -0.006 -0.017626 -0.0919 0.049 0.02873 0.1597 0.024 0.0016202 0.0092 0.0444 0.2409 3032757 ChemDiv3_010456 COc1ccc(cc1)c2nc(SCC(=O)N)c3Cc4ccccc4Oc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L07 compound treatment -0.107 -0.11863 -0.6183 0.196 0.17573 0.9766 0.099 0.07662 0.4333 0.457 0.3702 3121381 ChemDiv3_010457 CC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L08 compound treatment -0.053 -0.064626 -0.3368 0.079 0.05873 0.3264 0.027 0.0046202 0.0261 0.009 0.0192 3032801 ChemDiv3_010458 COc1ccccc1NC(=O)c2oc3ccccc3c2NC(=O)CSCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L09 compound treatment 0.084 0.072374 0.3772 -0.006 -0.02627 -0.146 0.074 0.05162 0.2919 0.3021 0.6055 3032759 ChemDiv3_010459 O=C(NCc1ccccc1)c2cc3CSc4ccccc4-c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L10 compound treatment -0.174 -0.18563 -0.9675 -0.123 -0.14327 -0.7962 -0.085 -0.10738 -0.6073 -1.3689 -0.9831 1477644 ChemDiv3_010460 CCOC(=O)c1oc2ccccc2c1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L11 compound treatment -0.049 -0.060626 -0.316 -0.018 -0.03827 -0.2127 0.097 0.07462 0.422 -0.0616 -0.1083 3032761 ChemDiv3_010461 CCSc1nnc(Cn2c(=O)sc3ccccc23)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L12 compound treatment -0.013 -0.024626 -0.1284 0.115 0.09473 0.5264 -0.027 -0.04938 -0.2793 0.0686 0.1125 3121382 ChemDiv3_010462 OC(C1CCN(CC1)C(=O)c2cnn3ccccc23)(c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L13 compound treatment -0.006 -0.017626 -0.0919 0.07 0.04973 0.2764 0.007 -0.01538 -0.087 0.0563 0.1852 3121383 ChemDiv3_010463 COc1ccc2[nH]c3c(=O)n(CCCC(=O)N4CCCC4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L14 compound treatment 0.234 0.22237 1.1591 0.187 0.16673 0.9265 0.279 0.25662 1.4512 2.042 0.9838 3032802 ChemDiv3_010464 CCCCn1c(CN2CCN(CC)CC2)nc3n(C)c(=O)[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L15 compound treatment 0.036 0.024374 0.127 0.066 0.04573 0.2541 0.04 0.01762 0.0996 0.2776 0.922 3032803 ChemDiv3_010465 COc1cc(NC(=O)c2ccc3c(SCC(=O)O)c4CCCc4nc3c2)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L16 compound treatment -0.247 -0.25863 -1.348 -0.145 -0.16527 -0.9184 -0.031 -0.05338 -0.3019 -1.4828 -0.8939 3032804 ChemDiv3_010466 CCN(C(=O)Cn1c(=O)n2nc(CCn3nc(C)cc3C)nc2c4ccccc14)c5cccc(C)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L17 compound treatment 0.045 0.033374 0.174 -0.189 -0.20927 -1.1629 0.084 0.06162 0.3485 -0.3698 -0.3015 3032806 ChemDiv3_010467 COc1ccc2[nH]c3c(=O)n(Cc4ccc(cc4)C(=O)NC5CC5)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L18 compound treatment 0.115 0.10337 0.5388 -0.098 -0.11827 -0.6572 0.029 0.0066202 0.0374 -0.0468 -0.055 3032807 ChemDiv3_010468 O=C(Cn1nc(Cc2cccnc2)c3ccccc3c1=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L19 compound treatment 0.026 0.014374 0.0749 0.117 0.09673 0.5375 -0.025 -0.04738 -0.2679 0.1989 0.3286 3121384 ChemDiv3_010469 Cn1cccc1Cc2nnc(SCC(=O)N3CCCCC3)n2CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L20 compound treatment -0.225 -0.23663 -1.2333 -0.039 -0.05927 -0.3294 -0.263 -0.28538 -1.6139 -1.834 -0.8913 3121385 ChemDiv3_010470 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc3cccc(F)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L21 compound treatment -0.078 -0.089626 -0.4671 0.037 0.01673 0.093 -0.038 -0.06038 -0.3415 -0.4132 -0.705 3032810 ChemDiv3_010471 Cn1cccc1Cc2nnc(SCC(=O)N3CCCc4ccccc34)n2c5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L22 compound treatment -0.092 -0.10363 -0.5401 -0.064 -0.08427 -0.4683 -0.226 -0.24838 -1.4046 -1.3932 -0.884 3121386 ChemDiv3_010472 Cc1ccc(CN2CCSc3ccc(cc23)C(=O)Nc4ccc(F)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L23 mock treatment -0.113 -0.12463 -0.6496 -0.145 -0.16527 -0.9184 -0.173 -0.19538 -1.1049 -1.5432 -0.9787 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 L24 mock treatment -0.089 -0.10063 -0.5245 0.018 -0.00227 -0.0126 0.039 0.01662 0.094 -0.2558 -0.48 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M01 compound treatment 0.031 0.019374 0.101 0.161 0.14073 0.7821 -0.041 -0.06338 -0.3584 0.3029 0.3497 3032813 ChemDiv3_010473 CCOC(=O)N1CCC(CC1)c2nc3ccccn3c2C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M02 compound treatment 0.02 0.0083745 0.0436 -0.136 -0.15627 -0.8684 0.268 0.24562 1.389 0.3258 0.1988 3121387 ChemDiv3_010474 Cc1ccc(cc1)n2c(=O)cc([nH]c2=O)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M03 compound treatment -0.016 -0.027626 -0.144 -0.142 -0.16227 -0.9018 -0.079 -0.10138 -0.5733 -0.9348 -0.8669 3121388 ChemDiv3_010475 CCCn1c(CCC(=O)N2CCc3ccccc3C2)nc4cccnc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M04 compound treatment 0.019 0.0073745 0.0384 -0.039 -0.05927 -0.3294 0.074 0.05162 0.2919 6.0E-4 0.0013 3032815 ChemDiv3_010476 COC(=O)c1cc(=O)n(c2ccccc2)/c(=N/c3ccccc3)/s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M05 compound treatment 0.082 0.070374 0.3668 0.208 0.18773 1.0432 0.223 0.20062 1.1345 1.4691 0.9273 3121389 ChemDiv3_010477 COc1ccc(Cl)cc1NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M06 compound treatment -0.024 -0.035626 -0.1857 0.025 0.00473 0.0263 0.266 0.24362 1.3777 0.7034 0.5059 3032816 ChemDiv3_010478 CCNC(=O)CC1N(Cc2ccc(OC)cc2)C(=O)N(C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M07 compound treatment -0.047 -0.058626 -0.3056 0.126 0.10573 0.5876 0.055 0.03262 0.1845 0.2693 0.3917 3121390 ChemDiv3_010479 Clc1ccc2c(SCC(=O)N3CCCCCC3)c4CCCCc4nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M08 compound treatment 0.006 -0.0056255 -0.0293 0.035 0.01473 0.0819 0.006 -0.01638 -0.0926 -0.0231 -0.1822 3121391 ChemDiv3_010480 O=C(Nc1cccc(c1)c2cn3cccnc3n2)C4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M09 compound treatment 0.147 0.13537 0.7056 0.067 0.04673 0.2597 0.239 0.21662 1.225 1.2646 0.8798 3032819 ChemDiv3_010481 CC1CCN(CCCNC(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M10 compound treatment -0.006 -0.017626 -0.0919 -0.096 -0.11627 -0.6461 -0.093 -0.11538 -0.6525 -0.8028 -0.8699 3121392 ChemDiv3_010482 O=C(CCC1CCCCC1)Nc2ccc(cc2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M11 compound treatment -0.007 -0.018626 -0.0971 -0.117 -0.13727 -0.7628 0.006 -0.01638 -0.0926 -0.55 -0.71 3121393 ChemDiv3_010483 COc1ccc(Nc2c3CCCCc3nc4ccc(NC(=O)C5CC5)cc24)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M12 compound treatment -0.023 -0.034626 -0.1805 -0.044 -0.06427 -0.3572 0.149 0.12662 0.7161 0.103 0.1256 3032821 ChemDiv3_010484 CN1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M13 compound treatment -0.031 -0.042626 -0.2222 0.093 0.07273 0.4042 0.224 0.20162 1.1402 0.7634 0.6207 3121394 ChemDiv3_010485 COc1ccc(cc1)N2C(C(=O)Nc3c(C)cccc3C)c4cccc[n+]4C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M14 compound treatment -0.014 -0.025626 -0.1336 -0.163 -0.18327 -1.0185 0.109 0.08662 0.4899 -0.3823 -0.3359 3032823 ChemDiv3_010486 COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc4n(C)c(=O)oc4c3)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M15 compound treatment 0.007 -0.0046255 -0.0241 -0.068 -0.08827 -0.4905 -0.05 -0.07238 -0.4093 -0.5334 -0.8344 3121395 ChemDiv3_010487 CCc1ccc(NC(=O)c2cc(C)no2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M16 compound treatment -0.013 -0.024626 -0.1284 -0.1 -0.12027 -0.6684 0.115 0.09262 0.5238 -0.1576 -0.1835 3121396 ChemDiv3_010488 COc1ccc(cc1)C2=NOC(C2)C(=O)Nc3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M17 compound treatment 0.045 0.033374 0.174 0.098 0.07773 0.432 0.025 0.0026202 0.0148 0.3584 0.7692 3032826 ChemDiv3_010489 CCC(C)NC(=O)c1onc(C)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M18 compound treatment 0.268 0.25637 1.3363 0.0 -0.02027 -0.1126 0.25 0.22762 1.2872 1.4497 0.7799 3121397 ChemDiv3_010490 COc1cccc(c1)C2=NOC(C2)C(=O)NCC3CCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M19 compound treatment -0.014 -0.025626 -0.1336 -0.09 -0.11027 -0.6128 0.065 0.04262 0.241 -0.2918 -0.4342 3032828 ChemDiv3_010491 CCOC(=O)C1CCCN(C1)C(=O)c2cc3c(C)nc4ccccc4c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M20 compound treatment 0.101 0.089374 0.4658 -0.006 -0.02627 -0.146 0.046 0.02362 0.1336 0.2618 0.5172 3032867 ChemDiv3_010492 Fc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M21 compound treatment 0.191 0.17937 0.9349 -0.076 -0.09627 -0.535 0.665 0.64262 3.6341 2.3291 0.6145 3032869 ChemDiv3_010493 CN1CCN(CCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M22 compound treatment -0.083 -0.094626 -0.4932 0.098 0.07773 0.432 -0.113 -0.13538 -0.7656 -0.4774 -0.4736 3032870 ChemDiv3_010494 COc1ccc(OC)c(c1)C2=NOC(C2)C(=O)NCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M23 mock treatment 0.138 0.12637 0.6587 0.051 0.03073 0.1708 -0.083 -0.10538 -0.5959 0.1348 0.1491 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 M24 mock treatment 0.054 0.042374 0.2209 0.028 0.00773 0.043 0.06 0.03762 0.2127 0.2751 0.8886 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N01 compound treatment 0.098 0.086374 0.4502 -0.17 -0.19027 -1.0574 0.013 -0.0093798 -0.053 -0.3812 -0.3313 3032871 ChemDiv3_010495 CCOC(=O)C(C)n1cnc2n(Cc3ccc(C)cc3)nnc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N02 compound treatment -0.066 -0.077626 -0.4046 -0.066 -0.08627 -0.4794 0.141 0.11862 0.6708 -0.1231 -0.134 3032873 ChemDiv3_010496 N=C/1N2N=CSC2=NC(=O)\C1=C\c3coc4ccccc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N03 compound treatment -0.113 -0.12463 -0.6496 0.124 0.10373 0.5764 0.027 0.0046202 0.0261 -0.0271 -0.0312 3032874 ChemDiv3_010497 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)NC4CCCCC4)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N04 compound treatment 0.115 0.10337 0.5388 0.118 0.09773 0.5431 -0.018 -0.04038 -0.2284 0.4928 0.6172 3121398 ChemDiv3_010498 COc1ccc2n(Cc3ccccc3)cc(c(=O)c2c1)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N05 compound treatment 0.055 0.043374 0.2261 0.001 -0.01927 -0.1071 0.056 0.03362 0.1901 0.1785 0.568 3032876 ChemDiv3_010499 Clc1c2CCCc2nc3cc(ccc13)C(=O)NCCC4=CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N06 compound treatment 0.018 0.0063745 0.0332 0.079 0.05873 0.3264 0.258 0.23562 1.3325 0.9769 0.7119 3121399 ChemDiv3_010500 Cc1nc2c3ccccc3n4c(CCCC(=O)O)nnc4n2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N07 compound treatment -0.084 -0.095626 -0.4984 0.11 0.08973 0.4986 0.526 0.50362 2.8481 1.6445 0.5605 3121400 ChemDiv3_010501 Cc1cccc(CN2CCC(CNC(=O)c3cc4c(=O)[nH]c5ccc(C)cc5c4s3)CC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N08 compound treatment -0.073 -0.084626 -0.4411 0.411 0.39073 2.1714 -0.012 -0.03438 -0.1944 0.8867 0.3987 3032878 ChemDiv3_010502 COc1ccccc1NC(=O)c2oc3ccccc3c2NC(=O)Cc4cccc(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N09 compound treatment 0.014 0.0023745 0.0124 -0.08 -0.10027 -0.5572 0.142 0.11962 0.6765 0.076 0.0867 3121573 ChemDiv3_010503 COc1ccc2[nH]c3c(=O)n(CCC(=O)NCCc4ccc(OC)c(OC)c4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N10 compound treatment 0.0 -0.011626 -0.0606 -0.127 -0.14727 -0.8184 0.096 0.07362 0.4163 -0.2671 -0.2903 3032880 ChemDiv3_010504 COc1ccccc1NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c4sc5ccccc5c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N11 compound treatment 0.0 -0.011626 -0.0606 -0.017 -0.03727 -0.2071 -0.006 -0.02838 -0.1605 -0.2472 -0.9193 3121574 ChemDiv3_010505 Cn1c(Cn2c(=O)sc3ccccc23)nnc1SCC(=O)NCc4ccccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N12 compound treatment 0.115 0.10337 0.5388 0.006 -0.01427 -0.0793 0.087 0.06462 0.3654 0.4763 0.7262 3032882 ChemDiv3_010506 Cc1ccccc1NC(=O)c2cnn3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N13 compound treatment 0.021 0.0093745 0.0489 0.0 -0.02027 -0.1126 -0.486 -0.50838 -2.875 -1.6967 -0.5896 3121575 ChemDiv3_010507 Nc1cc(nn1S(=O)(=O)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N14 compound treatment -0.18 -0.19163 -0.9988 -0.107 -0.12727 -0.7073 0.086 0.06362 0.3598 -0.7773 -0.6093 3121576 ChemDiv3_010508 CC(C)Cn1c(CN(Cc2ccccc2)Cc3ccccc3)nc4n(C)c(=O)[nH]c(=O)c14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N15 compound treatment -0.006 -0.017626 -0.0919 0.007 -0.01327 -0.0737 0.028 0.0056202 0.0318 -0.0773 -0.6332 3032884 ChemDiv3_010509 CC1CCCC(NC(=O)c2ccc3c(SCC(=O)O)c4CCCc4nc3c2)C1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N16 compound treatment 0.006 -0.0056255 -0.0293 -0.006 -0.02627 -0.146 0.012 -0.01038 -0.0587 -0.1351 -0.8441 3121577 ChemDiv3_010510 Clc1cccc(Nc2nnc(Cc3cccnc3)c4ccccc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N17 compound treatment 0.117 0.10537 0.5492 -0.055 -0.07527 -0.4183 -0.026 -0.04838 -0.2736 -0.0824 -0.1109 3121578 ChemDiv3_010511 COc1ccc2[nH]c3c(=O)n(Cc4ccc(cc4)C(=O)NCCc5ccc(C)cc5)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N18 compound treatment 0.135 0.12337 0.6431 0.175 0.15473 0.8599 0.118 0.09562 0.5408 1.1799 0.9815 3032885 ChemDiv3_010512 CC1CN(CCN1c2ccc(C)cc2)C(=O)Cn3nc(Cc4cccnc4)c5ccccc5c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N19 compound treatment 0.006 -0.0056255 -0.0293 0.265 0.24473 1.36 0.0 -0.02238 -0.1266 0.6952 0.5089 3121579 ChemDiv3_010513 Cn1cccc1Cc2nnc(SCC(=O)N3CCc4ccccc34)n2CCc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N20 compound treatment 0.042 0.030374 0.1583 -0.074 -0.09427 -0.5239 -0.081 -0.10338 -0.5846 -0.5486 -0.685 3032887 ChemDiv3_010514 CCn1c(=O)c(=O)n(CC)c2cc(ccc12)S(=O)(=O)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N21 compound treatment 0.027 0.015374 0.0801 -0.209 -0.22927 -1.2741 -0.006 -0.02838 -0.1605 -0.782 -0.6078 3121580 ChemDiv3_010515 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n2c5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N22 compound treatment 0.0 -0.011626 -0.0606 -0.125 -0.14527 -0.8073 0.051 0.02862 0.1619 -0.4076 -0.4937 3121581 ChemDiv3_010516 CCOc1ccc(NC(=O)c2ccc3SCCN(Cc4ccc(C)cc4)c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N23 mock treatment -0.087 -0.098626 -0.5141 -0.067 -0.08727 -0.485 0.142 0.11962 0.6765 -0.1862 -0.1904 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 N24 mock treatment -0.073 -0.084626 -0.4411 0.096 0.07573 0.4208 -0.033 -0.05538 -0.3132 -0.1925 -0.2809 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O01 compound treatment -0.072 -0.083626 -0.4359 0.0 -0.02027 -0.1126 -0.041 -0.06338 -0.3584 -0.5236 -0.9099 3032891 ChemDiv3_010517 CCOC(=O)c1cn2nc(cc2nc1C3CCN(CC3)C(=O)OC(C)(C)C)c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O02 compound treatment 0.007 -0.0046255 -0.0241 -0.053 -0.07327 -0.4072 0.255 0.23262 1.3155 0.5105 0.3707 3121582 ChemDiv3_010518 CCc1ccc2[nH]cc(c(=O)c2c1)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O03 compound treatment 0.025 0.013374 0.0697 0.012 -0.00827 -0.046 0.061 0.03862 0.2184 0.1398 0.5979 3032894 ChemDiv3_010519 CCCn1c(CCC(=O)N2CCc3ccccc23)nc4cccnc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O04 compound treatment 0.043 0.031374 0.1635 -0.08 -0.10027 -0.5572 -0.14 -0.16238 -0.9183 -0.7575 -0.6972 3121583 ChemDiv3_010520 CC/N=c/1\sc(cc(=O)n1CC)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O05 compound treatment 0.129 0.11737 0.6118 -0.04 -0.06027 -0.3349 0.131 0.10862 0.6143 0.5145 0.5536 3032940 ChemDiv3_010521 COc1cccc(c1)N2CCN(CC2)C(=O)c3cc4c(Cl)nc5ccc(C)cc5c4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O06 compound treatment 0.012 3.7448E-4 0.002 0.191 0.17073 0.9488 0.07 0.04762 0.2693 0.7044 0.7142 3032941 ChemDiv3_010522 CCc1ccc(NC(=O)CC2N(C3CC3)C(=O)N(C2=O)c4cccc(C)c4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O07 compound treatment 0.114 0.10237 0.5336 0.173 0.15273 0.8487 0.179 0.15662 0.8857 1.3095 0.9789 3032943 ChemDiv3_010523 Clc1ccc2c(SCC(=O)NCCCN3CCCCCC3)c4CCCCc4nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O08 compound treatment 0.271 0.25937 1.3519 0.037 0.01673 0.093 -0.16 -0.18238 -1.0314 0.2387 0.1402 3032944 ChemDiv3_010524 CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4cccnc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O09 compound treatment 0.096 0.084374 0.4398 -0.019 -0.03927 -0.2182 -0.06 -0.08238 -0.4659 -0.1411 -0.2084 3032946 ChemDiv3_010525 CCOC(=O)N1CCC(CC1)NC(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O10 compound treatment -0.006 -0.017626 -0.0919 0.006 -0.01427 -0.0793 0.053 0.03062 0.1732 0.0012 0.0054 3032947 ChemDiv3_010526 COCC(=O)Nc1ccc(cc1)c2cn3cccnc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O11 compound treatment -0.012 -0.023626 -0.1231 0.354 0.33373 1.8546 0.437 0.41462 2.3448 2.3534 0.7865 3121584 ChemDiv3_010527 Brc1cc(N2CCCCC2)c3C(=O)c4ccccc4-c5onc1c53 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O12 compound treatment -0.071 -0.082626 -0.4307 0.181 0.16073 0.8932 0.209 0.18662 1.0554 0.8764 0.6052 3032949 ChemDiv3_010528 N=C/1N2C=CSC2=NC(=O)\C1=C/c3ccc(SCc4ccccc4)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O13 compound treatment 0.044 0.032374 0.1687 0.056 0.03573 0.1986 0.013 -0.0093798 -0.053 0.1814 0.6823 3121585 ChemDiv3_010529 C/C(=C\C(=N\c1ccc2OCOc2c1)\c3ccccn3)/c4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O14 compound treatment 0.038 0.026374 0.1375 0.0 -0.02027 -0.1126 0.06 0.03762 0.2127 0.1372 0.4948 3121586 ChemDiv3_010530 CN1CC(=O)N=C1NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc4n(C)c(=O)oc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O15 compound treatment 0.054 0.042374 0.2209 0.121 0.10073 0.5598 0.035 0.01262 0.0714 0.4919 0.8117 3032951 ChemDiv3_010531 Cc1cc(on1)C(=O)NC2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O16 compound treatment 0.048 0.036374 0.1896 -0.039 -0.05927 -0.3294 -0.06 -0.08238 -0.4659 -0.3497 -0.5816 3032952 ChemDiv3_010532 COc1ccc(cc1)C2=NOC(C2)C(=O)N(C)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O17 compound treatment 0.131 0.11937 0.6222 0.086 0.06573 0.3653 -0.054 -0.07638 -0.4319 0.3207 0.3814 3121587 ChemDiv3_010533 CN(C(=O)c1onc(C)c1Cl)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O18 compound treatment 0.076 0.064374 0.3355 -0.042 -0.06227 -0.346 0.038 0.01562 0.0883 0.0449 0.0917 3121588 ChemDiv3_010534 COc1ccccc1C2=NOC(C2)C(=O)Nc3ccccc3C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O19 compound treatment 0.079 0.067374 0.3512 0.207 0.18673 1.0377 0.13 0.10762 0.6086 1.1532 0.9202 3032955 ChemDiv3_010535 CN(C(=O)c1cc2c(C)nc3ccccc3c2o1)c4cc(Cl)ccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O20 compound treatment -0.128 -0.13963 -0.7278 -0.193 -0.21327 -1.1852 0.062 0.03962 0.2241 -0.9751 -0.6922 3121589 ChemDiv3_010536 CCCNC(=O)C1CC(=NO1)c2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O21 compound treatment 0.064 0.052374 0.273 0.133 0.11273 0.6265 0.147 0.12462 0.7048 0.9262 0.9435 3121590 ChemDiv3_010537 CN(CCNC(=O)c1cc2c(C)nc3ccccc3c2o1)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O22 compound treatment 0.081 0.069374 0.3616 -0.062 -0.08227 -0.4572 -0.068 -0.09038 -0.5111 -0.3503 -0.4518 3032958 ChemDiv3_010538 Clc1ccc(cc1)n2nc3oc4ccccc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O23 mock treatment 0.473 0.46137 2.4048 -0.084 -0.10427 -0.5794 0.02 -0.0023798 -0.0135 1.0461 0.4229 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 O24 mock treatment -0.012 -0.023626 -0.1231 0.048 0.02773 0.1541 0.184 0.16162 0.914 0.5456 0.5835 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P01 compound treatment -0.11 -0.12163 -0.6339 0.033 0.01273 0.0707 0.101 0.07862 0.4446 -0.0685 -0.0881 3032960 ChemDiv3_010539 Fc1ccc(Cn2nnc3c(=O)n(Cc4ccc(F)cc4)cnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P02 compound treatment 0.444 0.43237 2.2536 0.439 0.41873 2.327 0.126 0.10362 0.586 2.9829 0.9061 3121591 ChemDiv3_010540 Cc1nn2c(=O)cc(CSc3nc4ccccc4[nH]3)nc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P03 compound treatment 0.118 0.10637 0.5544 0.012 -0.00827 -0.046 -0.082 -0.10438 -0.5903 -0.0472 -0.0582 3121592 ChemDiv3_010541 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P04 compound treatment -0.123 -0.13463 -0.7017 -0.042 -0.06227 -0.346 0.018 -0.0043798 -0.0248 -0.6192 -0.791 3032964 ChemDiv3_010542 Cc1ccc(cc1)S(=O)(=O)c2cn(Cc3cccc(Cl)c3)c4cc5OCOc5cc4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P05 compound treatment 0.067 0.055374 0.2886 0.067 0.04673 0.2597 -0.167 -0.18938 -1.071 -0.3018 -0.2649 3121593 ChemDiv3_010543 CCCC1CCC(CC1)C(=O)n2nc(N)c3cc4ccc(OC)cc4nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P06 compound treatment 0.096 0.084374 0.4398 0.019 -0.00127 -0.0071 0.044 0.02162 0.1223 0.3204 0.7019 3121594 ChemDiv3_010544 Cc1nc2c3ccccc3n4c(CCCC(=O)NC5CCCCC5)nnc4n2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P07 compound treatment 0.035 0.023374 0.1218 -0.006 -0.02627 -0.146 0.026 0.0036202 0.0205 -0.0021 -0.0111 3033016 ChemDiv3_010545 Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)NCCCN4CCN(CC4)c5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P08 compound treatment 0.007 -0.0046255 -0.0241 -0.242 -0.26227 -1.4575 -0.151 -0.17338 -0.9805 -1.4215 -0.8092 3033019 ChemDiv3_010546 COc1cccc(OCC(=O)Nc2c(oc3ccccc23)C(=O)Nc4ccccc4OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P09 compound treatment 0.049 0.037374 0.1948 -0.056 -0.07627 -0.4238 -0.106 -0.12838 -0.726 -0.5514 -0.639 3033021 ChemDiv3_010547 COc1ccc2[nH]c3c(=O)n(CCC(=O)NC4CCCCCC4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P10 compound treatment -0.101 -0.11263 -0.587 -0.013 -0.03327 -0.1849 0.052 0.02962 0.1675 -0.349 -0.5471 3033023 ChemDiv3_010548 Clc1ccc(CNC(=O)c2cnn3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P11 compound treatment -0.112 -0.12363 -0.6444 -0.162 -0.18227 -1.0129 -0.1 -0.12238 -0.6921 -1.3564 -0.9789 3033025 ChemDiv3_010549 CCCSc1nnc(Cn2c(=O)sc3ccccc23)n1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P12 compound treatment 0.025 0.013374 0.0697 -0.129 -0.14927 -0.8295 -0.129 -0.15138 -0.8561 -0.9329 -0.7813 3033026 ChemDiv3_010550 COc1ccc(CCNC(=O)c2cnn3ccccc23)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P13 compound treatment 0.013 0.0013745 0.0072 0.131 0.11073 0.6153 -0.344 -0.36638 -2.0719 -0.8368 -0.3872 3033028 ChemDiv3_010551 CCS(=O)(=O)n1nc(cc1N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P14 compound treatment -0.045 -0.056626 -0.2951 -0.026 -0.04627 -0.2571 0.012 -0.01038 -0.0587 -0.3527 -0.8912 3121595 ChemDiv3_010552 CC1CN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc4ccc(C)cc4)CC(C)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P15 compound treatment 0.147 0.13537 0.7056 0.13 0.10973 0.6098 0.126 0.10362 0.586 1.0978 0.9967 3121596 ChemDiv3_010553 OC(=O)CSc1c2CCCc2nc3cc(ccc13)C(=O)NC4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P16 compound treatment -0.017 -0.028626 -0.1492 -0.012 -0.03227 -0.1793 0.114 0.09162 0.5181 0.1095 0.1926 3033031 ChemDiv3_010554 C(c1ccncc1)c2nnc(N3CCC4(CC3)OCCO4)c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P17 compound treatment -0.23 -0.24163 -1.2594 -0.095 -0.11527 -0.6406 0.023 6.2023E-4 0.0035 -1.0949 -0.7749 3121597 ChemDiv3_010555 COc1ccc2[nH]c3c(=O)n(CCCCC(=O)Nc4ccccc4)c(=S)[nH]c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P18 compound treatment 0.036 0.024374 0.127 0.012 -0.00827 -0.046 0.172 0.14962 0.8461 0.5353 0.6248 3033033 ChemDiv3_010556 Clc1ccc(CCNC(=O)Cn2nc(Cc3cccnc3)c4ccccc4c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P19 compound treatment -0.414 -0.42563 -2.2185 -0.081 -0.10127 -0.5628 -0.25 -0.27238 -1.5404 -2.4951 -0.9044 3121598 ChemDiv3_010557 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccc4OCCOc4c3)n2CCc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P20 compound treatment -0.077 -0.088626 -0.4619 -0.19 -0.21027 -1.1685 0.089 0.06662 0.3767 -0.7238 -0.5518 3033036 ChemDiv3_010558 CCn1c(=O)c(=O)n(CC)c2cc(ccc12)S(=O)(=O)NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P21 compound treatment 0.042 0.030374 0.1583 -0.012 -0.03227 -0.1793 0.203 0.18062 1.0214 0.5776 0.5506 3121599 ChemDiv3_010559 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P22 compound treatment 0.039 0.027374 0.1427 0.26 0.23973 1.3322 0.356 0.33362 1.8867 1.9408 0.8387 3121773 ChemDiv3_010560 CCN1CCN(CC1)C(=O)c2ccc3SCCN(Cc4ccc(C)cc4)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P23 mock treatment -0.026 -0.037626 -0.1961 -0.012 -0.03227 -0.1793 0.0 -0.02238 -0.1266 -0.2898 -0.9847 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2030 P24 mock treatment -0.206 -0.21763 -1.1343 0.12 0.09973 0.5542 0.076 0.05362 0.3032 -0.1598 -0.1231 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A01 compound treatment -0.02 -0.031626 -0.1648 -0.084 -0.10427 -0.5794 0.036 0.01362 0.077 -0.3852 -0.6343 3123044 ChemDiv3_010913 Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc5ccc(F)cc5)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A02 compound treatment -0.158 -0.16963 -0.8841 0.014 -0.00627 -0.0348 0.08 0.05762 0.3259 -0.3424 -0.3632 3033555 ChemDiv3_010914 CCOC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A03 compound treatment 0.037 0.025374 0.1323 0.052 0.03173 0.1763 0.124 0.10162 0.5747 0.51 0.8285 3033768 ChemDiv3_010915 CCc1ccc(cc1)C(=O)c2cnc3cc4OCOc4cc3c2N5CCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A04 compound treatment 0.327 0.31537 1.6438 -0.084 -0.10427 -0.5794 0.13 0.10762 0.6086 0.9659 0.5232 3033769 ChemDiv3_010916 O=C(N1CCC(Cc2ccccc2)CC1)c3ccc4Sc5ccccc5C(=O)Nc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A05 compound treatment -0.23 -0.24163 -1.2594 0.044 0.02373 0.1319 0.17 0.14762 0.8348 -0.169 -0.1114 3033771 ChemDiv3_010917 COc1ccc(cc1)S(=O)(=O)c2c(cnc3cc(OC)c(OC)cc23)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A06 compound treatment 0.132 0.12037 0.6274 0.061 0.04073 0.2263 -0.091 -0.11338 -0.6412 0.1227 0.1327 3033773 ChemDiv3_010918 Cc1cc2n(Cc3ccc(Cl)cc3)c(cc2o1)C(=O)NCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A07 compound treatment 0.007 -0.0046255 -0.0241 -0.02 -0.04027 -0.2238 0.303 0.28062 1.587 0.7731 0.4823 3033775 ChemDiv3_010919 COC(=O)c1cc2oc(C)cc2n1CC(=O)N3CC(C)CC(C)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A08 compound treatment -0.063 -0.074626 -0.389 0.074 0.05373 0.2986 -0.127 -0.14938 -0.8448 -0.5399 -0.5527 3033776 ChemDiv3_010920 O=C(Cn1ncc2ccccc12)NCc3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A09 compound treatment 0.177 0.16537 0.862 -0.042 -0.06227 -0.346 -0.026 -0.04838 -0.2736 0.1399 0.1445 3123045 ChemDiv3_010921 COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc3ccc(C)c(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A10 compound treatment 0.257 0.24537 1.2789 0.374 0.35373 1.9657 0.263 0.24062 1.3608 2.6589 0.9807 3033778 ChemDiv3_010922 CC(CCc1ccco1)NC(=O)Cn2ncc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A11 compound treatment -0.007 -0.018626 -0.0971 0.111 0.09073 0.5042 -0.128 -0.15038 -0.8504 -0.2559 -0.2576 3123046 ChemDiv3_010923 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)NC(C)c4ccc5OCCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A12 compound treatment 1.414 1.4024 6.1051 0.994 0.97373 5.4112 0.242 0.21962 1.242 7.366 0.8926 3033780 ChemDiv3_010924 COC(=O)c1cc2sccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A13 compound treatment 0.025 0.013374 0.0697 -0.029 -0.04927 -0.2738 0.131 0.10862 0.6143 0.2368 0.3503 3123047 ChemDiv3_010925 CC(C)CCNC(=O)C1CCN(CC1)C(=O)c2cc3sccc3n2Cc4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A14 compound treatment -0.21 -0.22163 -1.1552 0.021 7.2998E-4 0.0041 -0.096 -0.11838 -0.6695 -1.0511 -0.7873 3033782 ChemDiv3_010926 CCc1ccc(NC(=O)Cn2c(cc3oc4ccccc4c23)C(=O)OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A15 compound treatment 0.095 0.083374 0.4346 -0.086 -0.10627 -0.5906 0.131 0.10862 0.6143 0.2646 0.2766 3123048 ChemDiv3_010927 CCCNC(=O)c1ccc(CSc2nc3cnccc3[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A16 compound treatment -0.084 -0.095626 -0.4984 -0.065 -0.08527 -0.4739 0.296 0.27362 1.5474 0.332 0.1961 3123049 ChemDiv3_010928 CCC(C(=O)NCc1cc(Br)ccc1OC)n2nc(C)n3c4ccoc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A17 compound treatment 0.007 -0.0046255 -0.0241 0.176 0.15573 0.8654 0.134 0.11162 0.6312 0.8502 0.7935 3033784 ChemDiv3_010929 O=C(NCc1cccnc1)C2=CCN(CC2)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A18 compound treatment 0.194 0.18237 0.9506 0.088 0.06773 0.3764 0.247 0.22462 1.2703 1.4995 0.9196 3123050 ChemDiv3_010930 CN(Cc1ccccc1)c2nnc(NC(=O)c3cc(on3)c4ccc(Br)cc4)s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A19 compound treatment -0.04 -0.051626 -0.2691 -0.02 -0.04027 -0.2238 -0.027 -0.04938 -0.2793 -0.4458 -0.9956 3033786 ChemDiv3_010931 CCc1nn(CC(=O)N2CCC(CC2)C(=O)N)c(=O)c3cc4sccc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A20 compound treatment -0.17 -0.18163 -0.9467 0.048 0.02773 0.1541 0.137 0.11462 0.6482 -0.0834 -0.072 3123051 ChemDiv3_010932 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A21 compound treatment -0.099 -0.11063 -0.5766 -0.03 -0.05027 -0.2794 -0.026 -0.04838 -0.2736 -0.6522 -0.9361 3033788 ChemDiv3_010933 CCCNC(=O)Cn1ncn2c3cc(CC)sc3cc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A22 compound treatment 0.069 0.057374 0.299 0.136 0.11573 0.6431 0.165 0.14262 0.8065 1.0096 0.94 3123230 ChemDiv3_010934 COc1ccc(CNC(=O)C2CSC(=O)C2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A23 mock treatment -0.034 -0.045626 -0.2378 0.138 0.11773 0.6542 0.125 0.10262 0.5803 0.5755 0.635 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 A24 mock treatment -0.037 -0.048626 -0.2534 0.093 0.07273 0.4042 0.021 -0.0013798 -0.0078 0.0825 0.1729 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B01 compound treatment -0.425 -0.43663 -2.2758 -0.027 -0.04727 -0.2627 -0.133 -0.15538 -0.8787 -1.9729 -0.8041 3123231 ChemDiv3_010935 O=C(Cn1c(cc2ccccc12)c3cccs3)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B02 compound treatment -0.007 -0.018626 -0.0971 -0.064 -0.08427 -0.4683 0.042 0.01962 0.111 -0.2624 -0.5344 3033790 ChemDiv3_010936 CCc1ccc(NC(=O)Cn2cnc3n(ncc3c2=O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B03 compound treatment -0.146 -0.15763 -0.8216 0.025 0.00473 0.0263 0.667 0.64462 3.6454 1.6455 0.4403 1116319 ChemDiv3_010937 OC(=O)C1CSC(N1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B04 compound treatment 0.025 0.013374 0.0697 -0.006 -0.02627 -0.146 -0.006 -0.02838 -0.1605 -0.1367 -0.5999 3123232 ChemDiv3_010938 COc1ccccc1NC(=O)Cn2cnc3n(ncc3c2=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B05 compound treatment 0.013 0.0013745 0.0072 0.144 0.12373 0.6876 0.124 0.10162 0.5747 0.7329 0.8178 3123233 ChemDiv3_010939 CCOc1cc2sc(nc2cc1Br)N3CCC(CC3)C(=O)N(C)Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B06 compound treatment 0.105 0.093374 0.4867 0.055 0.03473 0.193 0.302 0.27962 1.5813 1.3054 0.7837 3033793 ChemDiv3_010940 O=C(Nc1ccc2nc3CCCCn3c(=O)c2c1)c4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B07 compound treatment -0.062 -0.073626 -0.3838 0.09 0.06973 0.3875 -0.02 -0.04238 -0.2397 -0.1362 -0.2286 3123234 ChemDiv3_010941 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc3c(c2)sc4nc(cn43)c5ccc(OC)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B08 compound treatment 0.0 -0.011626 -0.0606 0.205 0.18473 1.0266 -0.019 -0.04138 -0.234 0.4226 0.4007 3033795 ChemDiv3_010942 Clc1ccc(OCC(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B09 compound treatment 0.063 0.051374 0.2678 -0.173 -0.19327 -1.074 -0.195 -0.21738 -1.2293 -1.1752 -0.7104 3033829 ChemDiv3_010943 N/C(=N/O)/c1ccccc1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B10 compound treatment -0.07 -0.081626 -0.4255 -0.053 -0.07327 -0.4072 0.076 0.05362 0.3032 -0.3056 -0.4614 3033831 ChemDiv3_010944 CCNc1sc(nc1S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B11 compound treatment 0.176 0.16437 0.8568 0.143 0.12273 0.682 0.234 0.21162 1.1968 1.5794 0.9736 3033833 ChemDiv3_010945 FC(F)(F)c1cccc(NC(=O)NC2CN(Cc3ccccc3)C(=O)C2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B12 compound treatment 0.025 0.013374 0.0697 0.068 0.04773 0.2652 0.047 0.02462 0.1392 0.2738 0.8901 3033834 ChemDiv3_010946 O=C(NC1CCCCCC1)c2ccc3c(=O)n4CCCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B13 compound treatment -0.151 -0.16263 -0.8476 -0.086 -0.10627 -0.5906 0.006 -0.01638 -0.0926 -0.8838 -0.8521 3033835 ChemDiv3_010947 CCc1cccc(NC(=O)CCCN2C(=O)COc3ccc(C)cc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B14 compound treatment 0.0 -0.011626 -0.0606 0.109 0.08873 0.4931 0.075 0.05262 0.2976 0.4215 0.7279 3033837 ChemDiv3_010948 O=C(NCCC1=CCCCC1)c2cc3CSc4ccccc4-c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B15 compound treatment -0.053 -0.064626 -0.3368 0.717 0.69673 3.8718 0.007 -0.01538 -0.087 1.9907 0.5121 3033838 ChemDiv3_010949 COC(=O)c1ccc(c2ccco2)n1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B16 compound treatment -0.199 -0.21063 -1.0978 -0.156 -0.17627 -0.9796 -0.188 -0.21038 -1.1897 -1.8863 -0.9969 3123235 ChemDiv3_010950 CN(CC(=O)Nc1ccc(NC(=O)C)cc1)S(=O)(=O)c2ccc3nc(C)sc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B17 compound treatment 0.057 0.045374 0.2365 0.23 0.20973 1.1655 0.046 0.02362 0.1336 0.8866 0.7408 3033841 ChemDiv3_010951 COC(CNC(=O)Cn1nc(c2ccccc2)c3cc(Cl)ccc13)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B18 compound treatment 0.036 0.024374 0.127 0.312 0.29173 1.6212 0.099 0.07662 0.4333 1.2595 0.7484 3123236 ChemDiv3_010952 COc1ccc(OC)c(CCNC(=O)Cn2cccc2C(=O)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B19 compound treatment 0.026 0.014374 0.0749 0.148 0.12773 0.7098 -0.007 -0.02938 -0.1661 0.3571 0.4873 3033842 ChemDiv3_010953 O=C(N1CCOc2ccccc12)n3ccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B20 compound treatment -0.012 -0.023626 -0.1231 0.023 0.00273 0.0152 -0.042 -0.06438 -0.3641 -0.2725 -0.7086 3123237 ChemDiv3_010954 CCCNC(=O)c1ccc2nc(sc2c1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B21 compound treatment -0.021 -0.032626 -0.1701 0.019 -0.00127 -0.0071 0.13 0.10762 0.6086 0.2491 0.3942 3033845 ChemDiv3_010955 OC(=O)C1CCN(CC1)C(=O)N2CCOc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B22 compound treatment -0.146 -0.15763 -0.8216 -0.006 -0.02627 -0.146 -0.157 -0.17938 -1.0144 -1.1443 -0.8712 3123238 ChemDiv3_010956 CCc1cccc(NC(=O)c2sc(nc2C)n3cccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B23 mock treatment 0.174 0.16237 0.8463 0.12 0.09973 0.5542 0.224 0.20162 1.1402 1.4669 0.9623 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 B24 mock treatment 0.006 -0.0056255 -0.0293 0.043 0.02273 0.1263 0.047 0.02462 0.1392 0.1364 0.7168 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C01 compound treatment 0.058 0.046374 0.2417 0.088 0.06773 0.3764 -0.113 -0.13538 -0.7656 -0.0852 -0.096 3123239 ChemDiv3_010957 COc1ccccc1NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C02 compound treatment -0.087 -0.098626 -0.5141 -0.131 -0.15127 -0.8406 -0.066 -0.08838 -0.4998 -1.0707 -0.9691 1358704 ChemDiv3_010958 CCOC(=O)Cc1csc(NC(=O)Nc2cccs2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C03 compound treatment -0.124 -0.13563 -0.7069 0.03 0.00973 0.0541 0.099 0.07662 0.4333 -0.1268 -0.1525 3123240 ChemDiv3_010959 CC1CCN(CC1)c2c(cnc3ccccc23)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C04 compound treatment 0.006 -0.0056255 -0.0293 -0.038 -0.05827 -0.3238 0.282 0.25962 1.4682 0.6438 0.4281 3033848 ChemDiv3_010960 CNC(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C05 compound treatment -0.006 -0.017626 -0.0919 -0.007 -0.02727 -0.1515 0.166 0.14362 0.8122 0.3284 0.395 3123241 ChemDiv3_010961 O=C(NCc1ccccc1)c2cc3CS(=O)(=O)Cc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C06 compound treatment 0.096 0.084374 0.4398 -0.062 -0.08227 -0.4572 0.026 0.0036202 0.0205 0.0018 0.0028 3033851 ChemDiv3_010962 CC(CCc1ccccc1)NC(=O)c2c(C)c(C)sc2n3cccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C07 compound treatment 0.049 0.037374 0.1948 0.091 0.07073 0.3931 0.161 0.13862 0.7839 0.792 0.8816 3123242 ChemDiv3_010963 COC(=O)c1cc2oc(C)cc2n1CC(=O)Cc3ccc(OC)cc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C08 compound treatment 0.054 0.042374 0.2209 -0.025 -0.04527 -0.2516 0.079 0.05662 0.3202 0.1671 0.3608 3123243 ChemDiv3_010964 O=C(Cn1ncc2ccccc12)NC3CCCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C09 compound treatment 0.206 0.19437 1.0131 0.037 0.01673 0.093 0.117 0.09462 0.5351 0.9475 0.8243 3033852 ChemDiv3_010965 CCC(C(=O)NC1CCCCC1)n2c(cc3sc(Cl)cc23)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C10 compound treatment 0.08 0.068374 0.3564 0.0 -0.02027 -0.1126 0.102 0.07962 0.4503 0.4007 0.6847 3123244 ChemDiv3_010966 COc1ccc(Br)cc1CNC(=O)c2cc(c3ccccc3)n(C)c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C11 compound treatment 0.143 0.13137 0.6848 0.162 0.14173 0.7876 0.166 0.14362 0.8122 1.319 0.9974 3123245 ChemDiv3_010967 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)N4CCN(CC4)c5cccc(C)c5C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C12 compound treatment -0.075 -0.086626 -0.4515 0.0 -0.02027 -0.1126 -0.039 -0.06138 -0.3471 -0.5261 -0.9062 3033882 ChemDiv3_010968 COC(=O)c1cc2sc(Cl)cc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C13 compound treatment 0.051 0.039374 0.2052 0.06 0.03973 0.2208 0.041 0.01862 0.1053 0.3068 0.9607 3033883 ChemDiv3_010969 CC1CCCCC1NC(=O)C2CCN(CC2)C(=O)c3cc4sccc4n3Cc5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C14 compound treatment -0.012 -0.023626 -0.1231 -0.064 -0.08427 -0.4683 0.082 0.05962 0.3372 -0.1468 -0.2488 3033884 ChemDiv3_010970 COC(=O)c1cc2oc3ccccc3c2n1CC(=O)N4CCCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C15 compound treatment -0.133 -0.14463 -0.7538 -0.023 -0.04327 -0.2405 -0.156 -0.17838 -1.0088 -1.1565 -0.902 3033886 ChemDiv3_010971 CC1CCN(CC1)C(=O)c2ccc(CSc3nc4cnccc4[nH]3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C16 compound treatment 0.057 0.045374 0.2365 0.205 0.18473 1.0266 0.071 0.04862 0.275 0.888 0.8156 3033887 ChemDiv3_010972 CCc1nn(CC(=O)OC)c(=O)c2cc3sc(C)cc3n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C17 compound treatment 0.012 3.7448E-4 0.002 0.092 0.07173 0.3986 -0.107 -0.12938 -0.7317 -0.1912 -0.2294 3033889 ChemDiv3_010973 Cc1ccc(C)c(NC(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C18 compound treatment 0.07 0.058374 0.3043 0.031 0.01073 0.0596 0.361 0.33862 1.915 1.3157 0.6782 3123246 ChemDiv3_010974 Fc1cccc2sc3c(ncnc3c12)N4CCC(CC4)C(=O)N5CCCCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C19 compound treatment 0.036 0.024374 0.127 0.166 0.14573 0.8098 0.217 0.19462 1.1006 1.1764 0.8572 3033890 ChemDiv3_010975 CN(Cc1ccccc1)C(=O)CCCn2nc(C)n3c4ccsc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C20 compound treatment -0.099 -0.11063 -0.5766 0.03 0.00973 0.0541 0.335 0.31262 1.7679 0.719 0.3865 3123247 ChemDiv3_010976 O=C(NCc1ccccc1)c2ccc(cc2)N3C(=O)Cn4c(cc5sccc45)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C21 compound treatment 0.034 0.022374 0.1166 0.048 0.02773 0.1541 0.277 0.25462 1.4399 0.9876 0.6798 3033892 ChemDiv3_010977 CCc1cc2c(cc3c(=O)n(CC(=O)N4CC(C)CC(C)C4)nc(CC)n23)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C22 compound treatment 0.006 -0.0056255 -0.0293 0.089 0.06873 0.3819 -0.019 -0.04138 -0.234 0.0685 0.1526 3123248 ChemDiv3_010978 CCc1ccc(NCc2cn(nc2c3cccs3)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C23 mock treatment -0.047 -0.058626 -0.3056 0.029 0.00873 0.0485 0.026 0.0036202 0.0205 -0.1366 -0.4405 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 C24 mock treatment 0.069 0.057374 0.299 0.012 -0.00827 -0.046 0.006 -0.01638 -0.0926 0.0926 0.2928 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D01 compound treatment -0.364 -0.37563 -1.9578 -0.322 -0.34227 -1.9021 0.244 0.22162 1.2533 -1.5049 -0.501 3123249 ChemDiv3_010979 CC1CC(C)CN(CCCNC(=O)Cn2ncn3c(C)c(C(=O)NC4CCCCC4)c(C)c3c2=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D02 compound treatment 0.164 0.15237 0.7942 0.127 0.10673 0.5931 0.133 0.11062 0.6256 1.1622 0.9915 3033894 ChemDiv3_010980 O=c1n(CC#N)cnc2n(ncc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D03 compound treatment 0.006 -0.0056255 -0.0293 0.081 0.06073 0.3375 0.068 0.04562 0.258 0.3269 0.7676 3033896 ChemDiv3_010981 COC(=O)Cn1ncn2nc(cc2c1=O)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D04 compound treatment -0.047 -0.058626 -0.3056 -0.012 -0.03227 -0.1793 0.04 0.01762 0.0996 -0.2224 -0.6043 3123250 ChemDiv3_010982 CC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D05 compound treatment 0.061 0.049374 0.2574 -0.042 -0.06227 -0.346 0.081 0.05862 0.3315 0.1402 0.2577 3033898 ChemDiv3_010983 C/C(=N\O)/c1ccc(O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D06 compound treatment -0.048 -0.059626 -0.3108 -0.012 -0.03227 -0.1793 0.03 0.0076202 0.0431 -0.2581 -0.7142 3123251 ChemDiv3_010984 COc1ccc(CC(=O)Nc2ccc3nc4CCCCn4c(=O)c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D07 compound treatment -0.139 -0.15063 -0.7851 -0.592 -0.61227 -3.4025 0.333 0.31062 1.7566 -1.4035 -0.3591 3123252 ChemDiv3_010985 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)sc4nc(cn43)c5ccc(OC)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D08 compound treatment 0.161 0.14937 0.7786 0.006 -0.01427 -0.0793 -0.088 -0.11038 -0.6242 0.0433 0.0433 3033901 ChemDiv3_010986 CN(CC(=O)N1CCC(=CC1)c2ccccc2)S(=O)(=O)c3c[nH]cn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D09 compound treatment -0.013 -0.024626 -0.1284 -0.03 -0.05027 -0.2794 0.032 0.0096202 0.0544 -0.204 -0.6533 3033902 ChemDiv3_010987 OC(=O)c1csc2CCCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D10 compound treatment 0.047 0.035374 0.1844 -0.066 -0.08627 -0.4794 0.207 0.18462 1.0441 0.4324 0.3717 3123253 ChemDiv3_010988 CCN(Cc1ccccc1)c2sc(nc2S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D11 compound treatment -0.081 -0.092626 -0.4828 0.106 0.08573 0.4764 0.069 0.04662 0.2636 0.1485 0.2041 3033904 ChemDiv3_010989 Fc1ccc(NC(=O)NC2CN(Cc3ccccc3)C(=O)C2)c(F)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D12 compound treatment 0.127 0.11537 0.6014 0.268 0.24773 1.3767 0.051 0.02862 0.1619 1.2355 0.8177 3123254 ChemDiv3_010990 CCN1CCCC1CNC(=O)c2ccc3c(=O)n4CCCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D13 compound treatment 0.163 0.15137 0.789 0.304 0.28373 1.5767 0.013 -0.0093798 -0.053 1.3352 0.757 3033905 ChemDiv3_010991 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D14 compound treatment 0.068 0.056374 0.2938 -0.098 -0.11827 -0.6572 0.006 -0.01638 -0.0926 -0.2633 -0.3627 3123255 ChemDiv3_010992 CN(C(=O)c1cc2CSc3ccccc3-c2s1)c4cc(C)ccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D15 compound treatment -0.018 -0.029626 -0.1544 0.025 0.00473 0.0263 -0.132 -0.15438 -0.873 -0.578 -0.6517 3033907 ChemDiv3_010993 COC(=O)c1cnn(c1N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D16 compound treatment 0.067 0.055374 0.2886 -0.024 -0.04427 -0.246 -0.087 -0.10938 -0.6186 -0.3325 -0.4583 3123256 ChemDiv3_010994 COC(=O)c1ccc2N3CCCC3C(=O)N(Cc4nc(oc4C)c5cccc(Cl)c5)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D17 compound treatment 0.08 0.068374 0.3564 0.0 -0.02027 -0.1126 0.031 0.0086202 0.0487 0.1689 0.448 3033909 ChemDiv3_010995 Cc1ccc(Cn2c3ccccc3c4cn[nH]c(=O)c24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D18 compound treatment 0.006 -0.0056255 -0.0293 0.153 0.13273 0.7376 0.013 -0.0093798 -0.053 0.3783 0.5112 3123257 ChemDiv3_010996 O=C(Cn1cccc1C(=O)c2ccccc2)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D19 compound treatment 0.012 3.7448E-4 0.002 0.234 0.21373 1.1877 -0.133 -0.15538 -0.8787 0.1795 0.1215 3033942 ChemDiv3_010997 COC(=O)Cn1ncc2c3ccccc3n(Cc4cc(C)ccc4C)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D20 compound treatment 0.013 0.0013745 0.0072 0.137 0.11673 0.6487 -0.129 -0.15138 -0.8561 -0.1156 -0.1076 3033944 ChemDiv3_010998 CCNC(=O)c1ccc2nc(sc2c1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D21 compound treatment -0.035 -0.046626 -0.243 -0.03 -0.05027 -0.2794 0.172 0.14962 0.8461 0.1869 0.2024 3033945 ChemDiv3_010999 COC(=O)Cn1c(=O)c2cccn2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D22 compound treatment 0.04 0.028374 0.1479 0.085 0.06473 0.3597 0.061 0.03862 0.2184 0.4192 0.9397 3033947 ChemDiv3_011000 Fc1cccc(NC(=O)C2CCN(CC2)c3ncnc4c3sc5cccc(F)c54)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D23 mock treatment -0.154 -0.16563 -0.8633 0.025 0.00473 0.0263 -0.09 -0.11238 -0.6355 -0.8502 -0.7928 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 D24 mock treatment 0.158 0.14637 0.7629 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 0.3024 0.3869 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E01 compound treatment -0.068 -0.079626 -0.415 -0.101 -0.12127 -0.6739 0.014 -0.0083798 -0.0474 -0.6561 -0.8274 3033948 ChemDiv3_011001 CC(C)n1c(SCC(=O)N)nc2c3ccccc3oc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E02 compound treatment -0.15 -0.16163 -0.8424 -0.02 -0.04027 -0.2238 0.163 0.14062 0.7952 -0.1565 -0.1326 3033950 ChemDiv3_011002 CC1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E03 compound treatment 0.124 0.11237 0.5857 -0.047 -0.06727 -0.3738 0.008 -0.01438 -0.0813 0.0754 0.1078 3033951 ChemDiv3_011003 O=S(=O)(c1ccccc1)c2cnc3ccccc3c2N4CCC5(CC4)OCCO5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E04 compound treatment 0.052 0.040374 0.2104 -0.033 -0.05327 -0.296 0.14 0.11762 0.6652 0.3346 0.4415 3120200 ChemDiv3_011004 CCC(Cc1ccccc1)NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E05 compound treatment 0.146 0.13437 0.7004 0.082 0.06173 0.343 0.0 -0.02238 -0.1266 0.5294 0.67 3033953 ChemDiv3_011005 O=C(NC1CCCC1)c2cc3CS(=O)(=O)Cc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E06 compound treatment 0.072 0.060374 0.3147 0.243 0.22273 1.2377 0.382 0.35962 2.0337 2.0705 0.8622 3120201 ChemDiv3_011006 COc1ccc(NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E07 compound treatment -0.027 -0.038626 -0.2013 0.089 0.06873 0.3819 -0.014 -0.03638 -0.2057 -0.0145 -0.0303 3033955 ChemDiv3_011007 COC(=O)c1cc2sccc2n1CC(=O)Nc3ccc(cc3)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E08 compound treatment 0.155 0.14337 0.7473 0.236 0.21573 1.1988 0.006 -0.01638 -0.0926 1.0701 0.7559 3120202 ChemDiv3_011008 CC(CNC(=O)Cn1ncc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E09 compound treatment 0.0 -0.011626 -0.0606 -0.012 -0.03227 -0.1793 -0.038 -0.06038 -0.3415 -0.3357 -0.8598 3120203 ChemDiv3_011009 COC(=O)c1cc2ccsc2n1CC(=O)N3CCCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E10 compound treatment 0.013 0.0013745 0.0072 -0.083 -0.10327 -0.5739 -0.019 -0.04138 -0.234 -0.4623 -0.7459 3033957 ChemDiv3_011010 Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4cccc5ccccc45)cc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E11 compound treatment 0.007 -0.0046255 -0.0241 -0.097 -0.11727 -0.6517 -0.06 -0.08238 -0.4659 -0.6591 -0.8224 3120204 ChemDiv3_011011 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E12 compound treatment 0.088 0.076374 0.3981 0.091 0.07073 0.3931 0.148 0.12562 0.7104 0.8669 0.9587 3033959 ChemDiv3_011012 Cn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E13 compound treatment -0.079 -0.090626 -0.4724 -0.088 -0.10827 -0.6017 -0.056 -0.07838 -0.4433 -0.876 -0.9909 3120205 ChemDiv3_011013 Fc1ccc(Cn2c(cc3sccc23)C(=O)N4CCC(CC4)C(=O)NCCC5=CCCCC5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E14 compound treatment -0.142 -0.15363 -0.8007 0.169 0.14873 0.8265 -0.235 -0.25738 -1.4555 -0.8255 -0.4449 3120206 ChemDiv3_011014 COC(=O)c1cc2oc3ccccc3c2n1CC(=O)NCCC4=CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E15 compound treatment -0.068 -0.079626 -0.415 0.107 0.08673 0.482 -0.225 -0.24738 -1.399 -0.769 -0.5004 3033962 ChemDiv3_011015 CC1CC(C)CN(C1)C(=O)c2ccc(CSc3nc4cnccc4[nH]3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E16 compound treatment 0.039 0.027374 0.1427 0.115 0.09473 0.5264 0.13 0.10762 0.6086 0.7377 0.9027 3120207 ChemDiv3_011016 CCc1cc2c(cc3c(=O)[nH]ncn23)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E17 compound treatment -0.074 -0.085626 -0.4463 -0.042 -0.06227 -0.346 0.061 0.03862 0.2184 -0.3314 -0.5473 3120208 ChemDiv3_011017 CCc1nnc(NC(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E18 compound treatment -0.02 -0.031626 -0.1648 0.23 0.20973 1.1655 0.13 0.10762 0.6086 0.9291 0.7011 3033965 ChemDiv3_011018 CCc1ccc(NC(=O)c2sccc2n3cccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E19 compound treatment 0.0 -0.011626 -0.0606 0.058 0.03773 0.2097 0.126 0.10362 0.586 0.4244 0.6787 3120209 ChemDiv3_011019 CC(C)NC(=O)CCCn1nc(C)n2c3ccsc3cc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E20 compound treatment 0.013 0.0013745 0.0072 -0.092 -0.11227 -0.6239 0.058 0.03562 0.2014 -0.2398 -0.3657 3033967 ChemDiv3_011020 Cc1cc(=O)nc2c3ccccc3n(CC(=O)N4CCCC4)n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E21 compound treatment 0.099 0.087374 0.4554 0.042 0.02173 0.1208 -0.072 -0.09438 -0.5337 0.0245 0.0344 3034002 ChemDiv3_011021 CCOC(=O)N1CCC(CC1)NC(=O)Cn2nc(CC)n3c4cc(CC)sc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E22 compound treatment -0.287 -0.29863 -1.5565 -0.471 -0.49127 -2.7301 -0.435 -0.45738 -2.5866 -3.9682 -0.9749 3034004 ChemDiv3_011022 Fc1ccc(NCc2cn(nc2c3cccs3)c4ccccc4)c(F)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E23 mock treatment 0.145 0.13337 0.6952 0.0 -0.02027 -0.1126 0.166 0.14362 0.8122 0.8053 0.7491 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 E24 mock treatment 0.077 0.065374 0.3407 -0.053 -0.07327 -0.4072 0.095 0.07262 0.4107 0.1988 0.2961 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F01 compound treatment -0.187 -0.19863 -1.0353 -0.069 -0.08927 -0.4961 -0.212 -0.23438 -1.3255 -1.6494 -0.9406 3034005 ChemDiv3_011023 Clc1ccccc1CNC(=O)C2=CSCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F02 compound treatment -0.065 -0.076626 -0.3994 -0.007 -0.02727 -0.1515 -0.02 -0.04238 -0.2397 -0.4565 -0.9319 3034007 ChemDiv3_011024 Clc1ccc(Cn2cnc3n(ncc3c2=O)c4ccc(Cl)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F03 compound treatment -0.2 -0.21163 -1.103 0.0 -0.02027 -0.1126 0.178 0.15562 0.8801 -0.1938 -0.1369 3034009 ChemDiv3_011025 CCc1ccc(CNC(=O)CN2C(=O)CSc3ncccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F04 compound treatment 0.063 0.051374 0.2678 0.154 0.13373 0.7432 0.141 0.11862 0.6708 0.971 0.9369 3034010 ChemDiv3_011026 CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F05 compound treatment 0.14 0.12837 0.6691 0.16 0.13973 0.7765 0.189 0.16662 0.9423 1.3786 0.9902 3034012 ChemDiv3_011027 OC(=O)c1ccc2nc(sc2c1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F06 compound treatment -0.043 -0.054626 -0.2847 0.075 0.05473 0.3041 0.268 0.24562 1.389 0.8132 0.5607 3120210 ChemDiv3_011028 COc1ccc(/C=C/C(=O)Nc2ccc3nc4CCCCn4c(=O)c3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F07 compound treatment 0.086 0.074374 0.3877 0.006 -0.01427 -0.0793 0.162 0.13962 0.7896 0.6339 0.7177 3034013 ChemDiv3_011029 CCOC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(C)cc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F08 compound treatment 0.079 0.067374 0.3512 -0.058 -0.07827 -0.435 -0.018 -0.04038 -0.2284 -0.1802 -0.2984 3120211 ChemDiv3_011030 CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F09 compound treatment 0.19 0.17837 0.9297 0.11 0.08973 0.4986 0.107 0.08462 0.4785 1.101 0.9504 3034015 ChemDiv3_011031 Cc1c(oc2CCCC(=O)c12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F10 compound treatment -0.059 -0.070626 -0.3681 0.13 0.10973 0.6098 -0.019 -0.04138 -0.234 0.0044 0.0059 3120212 ChemDiv3_011032 CCNc1sc(nc1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F11 compound treatment -0.077 -0.088626 -0.4619 -0.068 -0.08827 -0.4905 -0.101 -0.12338 -0.6977 -0.9527 -0.9822 3034018 ChemDiv3_011033 CC1(CC(=O)c2cc(O)ccc2O1)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F12 compound treatment -0.006 -0.017626 -0.0919 0.048 0.02773 0.1541 0.059 0.03662 0.2071 0.1555 0.5675 3120213 ChemDiv3_011034 CCc1ccc(NC(=O)c2ccc3c(=O)n4CCCCCc4nc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F13 compound treatment -0.227 -0.23863 -1.2438 -0.028 -0.04827 -0.2682 0.085 0.06262 0.3541 -0.6685 -0.5062 3034020 ChemDiv3_011035 COC(=O)c1ccc([nH]1)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F14 compound treatment -0.101 -0.11263 -0.587 -0.146 -0.16627 -0.924 0.067 0.04462 0.2523 -0.7267 -0.6469 3120214 ChemDiv3_011036 CCN(C(=O)c1cc2CSc3ccccc3-c2s1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F15 compound treatment -0.17 -0.18163 -0.9467 -0.038 -0.05827 -0.3238 0.589 0.56662 3.2043 1.1165 0.3326 3034022 ChemDiv3_011037 CNC(=O)C1CCN(CC1)S(=O)(=O)c2ccc3n(C4CCCC4)c(C)nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F16 compound treatment 0.176 0.16437 0.8568 0.076 0.05573 0.3097 0.112 0.08962 0.5068 0.9661 0.9267 3120215 ChemDiv3_011038 O=C(Cn1cccc1C(=O)c2ccccc2)NCc3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F17 compound treatment 0.127 0.11537 0.6014 0.035 0.01473 0.0819 -0.16 -0.18238 -1.0314 -0.201 -0.168 3120216 ChemDiv3_011039 COC(=O)Cn1ncc2c3ccccc3n(Cc4cccc(Cl)c4)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F18 compound treatment -0.05 -0.061626 -0.3212 0.086 0.06573 0.3653 0.085 0.06262 0.3541 0.2299 0.3821 3034024 ChemDiv3_011040 CNC(=O)Cn1cccc1C(=O)c2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F19 compound treatment 0.006 -0.0056255 -0.0293 -0.013 -0.03327 -0.1849 0.331 0.30862 1.7453 0.884 0.5036 3120217 ChemDiv3_011041 OC(=O)CCCn1c2ccccc2c3cn[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F20 compound treatment -0.114 -0.12563 -0.6548 0.093 0.07273 0.4042 0.031 0.0086202 0.0487 -0.1165 -0.1512 3034027 ChemDiv3_011042 O=C(NCCCN1CCCCC1)c2ccc3nc(sc3c2)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F21 compound treatment 0.006 -0.0056255 -0.0293 0.089 0.06873 0.3819 -0.024 -0.04638 -0.2623 0.0522 0.1123 3120218 ChemDiv3_011043 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)N3CCOc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F22 compound treatment 0.128 0.11637 0.6066 0.17 0.14973 0.8321 0.145 0.12262 0.6934 1.231 0.9916 3034029 ChemDiv3_011044 Fc1cccc2sc3c(ncnc3c12)N4CCC(CC4)C(=O)NCc5cccs5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F23 mock treatment 0.149 0.13737 0.716 -0.055 -0.07527 -0.4183 0.099 0.07662 0.4333 0.4221 0.4511 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 F24 mock treatment 0.048 0.036374 0.1896 -0.055 -0.07527 -0.4183 -0.007 -0.02938 -0.1661 -0.228 -0.4668 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G01 compound treatment 0.025 0.013374 0.0697 -0.106 -0.12627 -0.7017 -0.036 -0.05838 -0.3301 -0.5555 -0.7134 3120219 ChemDiv3_011045 CCOc1ccccc1NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CCOC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G02 compound treatment 0.038 0.026374 0.1375 0.071 0.05073 0.2819 -0.014 -0.03638 -0.2057 0.1234 0.3288 3034063 ChemDiv3_011046 Cc1ccc2n(ncc2c1)C(=O)CCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G03 compound treatment -0.056 -0.067626 -0.3525 -0.006 -0.02627 -0.146 -0.046 -0.06838 -0.3867 -0.5111 -0.9408 3034065 ChemDiv3_011047 CCc1ccc2ncc(c(N3CCCC3)c2c1)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G04 compound treatment 0.096 0.084374 0.4398 0.083 0.06273 0.3486 0.16 0.13762 0.7783 0.9045 0.9427 3034066 ChemDiv3_011048 O=C(N1CCN(CC1)c2ccccc2)c3ccc4Sc5ccccc5C(=O)Nc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G05 compound treatment 0.025 0.013374 0.0697 -0.144 -0.16427 -0.9129 0.042 0.01962 0.111 -0.4227 -0.4584 3034067 ChemDiv3_011049 CCCNC(=O)c1cc2CS(=O)(=O)Cc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G06 compound treatment -0.085 -0.096626 -0.5036 0.506 0.48573 2.6993 0.061 0.03862 0.2184 1.3938 0.506 3034069 ChemDiv3_011050 Cc1cc(C)cc(NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G07 compound treatment 0.042 0.030374 0.1583 -0.018 -0.03827 -0.2127 0.082 0.05962 0.3372 0.1633 0.3807 3034070 ChemDiv3_011051 COC(=O)c1cc2sccc2n1Cc3cc(=O)n4ccccc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G08 compound treatment 0.053 0.041374 0.2157 -0.062 -0.08227 -0.4572 0.13 0.10762 0.6086 0.2119 0.2679 3034072 ChemDiv3_011052 CCOC(=O)N1CCN(CC1)C(=O)Cn2ncc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G09 compound treatment -0.04 -0.051626 -0.2691 -0.079 -0.09927 -0.5517 0.077 0.05462 0.3089 -0.2955 -0.4301 3120220 ChemDiv3_011053 CCc1cccc(NC(=O)Cn2c(cc3ccsc23)C(=O)OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G10 compound treatment 0.067 0.055374 0.2886 -0.158 -0.17827 -0.9907 0.12 0.09762 0.5521 -0.0866 -0.074 3034073 ChemDiv3_011054 CCOC(=O)c1sc(N(Cc2nc(oc2C)c3cccc(C)c3)C(=O)C)c(C#N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G11 compound treatment 0.041 0.029374 0.1531 0.077 0.05673 0.3153 -0.013 -0.03538 -0.2001 0.1549 0.3838 3120221 ChemDiv3_011055 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)NC4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G12 compound treatment 1.011 0.99937 5.1816 0.682 0.66173 3.6773 0.902 0.87962 4.9744 7.9867 0.9897 3034076 ChemDiv3_011056 CCn1c(cc2oc(C)cc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G13 compound treatment -0.164 -0.17563 -0.9154 0.032 0.01173 0.0652 0.007 -0.01538 -0.087 -0.5411 -0.587 3120222 ChemDiv3_011057 CCn1c(cc2occc12)C(=O)N3CCC(CC3)C(=O)NCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G14 compound treatment -0.161 -0.17263 -0.8998 -0.151 -0.17127 -0.9518 0.02 -0.0023798 -0.0135 -1.0768 -0.8221 3034078 ChemDiv3_011058 COC(=O)c1cc2oc3ccccc3c2n1CC(=O)N(C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G15 compound treatment -0.03 -0.041626 -0.217 -0.031 -0.05127 -0.2849 0.033 0.01062 0.0601 -0.2551 -0.7025 3120223 ChemDiv3_011059 CCOc1ccc2nc(sc2c1)N3CCCC(C3)C(=O)Nc4ccc(C)cc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G16 compound treatment -0.019 -0.030626 -0.1596 0.03 0.00973 0.0541 0.237 0.21462 1.2137 0.6398 0.5221 3034080 ChemDiv3_011060 COC(=O)c1cc2oc(C)cc2n1CC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G17 compound treatment 0.023 0.011374 0.0593 -0.031 -0.05127 -0.2849 0.113 0.09062 0.5125 0.1656 0.281 3120224 ChemDiv3_011061 CC(C)N(Cc1ccccc1)C(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G18 compound treatment -0.144 -0.15563 -0.8112 0.18 0.15973 0.8876 0.108 0.08562 0.4842 0.3237 0.2497 3034082 ChemDiv3_011062 Cc1c(oc2CCCC(=O)c12)C(=O)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G19 compound treatment 0.139 0.12737 0.6639 -0.035 -0.05527 -0.3071 -0.056 -0.07838 -0.4433 -0.0499 -0.0584 3120225 ChemDiv3_011063 CCCN(CCC)C(=O)Cn1nc(CC)n2c3cc(C)sc3cc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G20 compound treatment -0.06 -0.071626 -0.3733 -0.031 -0.05127 -0.2849 -0.031 -0.05338 -0.3019 -0.5543 -0.9929 3120226 ChemDiv3_011064 CCCNC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G21 compound treatment 0.037 0.025374 0.1323 0.138 0.11773 0.6542 0.069 0.04662 0.2636 0.6063 0.8448 3034084 ChemDiv3_011065 CCc1cc2c(cc3c(=O)n(CC(=O)NC(C)c4ccc5OCCOc5c4)nc(CC)n23)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G22 compound treatment 0.108 0.096374 0.5023 0.054 0.03373 0.1874 0.019 -0.0033798 -0.0191 0.3872 0.7217 3120227 ChemDiv3_011066 O=C(CCCn1ncn2c3ccoc3cc2c1=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G23 mock treatment 0.08 0.068374 0.3564 0.08 0.05973 0.3319 -0.006 -0.02838 -0.1605 0.3047 0.5943 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 G24 mock treatment 0.016 0.0043745 0.0228 0.006 -0.01427 -0.0793 -0.072 -0.09438 -0.5337 -0.3408 -0.631 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H01 compound treatment 0.092 0.080374 0.4189 0.096 0.07573 0.4208 0.14 0.11762 0.6652 0.8689 0.9744 3120395 ChemDiv3_011067 O=C(Cn1c(cc2ccccc12)c3cccs3)NC4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H02 compound treatment 0.092 0.080374 0.4189 0.06 0.03973 0.2208 -0.173 -0.19538 -1.1049 -0.2686 -0.2234 3034086 ChemDiv3_011068 Cn1cnc2n(ncc2c1=O)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H03 compound treatment 0.099 0.087374 0.4554 0.0 -0.02027 -0.1126 0.086 0.06362 0.3598 0.4056 0.6861 3034088 ChemDiv3_011069 COC(=O)c1cc(n[nH]1)C2CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H04 compound treatment -0.05 -0.061626 -0.3212 -0.044 -0.06427 -0.3572 -0.006 -0.02838 -0.1605 -0.4843 -0.9563 3120396 ChemDiv3_011070 CC(C)(C)n1ncc2c(=O)n(Cc3cccc(c3)C(F)(F)F)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H05 compound treatment -0.006 -0.017626 -0.0919 0.037 0.01673 0.093 0.155 0.13262 0.75 0.4336 0.5696 3120397 ChemDiv3_011071 COC(=O)c1cc2c(nn(c3ccccc3)c2n1Cc4cccc(C)c4)c5cccs5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H06 compound treatment 0.175 0.16337 0.8515 0.043 0.02273 0.1263 0.338 0.31562 1.7849 1.5951 0.8049 3034134 ChemDiv3_011072 O=C(Nc1ccc2nc3CCCCn3c(=O)c2c1)/C=C/c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H07 compound treatment 0.247 0.23537 1.2268 -0.139 -0.15927 -0.8851 0.313 0.29062 1.6435 1.1462 0.5131 3034135 ChemDiv3_011073 Cc1ccc(c2cn3c(n2)sc4cc(ccc43)C(=O)O)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H08 compound treatment 0.212 0.20037 1.0444 0.006 -0.01427 -0.0793 0.12 0.09762 0.5521 0.8759 0.7398 3034136 ChemDiv3_011074 CCCCN(C)c1sc(nc1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H09 compound treatment -0.104 -0.11563 -0.6027 0.025 0.00473 0.0263 0.042 0.01962 0.111 -0.2687 -0.4381 3034138 ChemDiv3_011075 OC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H10 compound treatment -0.027 -0.038626 -0.2013 0.076 0.05573 0.3097 0.127 0.10462 0.5916 0.4042 0.5794 3034139 ChemDiv3_011076 CCS(=O)(=O)c1nc(c(s1)N2CCCC2)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H11 compound treatment 0.035 0.023374 0.1218 -0.05 -0.07027 -0.3905 0.0 -0.02238 -0.1266 -0.2282 -0.5329 3034141 ChemDiv3_011077 O=C(NCc1ccccc1)c2ccc(cc2)n3c(cc4CCCCc43)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H12 compound treatment -0.065 -0.076626 -0.3994 -0.069 -0.08927 -0.4961 -0.101 -0.12338 -0.6977 -0.9198 -0.9737 3034143 ChemDiv3_011078 CCN(C(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)c4cc(Cl)ccc4OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H13 compound treatment -0.019 -0.030626 -0.1596 0.126 0.10573 0.5876 0.181 0.15862 0.897 0.765 0.7056 3120398 ChemDiv3_011079 O=C(NCCc1ccccc1)Nc2ccc3Sc4ccccc4C(=O)N(Cc5ccccc5)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H14 compound treatment 0.014 0.0023745 0.0124 -0.013 -0.03327 -0.1849 -0.012 -0.03438 -0.1944 -0.2118 -0.7888 3034145 ChemDiv3_011080 COc1ccc(NC(=O)c2cc3CSc4ccccc4-c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H15 compound treatment -0.012 -0.023626 -0.1231 0.213 0.19273 1.071 -0.331 -0.35338 -1.9984 -0.6065 -0.2671 3120399 ChemDiv3_011081 CC(CCc1ccccc1)NC(=O)c2n[nH]c3CCCCc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H16 compound treatment -0.128 -0.13963 -0.7278 0.036 0.01573 0.0874 -0.012 -0.03438 -0.1944 -0.482 -0.6355 3120400 ChemDiv3_011082 CCCNC(=O)Cn1cccc1C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H17 compound treatment 0.147 0.13537 0.7056 -0.073 -0.09327 -0.5183 0.21 0.18762 1.061 0.7207 0.5239 3034147 ChemDiv3_011083 OC(=O)Cn1ncc2c3ccccc3n(Cc4cccc(Cl)c4)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H18 compound treatment -0.262 -0.27363 -1.4262 0.184 0.16373 0.9099 -0.096 -0.11838 -0.6695 -0.6846 -0.3763 3120401 ChemDiv3_011084 CC(NC(=O)Cn1cccc1C(=O)c2ccccc2C)c3ccc4OCCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H19 compound treatment 0.036 0.024374 0.127 0.171 0.15073 0.8376 0.157 0.13462 0.7613 0.9965 0.8749 3034149 ChemDiv3_011085 CCC(C(=O)O)n1c2ccccc2c3cn[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H20 compound treatment 0.033 0.021374 0.1114 0.044 0.02373 0.1319 0.166 0.14362 0.8122 0.6094 0.7339 3120402 ChemDiv3_011086 NC(=O)C1CCN(CC1)C(=O)c2ccc3nc(sc3c2)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H21 compound treatment -0.019 -0.030626 -0.1596 -0.025 -0.04527 -0.2516 0.043 0.02062 0.1166 -0.1701 -0.5316 3034151 ChemDiv3_011087 COC(=O)CCn1c(=O)c2cccn2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H22 compound treatment 0.377 0.36537 1.9044 0.39 0.36973 2.0546 0.274 0.25162 1.423 3.1073 0.9889 3120403 ChemDiv3_011088 CC1CCCC(C)N1CCCNC(=O)C2CCN(CC2)c3ncnc4c3sc5cccc(F)c54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H23 mock treatment 0.074 0.062374 0.3251 0.074 0.05373 0.2986 0.057 0.03462 0.1958 0.4731 0.9798 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 H24 mock treatment 0.142 0.13037 0.6795 0.0 -0.02027 -0.1126 -0.117 -0.13938 -0.7882 -0.1278 -0.1221 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I01 compound treatment -0.06 -0.071626 -0.3733 -0.046 -0.06627 -0.3683 0.049 0.02662 0.1505 -0.3412 -0.6255 3120404 ChemDiv3_011089 COc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I02 compound treatment 0.093 0.081374 0.4241 -0.096 -0.11627 -0.6461 0.021 -0.0013798 -0.0078 -0.1327 -0.1716 3034154 ChemDiv3_011090 CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N3C(=O)CCC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I03 compound treatment -0.026 -0.037626 -0.1961 -0.111 -0.13127 -0.7295 -0.013 -0.03538 -0.2001 -0.6499 -0.8317 3120405 ChemDiv3_011091 CCc1ccc2ncc(c(N3CCCCC3)c2c1)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I04 compound treatment 0.098 0.086374 0.4502 0.025 0.00473 0.0263 0.0 -0.02238 -0.1266 0.202 0.4313 3034156 ChemDiv3_011092 O=C(NCCCN1CCCCC1)c2ccc3Sc4ccccc4C(=O)Nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I05 compound treatment -0.12 -0.13163 -0.6861 0.141 0.12073 0.6709 -0.11 -0.13238 -0.7486 -0.441 -0.3623 3120406 ChemDiv3_011093 Cc1cccc(N2CCN(CCNC(=O)c3cc4CS(=O)(=O)Cc4s3)CC2)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I06 compound treatment -0.012 -0.023626 -0.1231 -0.141 -0.16127 -0.8962 0.171 0.14862 0.8405 -0.1033 -0.0836 3120407 ChemDiv3_011094 CN1C(=O)CSc2ccc(NC(=O)N3CCN(CC3)c4ccccc4)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I07 compound treatment 0.109 0.097374 0.5075 -0.071 -0.09127 -0.5072 0.181 0.15862 0.897 0.5181 0.451 3034159 ChemDiv3_011095 COC(=O)c1cc2sccc2n1CC(=O)Nc3cc(OC)cc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I08 compound treatment 0.046 0.034374 0.1792 0.225 0.20473 1.1377 0.144 0.12162 0.6878 1.1574 0.8628 3034213 ChemDiv3_011096 O=C(Cn1ncc2ccccc12)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I09 compound treatment 0.042 0.030374 0.1583 0.06 0.03973 0.2208 0.038 0.01562 0.0883 0.2699 0.9447 3034214 ChemDiv3_011097 COC(=O)c1cc2occc2n1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I10 compound treatment 2.006 1.9944 7.0454 1.821 1.8007 7.2048 2.667 2.6446 8.3918 13.0724 0.9968 3034215 ChemDiv3_011098 Cc1cc(c2ccco2)n(CC(=O)O)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I11 compound treatment -0.074 -0.085626 -0.4463 0.053 0.03273 0.1819 -0.007 -0.02938 -0.1661 -0.2486 -0.4876 3034217 ChemDiv3_011099 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I12 compound treatment 0.159 0.14737 0.7682 0.188 0.16773 0.9321 0.089 0.06662 0.3767 1.1992 0.9478 3034218 ChemDiv3_011100 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I13 compound treatment -0.198 -0.20963 -1.0926 -0.038 -0.05827 -0.3238 0.048 0.02562 0.1449 -0.7341 -0.6391 3034219 ChemDiv3_011101 O=C(NCc1ccco1)c2ccc3N4CCCC4C(=O)Nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I14 compound treatment 0.041 0.029374 0.1531 -0.031 -0.05127 -0.2849 0.259 0.23662 1.3381 0.6965 0.5059 3034220 ChemDiv3_011102 COC(=O)c1cc2occc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I15 compound treatment 0.092 0.080374 0.4189 -0.07 -0.09027 -0.5016 0.0 -0.02238 -0.1266 -0.1208 -0.1815 3034223 ChemDiv3_011103 CCOc1ccc2nc(sc2c1)N3CCCC(C3)C(=O)NC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I16 compound treatment 0.051 0.039374 0.2052 -0.056 -0.07627 -0.4238 0.213 0.19062 1.078 0.4962 0.4218 3120408 ChemDiv3_011104 CCc1n[nH]c(=S)c2cc3sccc3n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I17 compound treatment 0.042 0.030374 0.1583 -0.068 -0.08827 -0.4905 0.188 0.16562 0.9366 0.349 0.3264 3120409 ChemDiv3_011105 CCC(C(=O)NC1CCCC1)n2nc(CC)n3c4cc(C)oc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I18 compound treatment 0.1 0.088374 0.4606 0.031 0.01073 0.0596 0.175 0.15262 0.8631 0.7987 0.8149 3034225 ChemDiv3_011106 O=C(NC1CCCC1)C2CCN(CC2)C(=O)c3sccc3n4cccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I19 compound treatment -0.061 -0.072626 -0.3785 0.115 0.09473 0.5264 0.065 0.04262 0.241 0.2245 0.3246 3120410 ChemDiv3_011107 CCc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c3cc4sc(C)cc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I20 compound treatment 0.057 0.045374 0.2365 0.408 0.38773 2.1547 0.088 0.06562 0.3711 1.5948 0.7252 3120411 ChemDiv3_011108 CCCNC(=O)C1CCN(CC1)C(=O)c2sccc2n3cccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I21 compound treatment -0.006 -0.017626 -0.0919 0.096 0.07573 0.4208 -0.147 -0.16938 -0.9579 -0.3631 -0.3457 3034229 ChemDiv3_011109 CCOC(=O)N1CCC(CC1)NC(=O)CSc2cc(C)nc3c(c(C)nn23)c4ccccc4OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I22 compound treatment 0.095 0.083374 0.4346 0.108 0.08773 0.4875 0.236 0.21362 1.2081 1.2298 0.8955 3120412 ChemDiv3_011110 CCC(C(=O)N1CCCCC1)n2ncn3c4ccoc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I23 mock treatment -0.063 -0.074626 -0.389 0.11 0.08973 0.4986 0.092 0.06962 0.3937 0.2906 0.3901 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 I24 mock treatment -0.007 -0.018626 -0.0971 -0.027 -0.04727 -0.2627 0.0 -0.02238 -0.1266 -0.2808 -0.9136 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J01 compound treatment -0.046 -0.057626 -0.3004 -0.093 -0.11327 -0.6295 0.084 0.06162 0.3485 -0.3356 -0.4305 3034232 ChemDiv3_011111 O=C(CCC(=O)N1CCSc2ccccc12)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J02 compound treatment -0.013 -0.024626 -0.1284 -0.078 -0.09827 -0.5461 -0.027 -0.04938 -0.2793 -0.5506 -0.8787 3120413 ChemDiv3_011112 CCCCn1cnc2n(ncc2c1=O)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J03 compound treatment -0.161 -0.17263 -0.8998 0.424 0.40373 2.2436 0.28 0.25762 1.4569 1.617 0.5729 3034234 ChemDiv3_011113 COC(=O)CN(C)c1nnc(N)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J04 compound treatment 0.063 0.051374 0.2678 0.154 0.13373 0.7432 0.158 0.13562 0.767 1.0265 0.9323 3120414 ChemDiv3_011114 CC(C)(C)n1ncc2c(=O)n(Cc3cccc4ccccc34)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J05 compound treatment 0.127 0.11537 0.6014 0.101 0.08073 0.4486 0.145 0.12262 0.6934 1.0066 0.9852 3120415 ChemDiv3_011115 COc1ccc(Cn2c(SCc3cccc(c3)C(F)(F)F)nc4ccncc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J06 compound treatment -0.08 -0.091626 -0.4776 -0.028 -0.04827 -0.2682 0.208 0.18562 1.0497 0.1755 0.1482 3034237 ChemDiv3_011116 Fc1cccc(Cl)c1CC(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J07 compound treatment -0.068 -0.079626 -0.415 0.316 0.29573 1.6434 0.147 0.12462 0.7048 1.1161 0.608 3120416 ChemDiv3_011117 OC(=O)C1CCCN(C1)S(=O)(=O)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J08 compound treatment 0.139 0.12737 0.6639 0.118 0.09773 0.5431 0.006 -0.01638 -0.0926 0.6434 0.7458 3034239 ChemDiv3_011118 Cc1ccc(cc1)S(=O)(=O)c2nc(sc2N3CCCC3)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J09 compound treatment 0.006 -0.0056255 -0.0293 -0.029 -0.04927 -0.2738 0.056 0.03362 0.1901 -0.0652 -0.195 3120417 ChemDiv3_011119 CC1CCc2c(csc2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J10 compound treatment -0.072 -0.083626 -0.4359 -0.186 -0.20627 -1.1463 -0.141 -0.16338 -0.9239 -1.4469 -0.9423 3120418 ChemDiv3_011120 CCS(=O)(=O)c1nc(c(NCCN2CCOCC2)s1)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J11 compound treatment -0.184 -0.19563 -1.0196 -0.118 -0.13827 -0.7684 -0.067 -0.08938 -0.5055 -1.3241 -0.9643 3034241 ChemDiv3_011121 Cc1c(C(=O)NC2CCCCC2)c(C)n3cn[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J12 compound treatment 0.041 0.029374 0.1531 -0.006 -0.02627 -0.146 0.054 0.03162 0.1788 0.1074 0.3875 3034304 ChemDiv3_011122 COc1cc(OC)c(cc1Cl)N(C)C(=O)c2ccc3c(=O)n4CCCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J13 compound treatment -0.013 -0.024626 -0.1284 -0.007 -0.02727 -0.1515 -0.096 -0.11838 -0.6695 -0.5481 -0.7849 3034306 ChemDiv3_011123 Cc1n(Cc2ccc(C)cc2)c(C)c3c(=O)[nH]ncc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J14 compound treatment 0.007 -0.0046255 -0.0241 -0.164 -0.18427 -1.024 0.006 -0.01638 -0.0926 -0.6586 -0.6404 3034307 ChemDiv3_011124 O=C(Nc1ccccc1C#N)c2cc3CSc4ccccc4-c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J15 compound treatment -0.031 -0.042626 -0.2222 0.342 0.32173 1.7879 0.071 0.04862 0.275 1.0627 0.5831 3034308 ChemDiv3_011125 COC(=O)Cn1c(ccc1c2ccco2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J16 compound treatment 0.026 0.014374 0.0749 0.117 0.09673 0.5375 -0.021 -0.04338 -0.2453 0.212 0.3559 3034310 ChemDiv3_011126 O=C(Cn1cccc1C(=O)c2ccccc2)NC3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J17 compound treatment 0.049 0.037374 0.1948 0.013 -0.00727 -0.0404 -0.056 -0.07838 -0.4433 -0.1668 -0.3432 3034312 ChemDiv3_011127 Fc1ccc(Cn2c3ccccc3c4cn[nH]c(=O)c24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J18 compound treatment -0.045 -0.056626 -0.2951 -0.142 -0.16227 -0.9018 -0.186 -0.20838 -1.1784 -1.3714 -0.9064 3034313 ChemDiv3_011128 CC(C(=O)NCc1ccc(Cl)cc1)n2cccc2C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J19 compound treatment -0.099 -0.11063 -0.5766 0.071 0.05073 0.2819 -0.073 -0.09538 -0.5394 -0.4816 -0.5744 3034315 ChemDiv3_011129 COC(=O)c1cccc2[nH]ncc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J20 compound treatment -0.012 -0.023626 -0.1231 0.066 0.04573 0.2541 0.226 0.20362 1.1515 0.7405 0.6245 3120419 ChemDiv3_011130 O=C(N1CCC2(CC1)OCCO2)c3ccc4nc(sc4c3)N5CCCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J21 compound treatment -0.053 -0.064626 -0.3368 -0.059 -0.07927 -0.4405 -0.019 -0.04138 -0.234 -0.5839 -0.9701 3034316 ChemDiv3_011131 Cc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J22 compound treatment -0.026 -0.037626 -0.1961 0.105 0.08473 0.4709 0.16 0.13762 0.7783 0.608 0.6534 3120420 ChemDiv3_011132 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)c3ncnc4c3sc5cccc(F)c54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J23 mock treatment 0.173 0.16137 0.8411 0.09 0.06973 0.3875 -0.057 -0.07938 -0.4489 0.4502 0.4374 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 J24 mock treatment 0.047 0.035374 0.1844 -0.041 -0.06127 -0.3405 -0.007 -0.02938 -0.1661 -0.1861 -0.4416 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K01 compound treatment 0.055 0.043374 0.2261 -0.101 -0.12127 -0.6739 -0.132 -0.15438 -0.873 -0.7626 -0.6774 3034318 ChemDiv3_011133 S=c1[nH]c(nc2Oc3ccccc3Cc21)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K02 compound treatment 0.032 0.020374 0.1062 0.034 0.01373 0.0763 0.197 0.17462 0.9875 0.6755 0.6781 3120421 ChemDiv3_011134 COc1cc2c(N3C(=O)CCC3=O)c4c(=O)oc(C)cn4c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K03 compound treatment -0.08 -0.091626 -0.4776 0.063 0.04273 0.2375 0.168 0.14562 0.8235 0.3368 0.3433 3120422 ChemDiv3_011135 COc1ccc2ncc(c(N3CCC(CC3)C(=O)N)c2c1)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K04 compound treatment -0.113 -0.12463 -0.6496 0.16 0.13973 0.7765 0.927 0.90462 5.1158 3.0269 0.5804 3034321 ChemDiv3_011136 COC(CN(C)C(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K05 compound treatment -0.085 -0.096626 -0.5036 -0.062 -0.08227 -0.4572 0.094 0.07162 0.405 -0.3209 -0.4053 3120592 ChemDiv3_011137 CC1(C)CC(=O)N(CC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F)c4ccccc4S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K06 compound treatment 0.045 0.033374 0.174 0.043 0.02273 0.1263 0.287 0.26462 1.4965 1.0374 0.6862 3034323 ChemDiv3_011138 COc1ccc(CNC(=O)Cc2cccs2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K07 compound treatment 0.059 0.047374 0.2469 -0.018 -0.03827 -0.2127 0.157 0.13462 0.7613 0.4593 0.5546 3120593 ChemDiv3_011139 COC(=O)c1cc2sccc2n1CC(=O)N(C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K08 compound treatment -0.048 -0.059626 -0.3108 -0.043 -0.06327 -0.3516 0.079 0.05662 0.3202 -0.1976 -0.3478 3034326 ChemDiv3_011140 O=C(Cn1ncc2ccccc12)N3CCC4(CC3)OCCO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K09 compound treatment 0.085 0.073374 0.3824 -0.011 -0.03127 -0.1738 0.043 0.02062 0.1166 0.1878 0.4308 3120594 ChemDiv3_011141 CCC(C(=O)N1CCCC1)n2c(cc3sccc23)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K10 compound treatment 0.083 0.071374 0.372 0.202 0.18173 1.0099 0.136 0.11362 0.6425 1.1688 0.9325 1337626 ChemDiv3_011142 OC(=O)C1CCC2(C1)NC(=O)NC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K11 compound treatment -0.117 -0.12863 -0.6704 -0.105 -0.12527 -0.6961 -0.043 -0.06538 -0.3697 -1.0025 -0.9688 3120595 ChemDiv3_011143 Cn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K12 compound treatment 0.087 0.075374 0.3929 0.13 0.10973 0.6098 0.13 0.10762 0.6086 0.9303 0.9824 3034329 ChemDiv3_011144 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K13 compound treatment -0.13 -0.14163 -0.7382 -0.057 -0.07727 -0.4294 0.073 0.05062 0.2863 -0.5088 -0.5649 3120596 ChemDiv3_011145 O=C(NCCc1ccccc1)c2ccc3N4CCCC4C(=O)Nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K14 compound treatment 0.126 0.11437 0.5961 0.019 -0.00127 -0.0071 -0.021 -0.04338 -0.2453 0.1985 0.3079 3120597 ChemDiv3_011146 CC(C)Oc1ccc(CNC(=O)Cn2nc(C)n3c4ccoc4cc3c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K15 compound treatment 0.096 0.084374 0.4398 0.263 0.24273 1.3489 0.043 0.02062 0.1166 1.1 0.7727 3034331 ChemDiv3_011147 CC1CC(C)CN(C1)C(=O)C2CCN(CC2)c3nc4c(C)cc(C)cc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K16 compound treatment 0.191 0.17937 0.9349 0.119 0.09873 0.5487 0.148 0.12562 0.7104 1.2667 0.9773 3120598 ChemDiv3_011148 Cc1sc(c(C#N)c1C)n2cccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K17 compound treatment 0.005 -0.0066255 -0.0345 -0.042 -0.06227 -0.346 0.0 -0.02238 -0.1266 -0.2928 -0.7912 3120599 ChemDiv3_011149 CC1CCC(CC1)NC(=O)Cn2ncn3c4ccsc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K18 compound treatment -0.026 -0.037626 -0.1961 0.126 0.10573 0.5876 -0.278 -0.30038 -1.6987 -0.7547 -0.4174 3034333 ChemDiv3_011150 CCc1ccc(NC(=O)Nc2cccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K19 compound treatment 0.065 0.053374 0.2782 0.132 0.11173 0.6209 0.006 -0.01638 -0.0926 0.4656 0.6781 3033201 ChemDiv3_011151 CCC(C)NC(=O)Cn1ncn2c3cc(C)sc3cc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K20 compound treatment -0.018 -0.029626 -0.1544 0.013 -0.00727 -0.0404 0.075 0.05262 0.2976 0.0593 0.1757 3033202 ChemDiv3_011152 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)NCc4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K21 compound treatment -0.042 -0.053626 -0.2795 -0.051 -0.07127 -0.3961 -0.086 -0.10838 -0.6129 -0.7439 -0.952 3033204 ChemDiv3_011153 COc1ccccc1c2c(C)nn3c(SCC(=O)NCc4ccc5OCOc5c4)cc(C)nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K22 compound treatment 0.178 0.16637 0.8672 -0.019 -0.03927 -0.2182 0.071 0.04862 0.275 0.5334 0.5702 3033206 ChemDiv3_011154 COc1cccc(CNC(=O)Cn2ncn3cccc3c2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K23 mock treatment 0.018 0.0063745 0.0332 0.196 0.17573 0.9766 0.0 -0.02238 -0.1266 0.5099 0.5175 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 K24 mock treatment -0.043 -0.054626 -0.2847 -0.033 -0.05327 -0.296 0.019 -0.0033798 -0.0191 -0.3463 -0.8423 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L01 compound treatment 0.0 -0.011626 -0.0606 0.086 0.06573 0.3653 0.109 0.08662 0.4899 0.4587 0.747 3033207 ChemDiv3_011155 COC(=O)CN1C(=O)CSc2ncccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L02 compound treatment 0.151 0.13937 0.7265 0.122 0.10173 0.5653 -0.031 -0.05338 -0.3019 0.5715 0.59 3033209 ChemDiv3_011156 Fc1ccc(cc1)n2ncc3c(=O)n(CC=C)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L03 compound treatment 0.104 0.092374 0.4815 -0.451 -0.47127 -2.6189 0.128 0.10562 0.5973 -0.8892 -0.3258 3033211 ChemDiv3_011157 CC1CCC(CC1)NC(=O)c2ccc(CSc3nc4ccncc4[nH]3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L04 compound treatment -0.065 -0.076626 -0.3994 -0.031 -0.05127 -0.2849 -0.018 -0.04038 -0.2284 -0.5269 -0.9737 3120600 ChemDiv3_011158 CC(C)(C)n1ncc2c(=O)n(CC(=O)OCc3ccccc3)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L05 compound treatment 0.0 -0.011626 -0.0606 -0.006 -0.02627 -0.146 0.033 0.01062 0.0601 -0.0846 -0.5003 3033213 ChemDiv3_011159 COC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L06 compound treatment 0.088 0.076374 0.3981 0.0 -0.02027 -0.1126 0.131 0.10862 0.6143 0.5194 0.7014 3120601 ChemDiv3_011160 O=C(CC1CCCCC1)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L07 compound treatment -0.25 -0.26163 -1.3637 0.318 0.29773 1.6545 -0.181 -0.20338 -1.1502 -0.4961 -0.2039 3120602 ChemDiv3_011161 COc1ccc(cc1)C(=O)Cn2ccnc2C(=O)NCCc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L08 compound treatment -0.088 -0.099626 -0.5193 -0.031 -0.05127 -0.2849 0.0 -0.02238 -0.1266 -0.5374 -0.8872 3033215 ChemDiv3_011162 CNc1sc(nc1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L09 compound treatment -0.024 -0.035626 -0.1857 -0.006 -0.02627 -0.146 0.054 0.03162 0.1788 -0.0883 -0.2979 3033217 ChemDiv3_011163 Clc1ccccc1C2SCC3Nc4ccccc4CN23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L10 compound treatment 0.079 0.067374 0.3512 0.013 -0.00727 -0.0404 0.153 0.13062 0.7387 0.6059 0.7399 3120603 ChemDiv3_011164 CCS(=O)(=O)c1nc(c(NCc2ccc(OC)cc2)s1)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L11 compound treatment 0.561 0.54937 2.8635 0.251 0.23073 1.2822 0.521 0.49862 2.8198 4.0215 0.9533 3033219 ChemDiv3_011165 CCn1cc(CCCC(=O)O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L12 compound treatment -0.042 -0.053626 -0.2795 0.0 -0.02027 -0.1126 0.154 0.13162 0.7443 0.2033 0.2532 3120604 ChemDiv3_011166 CN(C(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)c4cccc(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L13 compound treatment 0.083 0.071374 0.372 0.085 0.06473 0.3597 -0.107 -0.12938 -0.7317 0.0 0.0 3033220 ChemDiv3_011167 CCOC(=O)c1cc(C)n(c1C)S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L14 compound treatment 0.034 0.022374 0.1166 0.11 0.08973 0.4986 0.128 0.10562 0.5973 0.7001 0.8898 3120605 ChemDiv3_011168 OC(=O)C1C2CC3CC(C2)CC1(C3)n4ncc(N5CCOCC5)c(Cl)c4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L15 compound treatment 0.103 0.091374 0.4763 0.157 0.13673 0.7598 0.123 0.10062 0.569 1.0422 0.9813 3120606 ChemDiv3_011169 COC(=O)c1c(C)nn(c1n2c(C)ccc2C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L16 compound treatment -0.026 -0.037626 -0.1961 0.013 -0.00727 -0.0404 -0.19 -0.21238 -1.201 -0.83 -0.6816 3033223 ChemDiv3_011170 CC(NC(=O)Cn1cccc1C(=O)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L17 compound treatment -0.191 -0.20263 -1.0561 -0.081 -0.10127 -0.5628 -0.14 -0.16238 -0.9183 -1.4648 -0.9711 3120607 ChemDiv3_011171 Cn1c2ccccc2c3cnn(CC(=O)O)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L18 compound treatment -0.006 -0.017626 -0.0919 0.111 0.09073 0.5042 0.249 0.22662 1.2816 0.978 0.7086 3120608 ChemDiv3_011172 CC(C)NC(=O)C(C)n1cccc1C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L19 compound treatment -0.214 -0.22563 -1.176 -0.118 -0.13827 -0.7684 -0.057 -0.07938 -0.4489 -1.3818 -0.9369 3033225 ChemDiv3_011173 OC(=O)CCn1c2ccccc2c3cn[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L20 compound treatment 0.268 0.25637 1.3363 0.052 0.03173 0.1763 0.325 0.30262 1.7114 1.8614 0.8545 3120609 ChemDiv3_011174 CCc1ccccc1NC(=O)c2ccc3nc(sc3c2)N4CCC(C)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L21 compound treatment -0.038 -0.049626 -0.2587 0.088 0.06773 0.3764 -0.064 -0.08638 -0.4885 -0.2141 -0.3201 3033226 ChemDiv3_011175 CCOC(=O)CCCn1c(=O)c2cccn2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L22 compound treatment 0.081 0.069374 0.3616 0.112 0.09173 0.5098 0.314 0.29162 1.6492 1.4552 0.8251 3120610 ChemDiv3_011176 Fc1cccc2sc3c(ncnc3c12)N4CCCC(C4)C(=O)NCCc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L23 mock treatment 0.044 0.032374 0.1687 -0.059 -0.07927 -0.4405 0.269 0.24662 1.3947 0.6483 0.4403 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 L24 mock treatment 0.054 0.042374 0.2209 0.017 -0.00327 -0.0182 0.096 0.07362 0.4163 0.3574 0.7578 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M01 compound treatment 0.172 0.16037 0.8359 0.109 0.08873 0.4931 -0.24 -0.26238 -1.4838 -0.0894 -0.0504 3033228 ChemDiv3_011177 CC1(C)CC(=O)c2sc3nc(cn3c2C1)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M02 compound treatment -0.11 -0.12163 -0.6339 0.029 0.00873 0.0485 -0.128 -0.15038 -0.8504 -0.829 -0.7807 3120611 ChemDiv3_011178 Cc1cc(NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)ccc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M03 compound treatment 0.072 0.060374 0.3147 -0.034 -0.05427 -0.3016 0.007 -0.01538 -0.087 -0.0427 -0.096 3033287 ChemDiv3_011179 CCN(CC)c1c(cnc2ccccc12)S(=O)(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M04 compound treatment 0.25 0.23837 1.2425 0.203 0.18273 1.0155 0.071 0.04862 0.275 1.4624 0.8982 3033289 ChemDiv3_011180 CC(C)CN(CC(C)C)c1nnc(NC(=O)c2csc3CCCCc23)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M05 compound treatment 0.267 0.25537 1.3311 0.176 0.15573 0.8654 -0.121 -0.14338 -0.8108 0.8 0.4488 3033290 ChemDiv3_011181 Fc1cccc(Cn2c(nc3ccccc23)N4CCC(CC4)C(=O)NCc5ccco5)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M06 compound treatment 0.156 0.14437 0.7525 0.019 -0.00127 -0.0071 -0.181 -0.20338 -1.1502 -0.2337 -0.17 3033292 ChemDiv3_011182 Cc1ccccc1CNC(=O)Cn2ncc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M07 compound treatment 0.0 -0.011626 -0.0606 -0.029 -0.04927 -0.2738 0.124 0.10162 0.5747 0.1387 0.2169 3033293 ChemDiv3_011183 CCC1CCCCN1C(=O)Cn2c(cc3sc(Cl)cc23)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M08 compound treatment 0.058 0.046374 0.2417 0.564 0.54373 3.0216 0.0 -0.02238 -0.1266 1.811 0.5969 3033294 ChemDiv3_011184 CCc1ccc(NC(=O)Cn2ncc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M09 compound treatment 0.6 0.58837 3.0667 0.03 0.00973 0.0541 0.122 0.09962 0.5634 2.1271 0.6821 3120612 ChemDiv3_011185 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M10 compound treatment 0.125 0.11337 0.5909 -0.024 -0.04427 -0.246 0.148 0.12562 0.7104 0.6093 0.6372 3033296 ChemDiv3_011186 OC(=O)c1ccc(cc1)n2c(cc3CCCCc32)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M11 compound treatment -0.094 -0.10563 -0.5505 -0.16 -0.18027 -1.0018 -0.04 -0.06238 -0.3528 -1.0999 -0.9194 3120613 ChemDiv3_011187 Cc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3cc4sccc4n3Cc5ccc(F)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M12 compound treatment -0.035 -0.046626 -0.243 0.047 0.02673 0.1485 -0.007 -0.02938 -0.1661 -0.1505 -0.4563 3033299 ChemDiv3_011188 CCn1c(cc2sc(Cl)cc12)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M13 compound treatment 0.094 0.082374 0.4294 -0.051 -0.07127 -0.3961 -0.049 -0.07138 -0.4037 -0.2138 -0.3012 3120614 ChemDiv3_011189 CC1CCCCC1NC(=O)c2ccc3N4CCCC4C(=O)Nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M14 compound treatment 0.039 0.027374 0.1427 -0.022 -0.04227 -0.2349 0.552 0.52962 2.9951 1.676 0.5572 3033301 ChemDiv3_011190 CCc1n[nH]c(=O)c2cc3oc(C)cc3n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M15 compound treatment -0.047 -0.058626 -0.3056 0.048 0.02773 0.1541 -0.086 -0.10838 -0.6129 -0.4413 -0.6287 3120615 ChemDiv3_011191 CCCNC(=O)C1CCCN(C1)c2nc3c(C)cc(C)cc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M16 compound treatment -0.014 -0.025626 -0.1336 0.03 0.00973 0.0541 -0.113 -0.13538 -0.7656 -0.4879 -0.6263 3033303 ChemDiv3_011192 Clc1ccc(CNC(=O)Cn2ncn3c(cc4ccccc43)c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M17 compound treatment -0.007 -0.018626 -0.0971 -0.053 -0.07327 -0.4072 -0.056 -0.07838 -0.4433 -0.547 -0.8973 3120616 ChemDiv3_011193 CCC(C(=O)NC1CCCc2ccccc12)n3nc(C)n4c5ccsc5cc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M18 compound treatment -0.116 -0.12763 -0.6652 0.053 0.03273 0.1819 -0.123 -0.14538 -0.8221 -0.7537 -0.7024 3033305 ChemDiv3_011194 CC1CCCC(NC(=O)Nc2cccs2)C1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M19 compound treatment -0.013 -0.024626 -0.1284 -0.06 -0.08027 -0.4461 0.228 0.20562 1.1628 0.3397 0.2713 3120617 ChemDiv3_011195 Cc1cc2c(cc3c(=O)n(CC(=O)NCCN4CCOCC4)ncn23)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M20 compound treatment 0.146 0.13437 0.7004 -0.034 -0.05427 -0.3016 -0.141 -0.16338 -0.9239 -0.3032 -0.2531 3120618 ChemDiv3_011196 Cc1cc(C)cc(NC(=O)CSCc2cnn(c2n3cccc3)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M21 compound treatment -0.075 -0.086626 -0.4515 -0.03 -0.05027 -0.2794 0.08 0.05762 0.3259 -0.2338 -0.3754 3033306 ChemDiv3_011197 COC(=O)c1c(sc2CCCCc12)N3C(=O)CCC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M22 compound treatment 0.06 0.048374 0.2521 0.08 0.05973 0.3319 0.089 0.06662 0.3767 0.5547 0.9873 3033307 ChemDiv3_011198 O=C(Cn1ncn2cccc2c1=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M23 mock treatment -0.006 -0.017626 -0.0919 0.025 0.00473 0.0263 0.041 0.01862 0.1053 0.0229 0.1613 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 M24 mock treatment -0.014 -0.025626 -0.1336 0.033 0.01273 0.0707 0.049 0.02662 0.1505 0.0506 0.2374 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N01 compound treatment -0.047 -0.058626 -0.3056 0.014 -0.00627 -0.0348 -0.007 -0.02938 -0.1661 -0.2925 -0.8367 3120619 ChemDiv3_011199 COc1ccc(cc1)C2=NN(CC(=O)Nc3cc(C)ccc3C)C(=O)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N02 compound treatment 0.02 0.0083745 0.0436 0.077 0.05673 0.3153 0.049 0.02662 0.1505 0.2941 0.8354 3033310 ChemDiv3_011200 CCOC(=O)C(C)n1cnc2n(ncc2c1=O)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N03 compound treatment -0.239 -0.25063 -1.3063 0.026 0.00573 0.0318 0.203 0.18062 1.0214 -0.1461 -0.0881 1722020 ChemDiv3_011201 CCOC(=O)C1CCCN(C1)C(=S)Nc2ccc(OCC)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N04 compound treatment 0.055 0.043374 0.2261 0.193 0.17273 0.9599 -0.076 -0.09838 -0.5564 0.3635 0.321 3120782 ChemDiv3_011202 CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccccc3)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N05 compound treatment -0.083 -0.094626 -0.4932 -0.102 -0.12227 -0.6795 0.057 0.03462 0.1958 -0.564 -0.6542 3033313 ChemDiv3_011203 COc1cccc(CNC(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N06 compound treatment 0.058 0.046374 0.2417 -0.104 -0.12427 -0.6906 0.084 0.06162 0.3485 -0.058 -0.0715 3120783 ChemDiv3_011204 O=C(CCC1CCCC1)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N07 compound treatment -0.127 -0.13863 -0.7225 0.06 0.03973 0.2208 -0.026 -0.04838 -0.2736 -0.4477 -0.5571 3033315 ChemDiv3_011205 CN(C1CCCCC1)S(=O)(=O)N2CCCC(C2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N08 compound treatment 0.208 0.19637 1.0236 0.11 0.08973 0.4986 0.182 0.15962 0.9027 1.4 0.9635 3120784 ChemDiv3_011206 CN(Cc1ccccc1)c2sc(nc2S(=O)(=O)c3ccc(Cl)cc3)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N09 compound treatment -0.105 -0.11663 -0.6079 -0.085 -0.10527 -0.585 0.073 0.05062 0.2863 -0.5234 -0.5875 3033368 ChemDiv3_011207 CCOC(=O)C(C)n1ncn2cccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N10 compound treatment -0.027 -0.038626 -0.2013 0.0 -0.02027 -0.1126 0.163 0.14062 0.7952 0.2779 0.3356 3033370 ChemDiv3_011208 COc1ccc(cc1)c2noc(n2)N(C)CC(=O)Nc3cccc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N11 compound treatment -0.082 -0.093626 -0.488 -0.086 -0.10627 -0.5906 -0.076 -0.09838 -0.5564 -0.9439 -0.997 3033372 ChemDiv3_011209 COc1cc(N)c(C#N)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N12 compound treatment -0.071 -0.082626 -0.4307 -0.079 -0.09927 -0.5517 -0.026 -0.04838 -0.2736 -0.7251 -0.965 3033374 ChemDiv3_011210 CC(C)CCNC(=O)c1ccc2c(=O)n3CCCCCc3nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N13 compound treatment -0.09 -0.10163 -0.5297 -0.084 -0.10427 -0.5794 0.207 0.18462 1.0441 -0.0376 -0.0288 3033375 ChemDiv3_011211 Cc1cc(C(=O)O)c(C)n1S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N14 compound treatment -0.08 -0.091626 -0.4776 -0.043 -0.06327 -0.3516 0.118 0.09562 0.5408 -0.1665 -0.2075 3033377 ChemDiv3_011212 C1CC1Nc2nc3ccccc3n4nnnc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N15 compound treatment 0.066 0.054374 0.2834 -0.048 -0.06827 -0.3794 0.395 0.37262 2.1072 1.1612 0.5376 3033378 ChemDiv3_011213 Cc1nn(CCCC(=O)O)c(=O)c2c3ccccc3sc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N16 compound treatment -0.153 -0.16463 -0.8581 -0.014 -0.03427 -0.1904 0.224 0.20162 1.1402 0.0529 0.0368 3033380 ChemDiv3_011214 CC1CCCCN1CCCNC(=O)Cn2cccc2C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N17 compound treatment -0.19 -0.20163 -1.0509 0.078 0.05773 0.3208 1.898 1.8756 7.4436 3.876 0.5151 3120785 ChemDiv3_011215 CCN1CCC(=CC1)c2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N18 compound treatment -0.081 -0.092626 -0.4828 -0.05 -0.07027 -0.3905 -0.073 -0.09538 -0.5394 -0.8156 -0.9916 3120786 ChemDiv3_011216 COc1ccccc1CNC(=O)C(C)n2cccc2C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N19 compound treatment 0.075 0.063374 0.3303 -0.012 -0.03227 -0.1793 0.395 0.37262 2.1072 1.3038 0.6091 3033383 ChemDiv3_011217 CC(C(=O)O)n1c2ccccc2c3cnn(C)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N20 compound treatment -0.006 -0.017626 -0.0919 0.097 0.07673 0.4264 0.119 0.09662 0.5464 0.5086 0.7275 3120787 ChemDiv3_011218 CC1CCN(CC1)c2nc3ccc(cc3s2)C(=O)Nc4ccccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N21 compound treatment -0.02 -0.031626 -0.1648 -0.129 -0.14927 -0.8295 -0.079 -0.10138 -0.5733 -0.9051 -0.8858 3033385 ChemDiv3_011219 O=c1n(C/C=C/c2ccccc2)cnc3n(ncc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N22 compound treatment -0.228 -0.23963 -1.249 0.052 0.03173 0.1763 0.241 0.21862 1.2363 0.0945 0.0535 3120788 ChemDiv3_011220 CC(NCc1ccc(s1)C(=O)O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N23 mock treatment -0.037 -0.048626 -0.2534 -0.055 -0.07527 -0.4183 0.012 -0.01038 -0.0587 -0.4217 -0.8561 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 N24 mock treatment 0.103 0.091374 0.4763 0.064 0.04373 0.243 0.0 -0.02238 -0.1266 0.3422 0.6228 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O01 compound treatment 0.11 0.098374 0.5128 -0.176 -0.19627 -1.0907 0.139 0.11662 0.6595 0.0471 0.0343 3120789 ChemDiv3_011221 Cc1ccc(cc1)C(=O)c2cnc3ccccc3c2N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O02 compound treatment 0.115 0.10337 0.5388 -0.052 -0.07227 -0.4016 -0.014 -0.03638 -0.2057 -0.0396 -0.0563 3033387 ChemDiv3_011222 CCOC(=O)C1CCCN(C1)C(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O03 compound treatment -0.034 -0.045626 -0.2378 0.029 0.00873 0.0485 0.013 -0.0093798 -0.053 -0.1399 -0.5632 3120790 ChemDiv3_011223 COc1ccc(cc1)N2CCN(CC2)c3c(cnc4ccc(Cl)cc34)S(=O)(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O04 compound treatment 0.244 0.23237 1.2112 0.181 0.16073 0.8932 0.075 0.05262 0.2976 1.3868 0.904 3120791 ChemDiv3_011224 CCOc1ccc(CCNC(=O)c2c(C)c(C)sc2n3cccc3)cc1OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O05 compound treatment 0.123 0.11137 0.5805 0.05 0.02973 0.1652 0.144 0.12162 0.6878 0.8276 0.9045 3033389 ChemDiv3_011225 COC(=O)c1cc2occc2n1CC(=O)N(C)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O06 compound treatment -0.012 -0.023626 -0.1231 -0.19 -0.21027 -1.1685 0.075 0.05262 0.2976 -0.5739 -0.4735 3120792 ChemDiv3_011226 O=C(Cn1ncc2ccccc12)N3CCC(Cc4ccccc4)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O07 compound treatment -0.012 -0.023626 -0.1231 -0.013 -0.03327 -0.1849 -0.11 -0.13238 -0.7486 -0.6101 -0.7812 3033391 ChemDiv3_011227 COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N3CCCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O08 compound treatment 0.037 0.025374 0.1323 0.051 0.03073 0.1708 0.051 0.02862 0.1619 0.2684 0.9944 3120793 ChemDiv3_011228 Brc1ccc(NC(=O)Cn2ncc3ccccc23)nc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O09 compound treatment 0.029 0.017374 0.0906 -0.052 -0.07227 -0.4016 0.019 -0.0033798 -0.0191 -0.1906 -0.4625 3120794 ChemDiv3_011229 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)NCCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O10 compound treatment -0.167 -0.17863 -0.931 1.353 1.3327 6.3389 -0.013 -0.03538 -0.2001 3.0067 0.4691 3033393 ChemDiv3_011230 O=C1Nc2ncccc2OC1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O11 compound treatment 0.006 -0.0056255 -0.0293 -0.011 -0.03127 -0.1738 -0.019 -0.04138 -0.234 -0.2524 -0.8615 3120795 ChemDiv3_011231 CC(NC(=O)C1CCN(CC1)C(=O)c2cc3sccc3n2Cc4ccc(F)cc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O12 compound treatment -0.184 -0.19563 -1.0196 -0.205 -0.22527 -1.2519 -0.031 -0.05338 -0.3019 -1.4857 -0.9045 3033395 ChemDiv3_011232 COC(=O)c1cc2oc3ccccc3c2n1Cc4nc(oc4C)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O13 compound treatment 0.265 0.25337 1.3206 0.075 0.05473 0.3041 0.013 -0.0093798 -0.053 0.9074 0.6691 3120796 ChemDiv3_011233 Clc1ccc(CNC(=O)c2ccc(CSc3nc4cnccc4[nH]3)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O14 compound treatment 0.106 0.094374 0.4919 -0.09 -0.11027 -0.6128 0.079 0.05662 0.3202 0.1151 0.1356 3033397 ChemDiv3_011234 CCc1cc2[nH]c(cc2s1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O15 compound treatment 0.172 0.16037 0.8359 0.069 0.04873 0.2708 0.153 0.13062 0.7387 1.0654 0.9281 3120797 ChemDiv3_011235 Cc1cc(C)c2nc(sc2c1)N3CCCC(C3)C(=O)NC4CCCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O16 compound treatment 0.11 0.098374 0.5128 0.055 0.03473 0.193 0.019 -0.0033798 -0.0191 0.3964 0.7231 3033453 ChemDiv3_011236 CC1CCN(CC1)c2nnc(NC(=O)c3cc(on3)c4ccc(Br)cc4)s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O17 compound treatment 0.148 0.13637 0.7108 0.217 0.19673 1.0933 0.331 0.30862 1.7453 2.0492 0.9406 3033454 ChemDiv3_011237 CCC(C(=O)NC1CCCC(C)C1C)n2nc(C)n3c4ccsc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O18 compound treatment -0.022 -0.033626 -0.1753 -0.048 -0.06827 -0.3794 -0.132 -0.15438 -0.873 -0.8243 -0.8516 3033456 ChemDiv3_011238 Cc1ccc(NC(=O)Nc2cccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O19 compound treatment 0.018 0.0063745 0.0332 0.006 -0.01427 -0.0793 0.481 0.45862 2.5936 1.4708 0.5668 3033458 ChemDiv3_011239 CC1CC(C)CN(CCCNC(=O)Cn2ncn3c4cc(C)sc4cc3c2=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O20 compound treatment 0.183 0.17137 0.8932 0.206 0.18573 1.0321 -0.19 -0.21238 -1.201 0.4182 0.23 3033460 ChemDiv3_011240 COc1cccc(NCc2cn(nc2c3cccs3)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O21 compound treatment 0.086 0.074374 0.3877 0.117 0.09673 0.5375 0.167 0.14462 0.8179 1.0064 0.956 3033461 ChemDiv3_011241 COC(=O)c1c(C)c(C)sc1n2cccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O22 compound treatment 0.059 0.047374 0.2469 -0.029 -0.04927 -0.2738 0.032 0.0096202 0.0544 0.0159 0.0426 3120798 ChemDiv3_011242 Cc1ccccc1CNC(=O)c2c(C)nc3ccccn3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O23 mock treatment 0.034 0.022374 0.1166 -0.018 -0.03827 -0.2127 -0.078 -0.10038 -0.5677 -0.3832 -0.6208 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 O24 mock treatment 0.1 0.088374 0.4606 0.109 0.08873 0.4931 0.03 0.0076202 0.0431 0.5755 0.8512 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P01 compound treatment 0.076 0.064374 0.3355 -0.115 -0.13527 -0.7517 0.02 -0.0023798 -0.0135 -0.2481 -0.3013 3033463 ChemDiv3_011243 FC(F)(F)c1cccc(NC(=O)CCN2N=C(CCC2=O)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P02 compound treatment 0.02 0.0083745 0.0436 0.063 0.04273 0.2375 0.085 0.06262 0.3541 0.3668 0.8557 3120799 ChemDiv3_011244 Cc1ccc(cc1C)n2ncc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P03 compound treatment -0.032 -0.043626 -0.2274 0.096 0.07573 0.4208 0.144 0.12162 0.6878 0.5088 0.6073 3033465 ChemDiv3_011245 COC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P04 compound treatment 0.018 0.0063745 0.0332 -0.048 -0.06827 -0.3794 -0.211 -0.23338 -1.3198 -0.9618 -0.7002 3120800 ChemDiv3_011246 COc1ccc(Cl)cc1C(=O)Nc2ccc3nc4CCCCn4c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P05 compound treatment -0.036 -0.047626 -0.2482 0.0 -0.02027 -0.1126 0.029 0.0066202 0.0374 -0.1867 -0.6787 3120801 ChemDiv3_011247 Cn1c(SCc2ccc(F)cc2)nc3ccc(cc13)C(=O)NCCc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P06 compound treatment 0.318 0.30637 1.5969 -0.066 -0.08627 -0.4794 -0.03 -0.05238 -0.2962 0.4742 0.28 3033468 ChemDiv3_011248 C/C(=C/c1ccccc1)/C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P07 compound treatment -0.136 -0.14763 -0.7695 -0.12 -0.14027 -0.7795 -0.226 -0.24838 -1.4046 -1.7053 -0.9574 3120802 ChemDiv3_011249 Cc1cc(c2ccco2)n(CC(=O)NCc3ccccc3Cl)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P08 compound treatment 0.276 0.26437 1.378 0.377 0.35673 1.9824 0.244 0.22162 1.2533 2.6637 0.9792 3033470 ChemDiv3_011250 CCN1CCN(CC1)c2sc(nc2S(=O)(=O)c3ccc(Cl)cc3)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P09 compound treatment -0.083 -0.094626 -0.4932 0.006 -0.01427 -0.0793 0.0 -0.02238 -0.1266 -0.4036 -0.7832 3120803 ChemDiv3_011251 CCOC(=O)c1oc2CC(C)(C)CC(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P10 compound treatment 0.197 0.18537 0.9662 -0.018 -0.03827 -0.2127 0.205 0.18262 1.0328 1.0313 0.7211 3120804 ChemDiv3_011252 O=C(N1CCCC1)c2ccc3c(=O)n4CCCCCc4nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P11 compound treatment -0.007 -0.018626 -0.0971 -0.007 -0.02727 -0.1515 0.084 0.06162 0.3485 0.0576 0.147 3033472 ChemDiv3_011253 Cc1ccc2OCC(=O)N(CCCC(=O)N3CCCCC3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P12 compound treatment -0.08 -0.091626 -0.4776 -0.027 -0.04727 -0.2627 -0.013 -0.03538 -0.2001 -0.5429 -0.9351 3120805 ChemDiv3_011254 CCOc1ccc(CCNC(=O)c2ccc3c(=O)n4CCCCCc4nc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P13 compound treatment 0.135 0.12337 0.6431 0.0 -0.02027 -0.1126 0.026 0.0036202 0.0205 0.3181 0.4869 3033474 ChemDiv3_011255 Cc1n(Cc2ccccc2F)c(C)c3c(=O)n(CC(=O)O)ncc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P14 compound treatment 0.0 -0.011626 -0.0606 -0.036 -0.05627 -0.3127 -0.019 -0.04138 -0.234 -0.3506 -0.8871 3120806 ChemDiv3_011256 Cc1nc2ccc(cc2s1)S(=O)(=O)NC(C(=O)Nc3ccccc3C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P15 compound treatment -0.065 -0.076626 -0.3994 0.138 0.11773 0.6542 0.039 0.01662 0.094 0.2014 0.2608 3120807 ChemDiv3_011257 CCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)c3ccc4n(C5CCCC5)c(C)nc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P16 compound treatment 0.178 0.16637 0.8672 0.0 -0.02027 -0.1126 0.188 0.16562 0.9366 0.9764 0.762 3033476 ChemDiv3_011258 CN1CCN(CCNC(=O)Cn2cccc2C(=O)c3ccccc3)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P17 compound treatment 0.076 0.064374 0.3355 0.116 0.09573 0.532 -0.039 -0.06138 -0.3471 0.3005 0.4182 1041646 ChemDiv3_011259 Cn1c(cc2ccccc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P18 compound treatment 0.202 0.19037 0.9923 -0.178 -0.19827 -1.1018 0.101 0.07862 0.4446 0.1935 0.125 3120808 ChemDiv3_011260 O=C(NCc1ccccn1)c2ccc3nc(sc3c2)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P19 compound treatment 0.169 0.15737 0.8203 0.0 -0.02027 -0.1126 -0.03 -0.05238 -0.2962 0.2375 0.2701 3033479 ChemDiv3_011261 CC1CN(C(=O)n2ccnc2)c3cc(C)ccc3O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P20 compound treatment 0.15 0.13837 0.7212 0.196 0.17573 0.9766 -0.358 -0.38038 -2.1511 -0.2617 -0.106 3120989 ChemDiv3_011262 Cc1cccc(N2CCN(CCNC(=O)c3ccc4nc(sc4c3)N5CCOCC5)CC2)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P21 compound treatment -0.006 -0.017626 -0.0919 -0.073 -0.09327 -0.5183 0.012 -0.01038 -0.0587 -0.3862 -0.7291 3120990 ChemDiv3_011263 CC1CCN(CC1)C(=O)Cn2cnc3n(ncc3c2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P22 compound treatment -0.09 -0.10163 -0.5297 0.129 0.10873 0.6042 0.101 0.07862 0.4446 0.2997 0.3264 3033490 ChemDiv3_011264 OC(=O)c1ccc(CNCCc2ccccc2)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P23 mock treatment 0.022 0.010374 0.0541 0.007 -0.01327 -0.0737 -0.047 -0.06938 -0.3924 -0.2379 -0.5905 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2032 P24 mock treatment 0.058 0.046374 0.2417 -0.089 -0.10927 -0.6072 0.039 0.01662 0.094 -0.1568 -0.2374 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A01 compound treatment -0.03 -0.041626 -0.217 0.0 -0.02027 -0.1126 -0.055 -0.07738 -0.4376 -0.4429 -0.8837 3033492 ChemDiv3_011265 CC(CCc1ccccc1)NCc2ccc(s2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A02 compound treatment 0.045 0.033374 0.174 0.469 0.44873 2.4937 -0.103 -0.12538 -0.709 1.1308 0.4352 3033494 ChemDiv3_011266 CC(C)NC(=O)C(C)n1c2ccccc2c3cnn(C)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A03 compound treatment 0.027 0.015374 0.0801 -0.007 -0.02727 -0.1515 -0.118 -0.14038 -0.7939 -0.4996 -0.6151 1135416 ChemDiv3_011267 CN1C(=O)CC(c2ccccc2)S(=O)(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A04 compound treatment -0.113 -0.12463 -0.6496 -0.069 -0.08927 -0.4961 0.125 0.10262 0.5803 -0.3264 -0.3256 3033498 ChemDiv3_011268 CCc1cccc(NC(=O)C2CCN(CC2)c3nn4c(=O)cc(C)nc4s3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A05 compound treatment 0.06 0.048374 0.2521 0.025 0.00473 0.0263 0.075 0.05262 0.2976 0.3326 0.8507 3034261 ChemDiv3_011269 Cc1cccc(CSc2nc3ccncc3n2CC(=O)N4CCCC4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A06 compound treatment -0.047 -0.058626 -0.3056 0.0 -0.02027 -0.1126 0.413 0.39062 2.209 1.0339 0.463 3120991 ChemDiv3_011270 CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c3cccc(C)c3C)c(=O)c4cc5occc5n14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A07 compound treatment 0.292 0.28037 1.4614 0.224 0.20373 1.1322 0.196 0.17362 0.9819 2.0643 0.9862 3034263 ChemDiv3_011271 Cc1ccc(Cn2c(SCc3cccc(c3)C(F)(F)F)nc4ccncc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A08 compound treatment -0.145 -0.15663 -0.8164 -0.197 -0.21727 -1.2074 0.075 0.05262 0.2976 -0.9966 -0.67 3120992 ChemDiv3_011272 CCc1nn(CC(=O)N(C)C2CCCCC2)c(=O)c3cc4cc(C)ccc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A09 compound treatment -0.057 -0.068626 -0.3577 0.13 0.10973 0.6098 0.079 0.05662 0.3202 0.3304 0.4257 3120993 ChemDiv3_011273 COc1cccc(Cn2c(SCc3ccc(cc3)C(=O)NC4CCCC4)nc5ccncc25)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A10 compound treatment 0.153 0.14137 0.7369 0.29 0.26973 1.4989 0.099 0.07662 0.4333 1.541 0.8931 3034269 ChemDiv3_011274 CCn1c(cc2oc3ccccc3c12)C(=O)NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A11 compound treatment -0.128 -0.13963 -0.7278 -0.164 -0.18427 -1.024 -0.135 -0.15738 -0.89 -1.5252 -0.9907 3120994 ChemDiv3_011275 Cn1c2ccccc2c3cnn(CC(=O)NCc4ccc5OCOc5c4)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A12 compound treatment -0.027 -0.038626 -0.2013 0.013 -0.00727 -0.0404 0.0 -0.02238 -0.1266 -0.2126 -0.8815 3120995 ChemDiv3_011276 CC(NC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O)c4ccc5OCCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A13 compound treatment 0.015 0.0033745 0.0176 0.0 -0.02027 -0.1126 0.027 0.0046202 0.0261 -0.0398 -0.3402 3034274 ChemDiv3_011277 CNC(=O)Cn1ncc2c3ccccc3n(Cc4cc(C)ccc4C)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A14 compound treatment 0.135 0.12337 0.6431 -0.029 -0.04927 -0.2738 -0.062 -0.08438 -0.4772 -0.0623 -0.0736 3034277 ChemDiv3_011278 Nc1nc(CNC(=O)c2ccccc2)n[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A15 compound treatment 0.173 0.16137 0.8411 0.072 0.05173 0.2875 0.056 0.03362 0.1901 0.7614 0.8376 3120996 ChemDiv3_011279 CC1CCc2nn(CC(=O)N3CCCC3)cc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A16 compound treatment -0.06 -0.071626 -0.3733 0.117 0.09673 0.5375 -0.043 -0.06538 -0.3697 -0.1187 -0.1579 3033160 ChemDiv3_011280 c1csc(c1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A17 compound treatment 0.0 -0.011626 -0.0606 -0.067 -0.08727 -0.485 0.127 0.10462 0.5916 0.0266 0.0347 3120997 ChemDiv3_011281 O=C(N1CCC2(CC1)OCCO2)c3cnn(c3n4cccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A18 compound treatment 0.298 0.28637 1.4927 0.497 0.47673 2.6493 -0.006 -0.02838 -0.1605 2.2987 0.7549 3033163 ChemDiv3_011282 CN(CCC#N)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A19 compound treatment 0.14 0.12837 0.6691 -0.014 -0.03427 -0.1904 0.535 0.51262 2.899 1.9501 0.6541 3120998 ChemDiv3_011283 Cc1nn(c(c1C(=O)N2CCCC2)n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A20 compound treatment -0.117 -0.12863 -0.6704 0.15 0.12973 0.7209 0.203 0.18062 1.0214 0.6189 0.4363 3120999 ChemDiv3_011284 CCN(CC)C(=O)CSc1ncnc2n(Cc3ccc(F)cc3)nnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A21 compound treatment 0.0 -0.011626 -0.0606 -0.012 -0.03227 -0.1793 0.034 0.01162 0.0657 -0.1006 -0.502 3033170 ChemDiv3_011285 Clc1ccc(CCNC(=O)Cn2c3ccccc3c4cn[nH]c(=O)c24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A22 compound treatment -0.072 -0.083626 -0.4359 -0.053 -0.07327 -0.4072 -0.05 -0.07238 -0.4093 -0.7231 -0.9995 3121000 ChemDiv3_011286 COc1ccc(cc1)n2nnc3c(SCC(=O)Nc4cccc(c4)C(F)(F)F)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A23 mock treatment 0.043 0.031374 0.1635 0.052 0.03173 0.1763 -0.052 -0.07438 -0.4206 -0.0466 -0.0962 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 A24 mock treatment -0.099 -0.11063 -0.5766 0.046 0.02573 0.143 0.021 -0.0013798 -0.0078 -0.2549 -0.429 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B01 compound treatment 0.0 -0.011626 -0.0606 0.125 0.10473 0.582 0.132 0.10962 0.6199 0.6589 0.773 3033174 ChemDiv3_011287 Cc1cc(C)c2c(nn3c(C)c(CCC(=O)NC4CCCC4)c(C)nc23)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B02 compound treatment -0.055 -0.066626 -0.3473 -0.029 -0.04927 -0.2738 0.095 0.07262 0.4107 -0.1215 -0.2013 3121001 ChemDiv3_011288 CN(CCCn1cnc2c3ccccc3[nH]c2c1=O)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B03 compound treatment -0.032 -0.043626 -0.2274 0.344 0.32373 1.799 0.366 0.34362 1.9432 2.0293 0.7635 3121002 ChemDiv3_011289 CCC(C)NC(=O)CC(c1ccc(OC)cc1)n2cccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B04 compound treatment -0.088 -0.099626 -0.5193 0.326 0.30573 1.699 0.288 0.26562 1.5021 1.5484 0.6655 3033180 ChemDiv3_011290 CCn1cc(/C=C(\NC(=O)c2ccccc2)/C(=O)N3CCCC3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B05 compound treatment 4.406 4.3944 8.8911 3.519 3.4987 8.947 0.222 0.19962 1.1289 10.9506 0.8647 3121003 ChemDiv3_011291 CCc1ccc(cc1)c2nc(C(=O)N)c3[nH]c(=O)n(c4ccccc4)c3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B06 compound treatment -0.159 -0.17063 -0.8893 0.107 0.08673 0.482 0.173 0.15062 0.8518 0.2566 0.194 3121004 ChemDiv3_011292 Cc1ccc2n(CC(=O)OCc3ccccc3)c4nc5ccccc5nc4c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B07 compound treatment -0.096 -0.10763 -0.561 0.024 0.00373 0.0207 0.164 0.14162 0.8009 0.1505 0.1539 3033248 ChemDiv3_011293 CCS(=O)(=O)NCCc1csc(C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B08 compound treatment -0.013 -0.024626 -0.1284 0.115 0.09473 0.5264 0.269 0.24662 1.3947 1.035 0.6918 3121005 ChemDiv3_011294 CCCCn1c(CCNC(=O)C(C)C)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B09 compound treatment 0.158 0.14637 0.7629 -0.079 -0.09927 -0.5517 0.247 0.22462 1.2703 0.8554 0.541 3121006 ChemDiv3_011295 OC(=O)C1CC=CCC1C(=O)NCCc2csc(n2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B10 compound treatment -0.025 -0.036626 -0.1909 -0.354 -0.37427 -2.0799 -0.285 -0.30738 -1.7383 -2.3146 -0.8518 3033253 ChemDiv3_011296 C(Cn1c(nc2ccccc12)c3ccco3)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B11 compound treatment 0.03 0.018374 0.0958 -0.03 -0.05027 -0.2794 0.065 0.04262 0.241 0.0332 0.087 3121007 ChemDiv3_011297 O=C(CC1CCCCC1)NCc2cn3ccsc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B12 compound treatment 0.024 0.012374 0.0645 -0.058 -0.07827 -0.435 0.019 -0.0033798 -0.0191 -0.2249 -0.511 3033257 ChemDiv3_011298 Cc1cccc(c1)c2nc3ccccc3n2CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B13 compound treatment -0.02 -0.031626 -0.1648 -0.007 -0.02727 -0.1515 -0.034 -0.05638 -0.3188 -0.3667 -0.9413 3121008 ChemDiv3_011299 Cc1csc2nc(CNS(=O)(=O)c3ccccc3)cn12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B14 compound treatment -0.048 -0.059626 -0.3108 0.096 0.07573 0.4208 0.064 0.04162 0.2354 0.1994 0.3476 3033260 ChemDiv3_011300 Clc1ccc(OCCn2cnc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B15 compound treatment 0.071 0.059374 0.3095 0.162 0.14173 0.7876 0.04 0.01762 0.0996 0.6909 0.8109 3121009 ChemDiv3_011301 Cc1ccc(C)c(CN(C2=NC3CS(=O)(=O)CC3S2)c4cccc(Cl)c4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B16 compound treatment -0.128 -0.13963 -0.7278 0.408 0.38773 2.1547 -0.014 -0.03638 -0.2057 0.7051 0.3088 3121010 ChemDiv3_011302 Cc1cccc(OCCn2c(nc3ccccc23)c4cccc(C)c4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B17 compound treatment -0.106 -0.11763 -0.6131 0.079 0.05873 0.3264 -0.034 -0.05638 -0.3188 -0.3496 -0.4575 3033265 ChemDiv3_011303 CCn1c(C)c(CCC(=O)NCCCc2ccccc2)c(=O)n3nc(cc13)c4ccccc4OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B18 compound treatment 0.106 0.094374 0.4919 0.041 0.02073 0.1152 0.238 0.21562 1.2194 1.0545 0.7989 3121011 ChemDiv3_011304 CC(C)c1ccc(Cn2c(CCNC(=O)C)nc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B19 compound treatment 0.0 -0.011626 -0.0606 0.116 0.09573 0.532 -0.067 -0.08938 -0.5055 -0.0197 -0.0267 3033337 ChemDiv3_011305 CNC(=O)Nc1ccc2snnc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B20 compound treatment -0.07 -0.081626 -0.4255 0.246 0.22573 1.2544 -0.147 -0.16938 -0.9579 -0.0744 -0.0455 1332733 ChemDiv3_011306 OC(=O)Cn1nnc(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B21 compound treatment -0.013 -0.024626 -0.1284 -0.006 -0.02627 -0.146 -0.018 -0.04038 -0.2284 -0.2902 -0.9678 3121012 ChemDiv3_011307 O=C(NC1=NCCS1)Nc2ccc3snnc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B22 compound treatment 0.095 0.083374 0.4346 0.549 0.52873 2.9382 0.289 0.26662 1.5078 2.8178 0.8459 1020992 ChemDiv3_011308 CN1CCN(CC1)C(=O)c2ccc(N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B23 mock treatment -0.043 -0.054626 -0.2847 0.103 0.08273 0.4597 0.052 0.02962 0.1675 0.1978 0.3493 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 B24 mock treatment 0.012 3.7448E-4 0.002 -0.03 -0.05027 -0.2794 0.045 0.02262 0.1279 -0.0863 -0.2809 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C01 compound treatment 0.24 0.22837 1.1903 0.086 0.06573 0.3653 0.071 0.04862 0.275 1.0569 0.8288 3121013 ChemDiv3_011309 O=C(CC(=O)Nc1ccccn1)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C02 compound treatment 0.063 0.051374 0.2678 0.046 0.02573 0.143 0.132 0.10962 0.6199 0.5951 0.8621 3121014 ChemDiv3_011310 CCCNC(=O)C(C)n1c2ccccc2c3cnn(C)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C03 compound treatment 0.072 0.060374 0.3147 0.017 -0.00327 -0.0182 0.0 -0.02238 -0.1266 0.0981 0.2889 3033345 ChemDiv3_011311 COc1ccc(Cl)cc1NC(=O)CN2C(=O)CC(c3ccccc3)S(=O)(=O)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C04 compound treatment -0.054 -0.065626 -0.3421 0.052 0.03173 0.1763 0.235 0.21262 1.2024 0.5985 0.4741 3121015 ChemDiv3_011312 CN(CC(=O)N1CCCCC1)c2nn3c(=O)cc(C)nc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C05 compound treatment 0.028 0.016374 0.0853 0.173 0.15273 0.8487 0.146 0.12362 0.6991 0.9429 0.8549 3121016 ChemDiv3_011313 CCC(C(=O)NC1CCCC1)n2c(SCc3ccc(C)cc3)nc4ccncc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C06 compound treatment 0.054 0.042374 0.2209 -0.061 -0.08127 -0.4516 0.385 0.36262 2.0507 1.0507 0.4976 3033350 ChemDiv3_011314 CCc1nn(CCCC(=O)N(C)Cc2ccccc2)c(=O)c3cc4occc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C07 compound treatment -0.057 -0.068626 -0.3577 0.188 0.16773 0.9321 -0.195 -0.21738 -1.2293 -0.3781 -0.2388 3121197 ChemDiv3_011315 FC(F)(F)c1cccc(CSc2nc3ccncc3n2CC(=O)NCCC4=CCCCC4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C08 compound treatment 0.058 0.046374 0.2417 -0.065 -0.08527 -0.4739 0.024 0.0016202 0.0092 -0.1287 -0.242 3121198 ChemDiv3_011316 CCc1nn(Cc2ccccc2)c(=O)c3cc4cc(C)ccc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C09 compound treatment 0.006 -0.0056255 -0.0293 0.038 0.01773 0.0985 -0.168 -0.19038 -1.0766 -0.5816 -0.5378 3121199 ChemDiv3_011317 Cc1c(CNCc2ccc(C)cc2)c(C(=O)O)c(C)n1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C10 compound treatment 0.105 0.093374 0.4867 0.179 0.15873 0.8821 0.052 0.02962 0.1675 0.887 0.8685 3033421 ChemDiv3_011318 CC(C)NC(=O)Cn1c(C)c2cnn(c3ccccc3)c(=O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C11 compound treatment 0.029 0.017374 0.0906 -0.018 -0.03827 -0.2127 0.117 0.09462 0.5351 0.2384 0.4091 3121200 ChemDiv3_011319 CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C12 compound treatment 0.124 0.11237 0.5857 0.267 0.24673 1.3711 0.147 0.12462 0.7048 1.5367 0.9318 3033423 ChemDiv3_011320 CCN(CC)C(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C13 compound treatment 0.066 0.054374 0.2834 0.074 0.05373 0.2986 -0.019 -0.04138 -0.234 0.2009 0.4243 3121201 ChemDiv3_011321 CCN(Cc1ccccc1)C(=O)Cn2ncc3c4ccccc4n(Cc5c(C)cc(C)cc5C)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C14 compound treatment 0.006 -0.0056255 -0.0293 -0.058 -0.07827 -0.435 0.068 0.04562 0.258 -0.1191 -0.2351 3121202 ChemDiv3_011322 CCOc1ccc(cc1)c2cc(NC(=O)Nc3ccc(F)cc3)c(s2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C15 compound treatment -0.071 -0.082626 -0.4307 0.169 0.14873 0.8265 -0.07 -0.09238 -0.5224 -0.0731 -0.0684 3033427 ChemDiv3_011323 CNC(=O)Cn1cc2CC(C)CCc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C16 compound treatment -0.112 -0.12363 -0.6444 0.012 -0.00827 -0.046 -0.036 -0.05838 -0.3301 -0.5892 -0.8121 3121203 ChemDiv3_011324 O=C(NCCN1CCC(Cc2ccccc2)CC1)c3ccc(s3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C17 compound treatment 0.146 0.13437 0.7004 0.075 0.05473 0.3041 0.078 0.05562 0.3145 0.7616 0.9222 3033430 ChemDiv3_011325 O=C(N1CCCCC1)c2cnn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C18 compound treatment 0.0 -0.011626 -0.0606 0.291 0.27073 1.5045 0.132 0.10962 0.6199 1.1915 0.7318 3121204 ChemDiv3_011326 CSc1ccc(CCNC(=O)c2cc3CS(=O)(=O)c4ccccc4-c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C19 compound treatment 0.124 0.11237 0.5857 -0.18 -0.20027 -1.1129 0.078 0.05562 0.3145 -0.1228 -0.0947 3033431 ChemDiv3_011327 CCOC(=O)N1CCC(CC1)NC(=O)c2c(C)nn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C20 compound treatment 0.152 0.14037 0.7317 0.006 -0.01427 -0.0793 -0.041 -0.06338 -0.3584 0.1697 0.2073 3121205 ChemDiv3_011328 Fc1ccc(Cn2nnc3c(SCC(=O)OCc4ccccc4)ncnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C21 compound treatment 0.199 0.18737 0.9766 0.167 0.14673 0.8154 -0.006 -0.02838 -0.1605 0.942 0.7346 3121206 ChemDiv3_011329 CC(C)NC(=O)Cn1c2ccccc2c3cn[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C22 compound treatment -0.019 -0.030626 -0.1596 -0.086 -0.10627 -0.5906 -0.121 -0.14338 -0.8108 -0.9013 -0.8873 3033502 ChemDiv3_011330 CCOC(=O)C(C)Sc1ncnc2n(nnc12)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C23 mock treatment 0.047 0.035374 0.1844 0.086 0.06573 0.3653 0.013 -0.0093798 -0.053 0.2867 0.6949 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 C24 mock treatment -0.006 -0.017626 -0.0919 0.13 0.10973 0.6098 -0.007 -0.02938 -0.1661 0.2031 0.318 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D01 compound treatment -0.122 -0.13363 -0.6965 0.245 0.22473 1.2489 0.079 0.05662 0.3202 0.5038 0.3438 3121207 ChemDiv3_011331 CC(C)NC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D02 compound treatment -0.08 -0.091626 -0.4776 -0.047 -0.06727 -0.3738 0.036 0.01362 0.077 -0.4471 -0.7313 3033506 ChemDiv3_011332 CC1CCCCN1CCn2cnc3c4cc(C)ccc4[nH]c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D03 compound treatment 0.058 0.046374 0.2417 0.21 0.18973 1.0544 -0.02 -0.04238 -0.2397 0.6099 0.5505 3121208 ChemDiv3_011333 COc1ccc(cc1)C(CC(=O)Nc2cc(OC)cc(OC)c2)n3cccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D04 compound treatment 0.148 0.13637 0.7108 0.056 0.03573 0.1986 -0.047 -0.06938 -0.3924 0.2985 0.3571 3121209 ChemDiv3_011334 CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)/C(=O)N3CCc4ccccc34)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D05 compound treatment -0.169 -0.18063 -0.9415 -0.06 -0.08027 -0.4461 -0.126 -0.14838 -0.8391 -1.2856 -0.961 3033508 ChemDiv3_011335 Cc1nc(CNS(=O)(=O)c2cccs2)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D06 compound treatment -0.161 -0.17263 -0.8998 0.099 0.07873 0.4375 -0.042 -0.06438 -0.3641 -0.4771 -0.4481 3033510 ChemDiv3_011336 COc1ccc(OCCn2c(=O)oc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D07 compound treatment -0.056 -0.067626 -0.3525 -0.019 -0.03927 -0.2182 0.084 0.06162 0.3485 -0.1283 -0.2369 3121210 ChemDiv3_011337 Cc1nc(CCNS(=O)(=O)c2cccs2)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D08 compound treatment -0.106 -0.11763 -0.6131 -0.401 -0.42127 -2.3411 0.042 0.01962 0.111 -1.6415 -0.6776 3033513 ChemDiv3_011338 Cc1ccc(C)c(CSCc2nc3ccccc3[nH]2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D09 compound treatment 0.176 0.16437 0.8568 -0.038 -0.05827 -0.3238 0.006 -0.01638 -0.0926 0.2542 0.2761 3121211 ChemDiv3_011339 Cc1nn(c2ccc(C)cc2)c3nc(C)c(CCC(=O)NCc4cccs4)c(C)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D10 compound treatment 0.03 0.018374 0.0958 0.195 0.17473 0.971 0.186 0.16362 0.9253 1.1501 0.8553 3033516 ChemDiv3_011340 CCn1c(nc2ccccc12)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D11 compound treatment 0.056 0.044374 0.2313 0.295 0.27473 1.5267 0.401 0.37862 2.1412 2.2512 0.8528 3121212 ChemDiv3_011341 CCCC(=O)NCc1cn2ccsc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D12 compound treatment 0.025 0.013374 0.0697 0.109 0.08873 0.4931 0.037 0.01462 0.0827 0.3727 0.7382 3121213 ChemDiv3_011342 O=C(NCCc1nc2ccccc2n1Cc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D13 compound treatment 0.127 0.11537 0.6014 0.227 0.20673 1.1488 0.085 0.06262 0.3541 1.2149 0.9038 3033594 ChemDiv3_011343 CCCS(=O)(=O)NCc1cn2c(C)csc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D14 compound treatment -0.101 -0.11263 -0.587 0.11 0.08973 0.4986 0.107 0.08462 0.4785 0.2253 0.2484 3121214 ChemDiv3_011344 CC(=C)Cn1c(nc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D15 compound treatment -0.006 -0.017626 -0.0919 0.0 -0.02027 -0.1126 -0.013 -0.03538 -0.2001 -0.2336 -0.9445 3121215 ChemDiv3_011345 CCCN(C1=NC2CS(=O)(=O)CC2S1)c3ccccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D16 compound treatment 0.121 0.10937 0.5701 -0.028 -0.04827 -0.2682 0.337 0.31462 1.7792 1.2015 0.6366 3033600 ChemDiv3_011346 CC(=O)NCc1nc2ccccc2n1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D17 compound treatment 0.018 0.0063745 0.0332 -0.012 -0.03227 -0.1793 0.0 -0.02238 -0.1266 -0.1574 -0.7091 3121216 ChemDiv3_011347 CCn1c(C)c(CCC(=O)N2CCCC2)c(=O)n3nc(cc13)c4ccccc4OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D18 compound treatment 0.152 0.14037 0.7317 0.059 0.03873 0.2152 -0.006 -0.02838 -0.1605 0.454 0.5826 3033603 ChemDiv3_011348 CC(=O)NCCc1nc2ccccc2n1CCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D19 compound treatment -0.119 -0.13063 -0.6809 0.103 0.08273 0.4597 0.0 -0.02238 -0.1266 -0.2007 -0.2415 3033605 ChemDiv3_011349 CNC(=O)c1ccc2snnc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D20 compound treatment -0.081 -0.092626 -0.4828 0.198 0.17773 0.9877 -0.096 -0.11838 -0.6695 -0.095 -0.0738 3121217 ChemDiv3_011350 Nc1ccc(cc1)n2cnnn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D21 compound treatment 0.028 0.016374 0.0853 0.074 0.05373 0.2986 -0.117 -0.13938 -0.7882 -0.2334 -0.2755 3121218 ChemDiv3_011351 CC1CN(C(=O)Nc2ccc3snnc3c2)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D22 compound treatment 0.136 0.12437 0.6483 0.069 0.04873 0.2708 -0.019 -0.04138 -0.234 0.3955 0.5341 3033610 ChemDiv3_011352 FC(F)(F)c1ccc(nc1)N2CCN(CC2)C(=O)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D23 mock treatment -0.083 -0.094626 -0.4932 0.069 0.04873 0.2708 0.034 0.01162 0.0657 -0.0905 -0.1597 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 D24 mock treatment -0.041 -0.052626 -0.2743 0.041 0.02073 0.1152 0.048 0.02562 0.1449 -0.0082 -0.0248 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E01 compound treatment -0.034 -0.045626 -0.2378 -0.088 -0.10827 -0.6017 -0.007 -0.02938 -0.1661 -0.5806 -0.8692 3121219 ChemDiv3_011353 COc1ccc(cc1)N2C(c3c(C2=O)n(C)c4ccccc34)c5cccc(OC)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E02 compound treatment 0.16 0.14837 0.7734 -0.058 -0.07827 -0.435 -0.034 -0.05638 -0.3188 0.0113 0.012 3121220 ChemDiv3_011354 CNC(=O)C(C)n1c2ccccc2c3cn[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E03 compound treatment 0.035 0.023374 0.1218 0.082 0.06173 0.343 0.07 0.04762 0.2693 0.4239 0.9361 3033674 ChemDiv3_011355 FC(F)(F)c1ccccc1NC(=O)CN2C(=O)CC(c3ccccc3)S(=O)(=O)c4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E04 compound treatment 0.171 0.15937 0.8307 -0.038 -0.05827 -0.3238 -0.038 -0.06038 -0.3415 0.0955 0.1 3121221 ChemDiv3_011356 Cc1nn(CC(=O)NCC2CCCO2)c(=O)c3cc4occc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E05 compound treatment 0.033 0.021374 0.1114 0.063 0.04273 0.2375 0.089 0.06662 0.3767 0.4189 0.9126 3033676 ChemDiv3_011357 Cc1cc(C)c(Cn2c(SCc3cccc(F)c3)nc4ccncc24)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E06 compound treatment -0.023 -0.034626 -0.1805 0.634 0.61373 3.4106 0.133 0.11062 0.6256 2.2261 0.6411 3121222 ChemDiv3_011358 CCOc1ccc(NC(=O)CCCn2nc(CC)n3c4ccoc4cc3c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E07 compound treatment 0.093 0.081374 0.4241 0.162 0.14173 0.7876 0.336 0.31362 1.7736 1.7236 0.8677 3121223 ChemDiv3_011359 CC(C)CCNC(=O)Cn1c(SCc2c(F)cccc2Cl)nc3ccncc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E08 compound treatment 0.053 0.041374 0.2157 0.063 0.04273 0.2375 -0.181 -0.20338 -1.1502 -0.4024 -0.337 3121224 ChemDiv3_011360 Cn1c(cc2oc3ccccc3c12)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E09 compound treatment -0.021 -0.032626 -0.1701 -0.044 -0.06427 -0.3572 -0.082 -0.10438 -0.5903 -0.6452 -0.908 3121225 ChemDiv3_011361 CC(NCc1c(C)n(Cc2ccccc2)c(C)c1C(=O)O)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E10 compound treatment 0.253 0.24137 1.2581 0.24 0.21973 1.2211 0.056 0.03362 0.1901 1.5411 0.8739 3033681 ChemDiv3_011362 CCC(C(=O)Nc1ccc(OC)c(OC)c1)n2c(C)c3cnn(c4ccccc4)c(=O)c3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E11 compound treatment -0.031 -0.042626 -0.2222 -0.149 -0.16927 -0.9407 -0.107 -0.12938 -0.7317 -1.0938 -0.9023 3121401 ChemDiv3_011363 O=C(Cn1ncc2c3ccccc3n(Cc4ccccc4)c2c1=O)N5CCOCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E12 compound treatment 0.06 0.048374 0.2521 -0.032 -0.05227 -0.2905 -0.115 -0.13738 -0.7769 -0.4707 -0.5429 3033685 ChemDiv3_011364 Cc1n(Cc2ccccc2F)c(C)c3c(=O)n(CC(=O)N4CCC5(CC4)OCCO5)ncc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E13 compound treatment 0.099 0.087374 0.4554 0.007 -0.01327 -0.0737 -0.141 -0.16338 -0.9239 -0.3131 -0.3032 3121402 ChemDiv3_011365 NC(=O)C1CCN(CC1)C(=O)Cn2ncc3c4ccccc4n(Cc5ccc(F)cc5)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E14 compound treatment 0.0 -0.011626 -0.0606 0.059 0.03873 0.2152 0.019 -0.0033798 -0.0191 0.0782 0.3487 3033687 ChemDiv3_011366 O=c1[nH]cnc2cc(sc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E15 compound treatment -0.061 -0.072626 -0.3785 -0.067 -0.08727 -0.485 -0.07 -0.09238 -0.5224 -0.8002 -0.9914 3121403 ChemDiv3_011367 CCCCN(C)C(=O)Cn1cc2CCCCCc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E16 compound treatment 0.0 -0.011626 -0.0606 -0.007 -0.02727 -0.1515 -0.024 -0.04638 -0.2623 -0.2739 -0.8867 3033689 ChemDiv3_011368 CCOC(=O)c1cccc(NC(=O)c2ccc(s2)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E17 compound treatment 0.117 0.10537 0.5492 -0.114 -0.13427 -0.7462 -0.092 -0.11438 -0.6468 -0.4871 -0.4311 3121404 ChemDiv3_011369 O=C(NCc1ccccc1)c2cnn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E18 compound treatment -0.046 -0.057626 -0.3004 0.067 0.04673 0.2597 -0.017 -0.03938 -0.2227 -0.1521 -0.334 3121405 ChemDiv3_011370 COc1ccccc1NC(=O)CSc2ncnc3n(Cc4ccccc4)nnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E19 compound treatment 0.044 0.032374 0.1687 0.028 0.00773 0.043 -0.115 -0.13738 -0.7769 -0.3263 -0.4099 3121406 ChemDiv3_011371 COc1cc(OC)c(NC(=O)c2c(C)nn(c2n3cccc3)c4ccccc4)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E20 compound treatment -0.195 -0.20663 -1.077 0.019 -0.00127 -0.0071 -0.135 -0.15738 -0.89 -1.1397 -0.8157 3033749 ChemDiv3_011372 Fc1ccc(Cn2nnc3c(SCC(=O)c4ccccc4)ncnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E21 compound treatment -0.055 -0.066626 -0.3473 -0.037 -0.05727 -0.3183 -0.02 -0.04238 -0.2397 -0.5226 -0.9888 3121407 ChemDiv3_011373 CC1CCC(CC1)NC(=O)Cn2c3ccccc3c4cn[nH]c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E22 compound treatment 0.059 0.047374 0.2469 -0.063 -0.08327 -0.4627 0.08 0.05762 0.3259 0.0635 0.1029 3033752 ChemDiv3_011374 OC(=O)CCc1nc2ncccc2c(=O)n1Cc3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E23 mock treatment 0.058 0.046374 0.2417 -0.021 -0.04127 -0.2293 0.019 -0.0033798 -0.0191 -0.0039 -0.0117 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 E24 mock treatment -0.038 -0.049626 -0.2587 -0.128 -0.14827 -0.824 0.161 0.13862 0.7839 -0.1725 -0.1479 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F01 compound treatment 0.039 0.027374 0.1427 -0.028 -0.04827 -0.2682 0.066 0.04362 0.2467 0.0699 0.1787 3121408 ChemDiv3_011375 Cc1cc(C)c2c(nn3c(C)c(CCC(=O)NCCc4ccccc4)c(C)nc23)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F02 compound treatment -0.13 -0.14163 -0.7382 0.073 0.05273 0.293 0.028 0.0056202 0.0318 -0.2387 -0.3003 3033756 ChemDiv3_011376 CCC1CCCN1Cn2cnc3c4cc(C)ccc4[nH]c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F03 compound treatment 0.019 0.0073745 0.0384 0.019 -0.00127 -0.0071 0.013 -0.0093798 -0.053 -0.0125 -0.1898 3121409 ChemDiv3_011377 COc1ccc(NC(=O)C(C)n2cccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F04 compound treatment 0.028 0.016374 0.0853 0.118 0.09773 0.5431 -0.059 -0.08138 -0.4602 0.0971 0.1355 3121410 ChemDiv3_011378 CCn1c(CCNC(=O)C2CCCCC2)nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F05 compound treatment 0.013 0.0013745 0.0072 -0.032 -0.05227 -0.2905 -0.06 -0.08238 -0.4659 -0.4325 -0.7878 3033761 ChemDiv3_011379 Cc1ccc(c(C)c1)S(=O)(=O)NCc2csc(n2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F06 compound treatment -0.079 -0.090626 -0.4724 -0.023 -0.04327 -0.2405 -0.02 -0.04238 -0.2397 -0.5499 -0.9453 3121411 ChemDiv3_011380 CC(C)Oc1ccccc1Cn2c(=O)oc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F07 compound treatment -0.094 -0.10563 -0.5505 0.108 0.08773 0.4875 0.048 0.02562 0.1449 0.0473 0.0631 3033762 ChemDiv3_011381 Cc1nc(CCNS(=O)(=O)c2ccc(C)cc2)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F08 compound treatment -0.044 -0.055626 -0.2899 0.074 0.05373 0.2986 0.025 0.0026202 0.0148 0.0136 0.0325 1240157 ChemDiv3_011382 CC(SCc1nc2ccccc2[nH]1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F09 compound treatment 0.033 0.021374 0.1114 0.047 0.02673 0.1485 -0.132 -0.15438 -0.873 -0.354 -0.3966 3121412 ChemDiv3_011383 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)Nc4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F10 compound treatment 0.006 -0.0056255 -0.0293 -0.065 -0.08527 -0.4739 0.013 -0.0093798 -0.053 -0.3211 -0.6722 3033767 ChemDiv3_011384 CC(C)Cc1ccc(cc1)C(C)c2nc3ccccc3n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F11 compound treatment -0.019 -0.030626 -0.1596 0.059 0.03873 0.2152 0.171 0.14862 0.8405 0.5173 0.5865 3121413 ChemDiv3_011385 CC(C)(C)CC(=O)NCc1cn2ccsc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F12 compound treatment 0.024 0.012374 0.0645 0.006 -0.01427 -0.0793 0.0 -0.02238 -0.1266 -0.0816 -0.5017 3034195 ChemDiv3_011386 Cn1c(CCCO)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F13 compound treatment 0.049 0.037374 0.1948 -0.076 -0.09627 -0.535 0.02 -0.0023798 -0.0135 -0.2042 -0.3585 3121414 ChemDiv3_011387 Cc1ccc(cc1)c2nc3ncccn3c2NC(=O)C4CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F14 compound treatment -0.039 -0.050626 -0.2639 0.055 0.03473 0.193 0.072 0.04962 0.2806 0.1211 0.2811 3034197 ChemDiv3_011388 C(c1ccccc1)n2c(nc3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F15 compound treatment -0.093 -0.10463 -0.5453 -0.16 -0.18027 -1.0018 0.189 0.16662 0.9423 -0.3492 -0.236 3121415 ChemDiv3_011389 Cc1nn2c(C)c(CC(=O)Nc3cc(C)ccc3C)c(C)nc2c1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F16 compound treatment -0.053 -0.064626 -0.3368 0.018 -0.00227 -0.0126 0.113 0.09062 0.5125 0.0941 0.1534 3034200 ChemDiv3_011390 CCCC(=O)NCc1nc2ccccc2n1C(C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F17 compound treatment 0.11 0.098374 0.5128 0.07 0.04973 0.2764 0.106 0.08362 0.4729 0.7286 0.9711 3121416 ChemDiv3_011391 CC1CCN(CC1)C(=O)CCc2c(C)nc3n(C)nc(C)c3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F18 compound treatment -0.068 -0.079626 -0.415 -0.012 -0.03227 -0.1793 0.076 0.05362 0.3032 -0.1681 -0.3088 3034205 ChemDiv3_011392 CC(=O)NCCc1nc2ccccc2n1CCOc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F19 compound treatment -0.102 -0.11363 -0.5922 -0.05 -0.07027 -0.3905 0.007 -0.01538 -0.087 -0.6176 -0.8641 3121417 ChemDiv3_011393 CCc1ccccc1NC(=O)c2ccc3snnc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F20 compound treatment 0.136 0.12437 0.6483 -0.006 -0.02627 -0.146 -0.032 -0.05438 -0.3075 0.1124 0.1536 3034210 ChemDiv3_011394 Cc1cc(C)n(CCC(=O)O)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F21 compound treatment 0.028 0.016374 0.0853 -0.109 -0.12927 -0.7184 0.146 0.12362 0.6991 0.0381 0.0379 3121418 ChemDiv3_011395 CC1(CC2CC(C)(C)C1)CN2C(=O)Nc3ccc4snnc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F22 compound treatment 0.091 0.079374 0.4137 -0.044 -0.06427 -0.3572 0.075 0.05262 0.2976 0.2045 0.3285 3121419 ChemDiv3_011396 CCOc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F23 mock treatment 0.175 0.16337 0.8515 0.012 -0.00827 -0.046 0.0 -0.02238 -0.1266 0.392 0.4547 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 F24 mock treatment -0.095 -0.10663 -0.5558 0.147 0.12673 0.7043 -0.007 -0.02938 -0.1661 -0.0102 -0.0112 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G01 compound treatment -0.013 -0.024626 -0.1284 0.052 0.03173 0.1763 0.046 0.02362 0.1336 0.1048 0.4098 3034280 ChemDiv3_011397 CCN1C(=O)CCS(=O)(=O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G02 compound treatment -0.053 -0.064626 -0.3368 -0.045 -0.06527 -0.3627 -0.133 -0.15538 -0.8787 -0.9112 -0.9035 3121420 ChemDiv3_011398 CCC(C(=O)NCc1ccccc1)n2c3ccccc3c4cn[nH]c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G03 compound treatment -0.017 -0.028626 -0.1492 -0.012 -0.03227 -0.1793 0.0 -0.02238 -0.1266 -0.2627 -0.99 3121421 ChemDiv3_011399 O=C(CN1C(=O)CC(c2ccccc2)S(=O)(=O)c3ccccc13)NC4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G04 compound treatment 0.051 0.039374 0.2052 0.0 -0.02027 -0.1126 0.35 0.32762 1.8528 1.1231 0.6014 3034289 ChemDiv3_011400 CCc1nn(CC(=O)NC2CC2)c(=O)c3cc4occc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G05 compound treatment 0.069 0.057374 0.299 0.128 0.10773 0.5987 -0.04 -0.06238 -0.3528 0.3146 0.4159 3121422 ChemDiv3_011401 CCC(C(=O)Nc1ccccc1F)n2c(SCc3ccc(F)cc3)nc4ccncc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G06 compound treatment -0.148 -0.15963 -0.832 0.083 0.06273 0.3486 0.274 0.25162 1.423 0.5425 0.322 3034293 ChemDiv3_011402 O=C(CCCn1ncn2c3ccoc3cc2c1=O)NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G07 compound treatment 0.045 0.033374 0.174 -0.006 -0.02627 -0.146 0.187 0.16462 0.931 0.5536 0.5778 3034296 ChemDiv3_011403 Cc1ccccc1NC(=O)Nc2cc3sccc3n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G08 compound treatment -0.078 -0.089626 -0.4671 0.057 0.03673 0.2041 0.072 0.04962 0.2806 0.0101 0.0174 3121423 ChemDiv3_011404 Cn1c(cc2oc3ccccc3c12)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G09 compound treatment 0.031 0.019374 0.101 0.089 0.06873 0.3819 -0.067 -0.08938 -0.5055 -0.013 -0.0203 3121424 ChemDiv3_011405 CC(CCc1ccccc1)NCc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G10 compound treatment 0.233 0.22137 1.1539 0.159 0.13873 0.7709 0.193 0.17062 0.9649 1.6684 0.9871 3034299 ChemDiv3_011406 CN(Cc1ccccc1)C(=O)CCCn2c(C)c3cnn(c4ccccc4)c(=O)c3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G11 compound treatment 0.0 -0.011626 -0.0606 -0.048 -0.06827 -0.3794 0.086 0.06362 0.3598 -0.0463 -0.088 3121425 ChemDiv3_011407 COc1cccc(NC(=O)Cn2ncc3c4ccccc4n(Cc5ccccc5)c3c2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G12 compound treatment -0.263 -0.27463 -1.4314 -0.319 -0.33927 -1.8854 -0.139 -0.16138 -0.9126 -2.4419 -0.9625 3121426 ChemDiv3_011408 COC(=O)c1ccc(c2ccco2)n1Cc3nc(oc3C)c4ccccc4F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G13 compound treatment -0.113 -0.12463 -0.6496 -0.163 -0.18327 -1.0185 -0.007 -0.02938 -0.1661 -1.059 -0.8685 3034302 ChemDiv3_011409 CNC(=O)Cn1ncc2c3ccccc3n(Cc4ccccc4F)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G14 compound treatment -0.046 -0.057626 -0.3004 0.065 0.04473 0.2486 0.047 0.02462 0.1392 0.0505 0.122 3121427 ChemDiv3_011410 CCOc1ccc(cc1)c2cc3[nH]c(=O)n(c4ccccc4C(F)(F)F)c(=O)c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G15 compound treatment 0.042 0.030374 0.1583 0.152 0.13173 0.732 0.164 0.14162 0.8009 0.9764 0.8905 3033183 ChemDiv3_011411 O=C(Cn1cc2CCCCCc2n1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G16 compound treatment -0.02 -0.031626 -0.1648 0.014 -0.00627 -0.0348 0.045 0.02262 0.1279 -0.0414 -0.1959 3121428 ChemDiv3_011412 CN(Cc1ccccc1)C(=O)c2cc3CS(=O)(=O)c4ccccc4-c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G17 compound treatment 0.39 0.37837 1.9722 -0.032 -0.05227 -0.2905 0.27 0.24762 1.4003 1.7794 0.7304 3033185 ChemDiv3_011413 CCCNC(=O)c1cnn(c1n2cccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G18 compound treatment -0.054 -0.065626 -0.3421 0.046 0.02573 0.143 0.158 0.13562 0.767 0.3279 0.3849 3121600 ChemDiv3_011414 O=C(CSc1ncnc2n(Cc3ccccc3)nnc12)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G19 compound treatment -0.12 -0.13163 -0.6861 0.102 0.08173 0.4542 -0.099 -0.12138 -0.6864 -0.5302 -0.4948 3121601 ChemDiv3_011415 COC(=O)c1ccccc1NC(=O)c2c(C)nn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G20 compound treatment -0.006 -0.017626 -0.0919 0.106 0.08573 0.4764 0.006 -0.01638 -0.0926 0.1685 0.3412 3033190 ChemDiv3_011416 Cc1ccc(cc1)n2nnc3c(SCC(=O)N4CCCC4)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G21 compound treatment -0.1 -0.11163 -0.5818 -0.04 -0.06027 -0.3349 0.095 0.07262 0.4107 -0.2922 -0.3713 3121602 ChemDiv3_011417 O=C(Cn1c2ccccc2c3cn[nH]c(=O)c13)NCCC4=CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G22 compound treatment 0.146 0.13437 0.7004 0.062 0.04173 0.2319 0.176 0.15362 0.8688 1.0398 0.9123 3033194 ChemDiv3_011418 COc1ccc(Cn2c(CCC(=O)NCCC3=CCCCC3)nc4ncccc4c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G23 mock treatment -0.075 -0.086626 -0.4515 0.108 0.08773 0.4875 -0.036 -0.05838 -0.3301 -0.1698 -0.2289 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 G24 mock treatment 0.054 0.042374 0.2209 0.055 0.03473 0.193 0.0 -0.02238 -0.1266 0.1659 0.5193 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H01 compound treatment -0.071 -0.082626 -0.4307 0.181 0.16073 0.8932 0.091 0.06862 0.3881 0.4911 0.4612 3121603 ChemDiv3_011419 Cc1ccc(NC(=O)CCc2c(C)nc3c4c(C)cc(C)nc4nn3c2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H02 compound treatment -0.066 -0.077626 -0.4046 0.167 0.14673 0.8154 -0.056 -0.07838 -0.4433 -0.0187 -0.0185 3121604 ChemDiv3_011420 COc1ccc2[nH]c3c(=O)n(CCc4ccc(Cl)cc4)cnc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H03 compound treatment -0.013 -0.024626 -0.1284 -0.149 -0.16927 -0.9407 -0.044 -0.06638 -0.3754 -0.8339 -0.8169 3033200 ChemDiv3_011421 CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H04 compound treatment 0.054 0.042374 0.2209 0.181 0.16073 0.8932 0.157 0.13462 0.7613 1.0827 0.9067 3033269 ChemDiv3_011422 Cc1ccccc1OCCn2c(CCCNC(=O)C3CCCCC3)nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H05 compound treatment 0.188 0.17637 0.9193 0.019 -0.00127 -0.0071 0.021 -0.0013798 -0.0078 0.5222 0.568 3121605 ChemDiv3_011423 COc1ccc(cc1OC)S(=O)(=O)NCc2csc(n2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H06 compound treatment -0.116 -0.12763 -0.6652 -0.12 -0.14027 -0.7795 0.125 0.10262 0.5803 -0.4991 -0.4238 3033273 ChemDiv3_011424 C=Cn1c2ccccc2c3nc4ccccc4nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H07 compound treatment -0.036 -0.047626 -0.2482 0.164 0.14373 0.7987 0.012 -0.01038 -0.0587 0.2839 0.3386 3121606 ChemDiv3_011425 CCS(=O)(=O)NCCc1csc(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H08 compound treatment 0.013 0.0013745 0.0072 -0.066 -0.08627 -0.4794 -0.134 -0.15638 -0.8844 -0.7832 -0.7786 3033278 ChemDiv3_011426 C(CC1CCCCC1)SCc2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H09 compound treatment -0.076 -0.087626 -0.4567 0.116 0.09573 0.532 0.0 -0.02238 -0.1266 -0.0296 -0.0416 3121607 ChemDiv3_011427 CCN(C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H10 compound treatment -0.032 -0.043626 -0.2274 -0.122 -0.14227 -0.7906 0.02 -0.0023798 -0.0135 -0.5955 -0.7238 3033281 ChemDiv3_011428 Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H11 compound treatment 0.342 0.33037 1.722 0.079 0.05873 0.3264 0.277 0.25462 1.4399 2.014 0.8879 3121608 ChemDiv3_011429 O=C(NCc1cn2ccsc2n1)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H12 compound treatment -0.013 -0.024626 -0.1284 -0.012 -0.03227 -0.1793 0.052 0.02962 0.1675 -0.0809 -0.2922 1110029 ChemDiv3_011430 Cn1c(CO)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H13 compound treatment -0.007 -0.018626 -0.0971 0.0 -0.02027 -0.1126 0.131 0.10862 0.6143 0.2336 0.3696 3121609 ChemDiv3_011431 Cc1ccc(cc1)c2nc3ncccn3c2NC(=O)c4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H14 compound treatment 0.987 0.97537 5.0839 0.804 0.78373 4.3553 -0.006 -0.02838 -0.1605 5.3571 0.8 1582718 ChemDiv3_011432 COc1ccc(cc1OC)c2nc3ccccc3n2CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H15 compound treatment 0.067 0.055374 0.2886 0.018 -0.00227 -0.0126 0.123 0.10062 0.569 0.4879 0.7645 3033354 ChemDiv3_011433 COC(=O)C(NC(=O)Cc1c(C)nc2c(c(C)nn2c1C)c3ccccc3)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H16 compound treatment -0.012 -0.023626 -0.1231 -0.041 -0.06127 -0.3405 0.088 0.06562 0.3711 -0.0534 -0.103 3121610 ChemDiv3_011434 Clc1ccc(Cn2c(CNC(=O)COc3ccccc3)nc4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H17 compound treatment -0.018 -0.029626 -0.1544 -0.016 -0.03627 -0.2016 0.06 0.03762 0.2127 -0.0827 -0.2496 3033358 ChemDiv3_011435 COc1cccc(NC(=O)CCn2nc(c3ccccc3OC)c4c(C)cc(C)nc24)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H18 compound treatment 0.205 0.19337 1.0079 0.137 0.11673 0.6487 -0.255 -0.27738 -1.5686 0.0508 0.0257 3121611 ChemDiv3_011436 Cc1ccc2[nH]c(Sc3cccc(Cl)c3)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H19 compound treatment -0.134 -0.14563 -0.759 0.464 0.44373 2.4659 -0.006 -0.02838 -0.1605 0.8928 0.3454 3121612 ChemDiv3_011437 CSc1ccc(CCNC(=O)c2ccc3snnc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H20 compound treatment 0.073 0.061374 0.3199 0.058 0.03773 0.2097 0.287 0.26462 1.4965 1.1697 0.7573 1228192 ChemDiv3_011438 CC(C(=O)O)n1nnc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H21 compound treatment -0.042 -0.053626 -0.2795 0.051 0.03073 0.1708 0.081 0.05862 0.3315 0.1286 0.276 3121613 ChemDiv3_011439 OC(=O)CC1(Cc2nc(no2)c3ccc(Cl)cc3)CCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H22 compound treatment 0.052 0.040374 0.2104 0.172 0.15173 0.8432 0.201 0.17862 1.0101 1.1915 0.8942 3121614 ChemDiv3_011440 Cc1nc2cc(C)c(C)cc2n1CCCNC(=O)NC3(C[C@H]4C[C@@H]5C[C@H](C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H23 mock treatment -0.05 -0.061626 -0.3212 -0.152 -0.17227 -0.9573 -0.006 -0.02838 -0.1605 -0.8308 -0.8126 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 H24 mock treatment 0.096 0.084374 0.4398 -0.012 -0.03227 -0.1793 -0.098 -0.12038 -0.6808 -0.2427 -0.2924 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I01 compound treatment -0.067 -0.078626 -0.4098 -0.014 -0.03427 -0.1904 -0.034 -0.05638 -0.3188 -0.5306 -0.9595 3121615 ChemDiv3_011441 O=C1CCS(=O)(=O)c2ccccc2N1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I02 compound treatment 0.006 -0.0056255 -0.0293 0.0 -0.02027 -0.1126 0.06 0.03762 0.2127 0.0409 0.1685 3121616 ChemDiv3_011442 CCC(C(=O)NC1CCC(C)CC1)n2c3ccccc3c4cn[nH]c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I03 compound treatment 0.14 0.12837 0.6691 0.04 0.01973 0.1096 -0.015 -0.03738 -0.2114 0.3276 0.4612 3033437 ChemDiv3_011443 CCCC(=O)N1CCC(CC1)(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I04 compound treatment 0.013 0.0013745 0.0072 0.039 0.01873 0.1041 0.076 0.05362 0.3032 0.2393 0.7462 3121617 ChemDiv3_011444 CCc1nn(CC(=O)NCCc2ccc(cc2)S(=O)(=O)N)c(=O)c3cc4occc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I05 compound treatment -0.026 -0.037626 -0.1961 0.111 0.09073 0.5042 -0.085 -0.10738 -0.6073 -0.1727 -0.2124 3033442 ChemDiv3_011445 COc1ccc(cc1)c2nc(Cn3c(SCc4cc(C)ccc4C)nc5ccncc35)c(C)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I06 compound treatment -0.019 -0.030626 -0.1596 0.025 0.00473 0.0263 0.179 0.15662 0.8857 0.4344 0.4825 3121618 ChemDiv3_011446 CC1CCCCC1NC(=O)CCCn2ncn3c4ccoc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I07 compound treatment -0.098 -0.10963 -0.5714 -0.142 -0.16227 -0.9018 0.063 0.04062 0.2297 -0.7179 -0.6574 3121619 ChemDiv3_011447 Cc1cccc(Cn2c(SCc3ccc(cc3)C(=O)N4CCCCC4)nc5ccncc25)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I08 compound treatment 0.018 0.0063745 0.0332 -0.069 -0.08927 -0.4961 0.184 0.16162 0.914 0.2605 0.2503 3033446 ChemDiv3_011448 CCCNC(=O)c1cc2oc3ccccc3c2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I09 compound treatment 0.184 0.17237 0.8985 -0.058 -0.07827 -0.435 0.141 0.11862 0.6708 0.6549 0.5445 3121620 ChemDiv3_011449 Cn1c2ccccc2c3cnn(CC(=O)N4CCCC4)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I10 compound treatment 0.046 0.034374 0.1792 0.075 0.05473 0.3041 0.045 0.02262 0.1279 0.3529 0.9399 3033449 ChemDiv3_011450 Cc1n(CCCC(=O)NC2CCCCCC2)c(C)c3c(=O)n(ncc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I11 compound treatment 0.025 0.013374 0.0697 0.081 0.06073 0.3375 0.032 0.0096202 0.0544 0.2665 0.7639 3121621 ChemDiv3_011451 CCCNC(=O)Cn1ncc2c3ccccc3n(Cc4ccccc4)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I12 compound treatment 0.112 0.10037 0.5232 -0.029 -0.04927 -0.2738 -0.099 -0.12138 -0.6864 -0.2523 -0.2787 3121622 ChemDiv3_011452 COC(=O)c1ccc(c2ccco2)n1CC(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I13 compound treatment -0.098 -0.10963 -0.5714 0.078 0.05773 0.3208 0.02 -0.0023798 -0.0135 -0.1524 -0.2326 3033452 ChemDiv3_011453 O=C(Cn1cc2CCCCc2n1)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I14 compound treatment -0.127 -0.13863 -0.7225 0.007 -0.01327 -0.0737 -0.278 -0.30038 -1.6987 -1.4405 -0.7797 3034692 ChemDiv3_011454 CC(C)(C)OC(=O)NCc1nc(N)n[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I15 compound treatment 0.038 0.026374 0.1375 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 -0.0587 -0.2692 3034693 ChemDiv3_011455 CCCNC(=O)Cn1cc2CCCCCc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I16 compound treatment -0.088 -0.099626 -0.5193 0.026 0.00573 0.0318 0.036 0.01362 0.077 -0.2369 -0.4505 3034694 ChemDiv3_011456 O=C(N1CCCC1)c2cc3CS(=O)(=O)c4ccccc4-c3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I17 compound treatment 0.007 -0.0046255 -0.0241 0.045 0.02473 0.1374 -0.166 -0.18838 -1.0653 -0.5496 -0.5116 3034695 ChemDiv3_011457 O=C(NCCc1ccccc1)c2cnn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I18 compound treatment -0.05 -0.061626 -0.3212 0.116 0.09573 0.532 -0.014 -0.03638 -0.2057 0.0029 0.0045 3034696 ChemDiv3_011458 COc1ccc(CCNC(=O)CSc2ncnc3n(Cc4ccccc4)nnc23)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I19 compound treatment -0.099 -0.11063 -0.5766 0.041 0.02073 0.1152 -0.065 -0.08738 -0.4941 -0.5517 -0.7183 3034697 ChemDiv3_011459 Cc1ccc(C)c(NC(=O)C2CCCN(C2)C(=O)c3cnn(c3n4cccc4)c5ccccc5)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I20 compound treatment -0.019 -0.030626 -0.1596 0.084 0.06373 0.3542 0.019 -0.0033798 -0.0191 0.1013 0.2604 3034698 ChemDiv3_011460 Cc1ccc(cc1)n2nnc3c(SCC(=O)NCc4ccccc4Cl)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I21 compound treatment 0.12 0.10837 0.5649 -0.065 -0.08527 -0.4739 0.22 0.19762 1.1176 0.6978 0.5212 3121623 ChemDiv3_011461 CC1CC(C)CN(CCCNC(=O)Cn2c3ccccc3c4cn[nH]c(=O)c24)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I22 compound treatment -0.006 -0.017626 -0.0919 0.012 -0.00827 -0.046 0.04 0.01762 0.0996 -0.022 -0.154 3121624 ChemDiv3_011462 Clc1ccccc1Cn2c(CCC(=O)N3CCN(CC3)c4ccccc4)nc5ncccc5c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I23 mock treatment -0.046 -0.057626 -0.3004 -0.085 -0.10527 -0.585 -0.055 -0.07738 -0.4376 -0.7638 -0.967 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 I24 mock treatment 0.007 -0.0046255 -0.0241 -0.007 -0.02727 -0.1515 -0.097 -0.11938 -0.6751 -0.4912 -0.7095 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J01 compound treatment -0.014 -0.025626 -0.1336 0.006 -0.01427 -0.0793 -0.351 -0.37338 -2.1115 -1.342 -0.6338 3034699 ChemDiv3_011463 CCc1ccc(NC(=O)CCn2cccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J02 compound treatment -0.007 -0.018626 -0.0971 -0.021 -0.04127 -0.2293 -0.02 -0.04238 -0.2397 -0.3268 -0.9456 3121625 ChemDiv3_011464 COc1ccc2[nH]c3c(=O)n(CCN4CCC(Cc5ccccc5)CC4)cnc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J03 compound treatment -0.137 -0.14863 -0.7747 0.363 0.34273 1.9046 0.306 0.28362 1.6039 1.5784 0.6053 3034700 ChemDiv3_011465 Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J04 compound treatment 0.068 0.056374 0.2938 0.171 0.15073 0.8376 0.006 -0.01638 -0.0926 0.5998 0.672 3121626 ChemDiv3_011466 CCOc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J05 compound treatment 0.352 0.34037 1.7741 0.065 0.04473 0.2486 0.071 0.04862 0.275 1.3265 0.7319 3034701 ChemDiv3_011467 O=S(=O)(NCc1csc(n1)c2cccnc2)c3ccc4CCCCc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J06 compound treatment 0.03 0.018374 0.0958 -0.031 -0.05127 -0.2849 0.283 0.26062 1.4739 0.7417 0.4931 3121800 ChemDiv3_011468 CCc1nc2ccccc2n1CCC(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J07 compound treatment 0.111 0.099374 0.518 -0.076 -0.09627 -0.535 0.261 0.23862 1.3494 0.7693 0.4991 3034702 ChemDiv3_011469 O=S(=O)(NCCc1csc(n1)c2cccnc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J08 compound treatment -0.136 -0.14763 -0.7695 0.05 0.02973 0.1652 0.02 -0.0023798 -0.0135 -0.3566 -0.4531 3121801 ChemDiv3_011470 CCCCn1c(CCCNC(=O)C(C)C)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J09 compound treatment 0.132 0.12037 0.6274 -0.171 -0.19127 -1.0629 0.132 0.10962 0.6199 0.1065 0.0771 3121802 ChemDiv3_011471 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)N4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J10 compound treatment 0.026 0.014374 0.0749 0.091 0.07073 0.3931 0.17 0.14762 0.8348 0.7522 0.8125 3034703 ChemDiv3_011472 Cc1cc2ncn(CCC3CCCCC3)c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J11 compound treatment 0.0 -0.011626 -0.0606 -0.043 -0.06327 -0.3516 -0.156 -0.17838 -1.0088 -0.8204 -0.7667 3121803 ChemDiv3_011473 FC(F)(F)c1ccccc1C(=O)NCc2cn3ccsc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J12 compound treatment -0.096 -0.10763 -0.561 0.185 0.16473 0.9154 -0.04 -0.06238 -0.3528 0.001 9.0E-4 1279671 ChemDiv3_011474 Cc1ccccc1Cn2c(Cc3ccccc3)nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J13 compound treatment -0.204 -0.21563 -1.1239 0.026 0.00573 0.0318 0.013 -0.0093798 -0.053 -0.6611 -0.5874 3121804 ChemDiv3_011475 CCCCN(C1=NC2CS(=O)(=O)CC2S1)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J14 compound treatment 0.29 0.27837 1.451 -0.014 -0.03427 -0.1904 0.144 0.12162 0.6878 1.1248 0.6957 3034704 ChemDiv3_011476 Cc1ccc(OCCn2c(CC(C)(C)C)nc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J15 compound treatment -0.2 -0.21163 -1.103 0.257 0.23673 1.3155 0.324 0.30162 1.7057 1.1075 0.4576 3121805 ChemDiv3_011477 Cc1nc2cc(nn2c(C)c1CC(=O)NCc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J16 compound treatment 0.076 0.064374 0.3355 0.025 0.00473 0.0263 -0.092 -0.11438 -0.6468 -0.1646 -0.2257 3034705 ChemDiv3_011478 CC(NC(=O)C)c1nc2ccccc2n1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J17 compound treatment 0.091 0.079374 0.4137 0.206 0.18573 1.0321 0.024 0.0016202 0.0092 0.8401 0.7554 3121806 ChemDiv3_011479 COc1ccccc1c2nn(CCC(=O)NCCc3ccc(Cl)cc3)c4nc(C)cc(C)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J18 compound treatment 0.091 0.079374 0.4137 0.057 0.03673 0.2041 0.136 0.11362 0.6425 0.7277 0.9199 1593064 ChemDiv3_011480 OC(c1nc2ccccc2n1Cc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J19 compound treatment -0.09 -0.10163 -0.5297 0.093 0.07273 0.4042 -0.083 -0.10538 -0.5959 -0.4165 -0.466 3034706 ChemDiv3_011481 CC(C)c1ccc(NC(=O)c2ccc3snnc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J20 compound treatment 0.471 0.45937 2.3944 0.166 0.14573 0.8098 -0.003 -0.02538 -0.1435 1.7671 0.698 3121807 ChemDiv3_011482 C(N1CCCCC1)c2ccc(cc2)c3nn[nH]n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J21 compound treatment 0.035 0.023374 0.1218 -0.192 -0.21227 -1.1796 0.033 0.01062 0.0601 -0.576 -0.4851 3034707 ChemDiv3_011483 COc1ccc(cc1)C2CCCN2C(=O)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J22 compound treatment 0.073 0.061374 0.3199 -0.019 -0.03927 -0.2182 0.061 0.03862 0.2184 0.1848 0.4157 3121808 ChemDiv3_011484 CC1CC(C)CN(C1)c2ccc3nc4ccc(C)cc4c(=O)n3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J23 mock treatment 0.024 0.012374 0.0645 0.012 -0.00827 -0.046 0.127 0.10462 0.5916 0.3523 0.5902 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 J24 mock treatment 0.006 -0.0056255 -0.0293 -0.057 -0.07727 -0.4294 -0.128 -0.15038 -0.8504 -0.7558 -0.793 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K01 compound treatment 0.179 0.16737 0.8724 -0.042 -0.06227 -0.346 -0.055 -0.07738 -0.4376 0.0512 0.0495 3034708 ChemDiv3_011485 CC1CC(=O)N(CC(=O)N)c2ccccc2S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K02 compound treatment 0.033 0.021374 0.1114 0.148 0.12773 0.7098 0.047 0.02462 0.1392 0.5545 0.7577 3121809 ChemDiv3_011486 O=C(CCCn1c2ccccc2c3cn[nH]c(=O)c13)NCCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K03 compound treatment -0.155 -0.16663 -0.8685 0.113 0.09273 0.5153 -0.245 -0.26738 -1.5121 -1.0769 -0.5923 3121810 ChemDiv3_011487 CC(C)Cn1c(=O)c2sccc2n3c(=S)sc(c4ccccc4)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K04 compound treatment 0.323 0.31137 1.623 0.045 0.02473 0.1374 0.35 0.32762 1.8528 2.086 0.8456 3034709 ChemDiv3_011488 CC(C(=O)NC1CCCCCC1)n2nc(C)n3c4ccoc4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K05 compound treatment 0.224 0.21237 1.1069 0.076 0.05573 0.3097 0.16 0.13762 0.7783 1.2672 0.9129 3121811 ChemDiv3_011489 Cc1oc(nc1Cn2c(SCc3cccc(Cl)c3)nc4ccncc24)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K06 compound treatment 0.103 0.091374 0.4763 0.217 0.19673 1.0933 0.199 0.17662 0.9988 1.4828 0.9533 3034710 ChemDiv3_011490 Cc1ccc2c(cc3c(=O)n(CC(=O)N4CCCC4)nc(C)n32)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K07 compound treatment 0.083 0.071374 0.372 -0.035 -0.05527 -0.3071 0.276 0.25362 1.4343 0.8655 0.572 3121812 ChemDiv3_011491 Cc1cccc(Cn2c(SCc3ccc(cc3)C(=O)NCCN4CCCC4)nc5ccncc25)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K08 compound treatment -0.257 -0.26863 -1.4001 0.178 0.15773 0.8765 -0.115 -0.13738 -0.7769 -0.7509 -0.4113 3121813 ChemDiv3_011492 CC(CNC(=O)c1cc2oc3ccccc3c2n1C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K09 compound treatment -0.082 -0.093626 -0.488 -0.164 -0.18427 -1.024 -0.162 -0.18438 -1.0427 -1.475 -0.9573 3034711 ChemDiv3_011493 CCCCN(C)C(=O)Cn1ncc2c3ccccc3n(C)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K10 compound treatment 0.097 0.085374 0.445 -0.059 -0.07927 -0.4405 0.143 0.12062 0.6821 0.3964 0.4281 3121814 ChemDiv3_011494 Cc1n(CCCC(=O)NCCc2ccccc2)c(C)c3c(=O)n(ncc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K11 compound treatment -0.074 -0.085626 -0.4463 -0.006 -0.02627 -0.146 0.107 0.08462 0.4785 -0.0657 -0.0979 3034712 ChemDiv3_011495 O=C(Cn1ncc2c3ccccc3n(Cc4ccccc4)c2c1=O)NC5CC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K12 compound treatment 0.201 0.18937 0.9871 0.157 0.13673 0.7598 0.051 0.02862 0.1619 1.102 0.8773 3121815 ChemDiv3_011496 CCCNC(=O)Cn1c(ccc1c2ccco2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K13 compound treatment 0.08 0.068374 0.3564 0.035 0.01473 0.0819 -0.021 -0.04338 -0.2453 0.1114 0.253 3034713 ChemDiv3_011497 CCc1ccc(NC(=O)Cn2cc3CCCCc3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K14 compound treatment -0.012 -0.023626 -0.1231 -0.034 -0.05427 -0.3016 -0.033 -0.05538 -0.3132 -0.426 -0.9428 3121816 ChemDiv3_011498 Cc1cc(C)n2nc(CNS(=O)(=O)c3cccc4nsnc34)nc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K15 compound treatment 0.0 -0.011626 -0.0606 -0.247 -0.26727 -1.4853 -0.068 -0.09038 -0.5111 -1.1876 -0.7555 3121817 ChemDiv3_011499 CN(Cc1ccccc1)C(=O)c2cnn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K16 compound treatment 0.13 0.11837 0.617 0.191 0.17073 0.9488 0.033 0.01062 0.0601 0.9387 0.8282 3034714 ChemDiv3_011500 CN(C)CCNC(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K17 compound treatment 0.0 -0.011626 -0.0606 -0.031 -0.05127 -0.2849 0.013 -0.0093798 -0.053 -0.2301 -0.7772 3121818 ChemDiv3_011501 O=C(NC1CCCc2ccccc12)c3cnn(c3n4cccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K18 compound treatment -0.165 -0.17663 -0.9206 0.157 0.13673 0.7598 -0.083 -0.10538 -0.5959 -0.4369 -0.3275 3034715 ChemDiv3_011502 C(Sc1ncnc2n(Cc3ccccc3)nnc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K19 compound treatment 0.164 0.15237 0.7942 -0.069 -0.08927 -0.4961 0.133 0.11062 0.6256 0.5333 0.4736 3121819 ChemDiv3_011503 O=C(Nc1nccs1)C2CCCN(C2)C(=O)c3cnn(c3n4cccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K20 compound treatment 0.12 0.10837 0.5649 -0.006 -0.02627 -0.146 -0.038 -0.06038 -0.3415 0.0447 0.0661 3121820 ChemDiv3_011504 Fc1ccc(cc1)n2nnc3c(SCC(=O)N4CCCc5ccccc45)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K21 compound treatment 0.016 0.0043745 0.0228 -0.111 -0.13127 -0.7295 0.013 -0.0093798 -0.053 -0.4386 -0.5994 3034716 ChemDiv3_011505 CC(C(=O)N1CCCCC1)n2c3ccccc3c4cnn(C)c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K22 compound treatment 0.057 0.045374 0.2365 0.038 0.01773 0.0985 -0.077 -0.09938 -0.562 -0.131 -0.2122 3121821 ChemDiv3_011506 CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K23 mock treatment 0.017 0.0053745 0.028 0.037 0.01673 0.093 -0.102 -0.12438 -0.7034 -0.3363 -0.4736 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 K24 mock treatment 0.094 0.082374 0.4294 -0.024 -0.04427 -0.246 0.123 0.10062 0.569 0.4344 0.576 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L01 compound treatment 0.063 0.051374 0.2678 -0.012 -0.03227 -0.1793 0.074 0.05162 0.2919 0.2196 0.505 3034717 ChemDiv3_011507 O=C(CCn1cccc1)N2CCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L02 compound treatment 0.185 0.17337 0.9037 0.135 0.11473 0.6376 0.006 -0.01638 -0.0926 0.8364 0.7536 3121822 ChemDiv3_011508 CCCN(CCC)CCCn1cnc2c3cc(F)ccc3[nH]c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L03 compound treatment 0.047 0.035374 0.1844 0.15 0.12973 0.7209 -0.013 -0.03538 -0.2001 0.4072 0.5284 3034718 ChemDiv3_011509 CC1(C)N=C(C(=O)N1CC(=O)Nc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L04 compound treatment 0.106 0.094374 0.4919 0.122 0.10173 0.5653 0.098 0.07562 0.4276 0.8573 0.9936 3121823 ChemDiv3_011510 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2nc3cc(C)ccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L05 compound treatment 0.069 0.057374 0.299 -0.141 -0.16127 -0.8962 -0.041 -0.06338 -0.3584 -0.5517 -0.546 3034719 ChemDiv3_011511 COc1ccc(cc1)c2nc(CNS(=O)(=O)c3ccc(NC(=O)C)cc3)cs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L06 compound treatment 0.057 0.045374 0.2365 0.013 -0.00727 -0.0404 -0.189 -0.21138 -1.1954 -0.5769 -0.4732 3121824 ChemDiv3_011512 Cc1ccc2[nH]c(SCc3c(C)c(C)cc(C)c3C)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L07 compound treatment 0.051 0.039374 0.2052 0.037 0.01673 0.093 0.057 0.03462 0.1958 0.2852 0.9555 3121825 ChemDiv3_011513 Cc1nc(CCNC(=O)c2ccccc2)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L08 compound treatment -0.113 -0.12463 -0.6496 0.138 0.11773 0.6542 -0.027 -0.04938 -0.2793 -0.1585 -0.1646 1512226 ChemDiv3_011514 Clc1ccc(CSCc2nc3ccccc3[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L09 compound treatment 0.0 -0.011626 -0.0606 -0.012 -0.03227 -0.1793 0.019 -0.0033798 -0.0191 -0.1496 -0.7861 3121826 ChemDiv3_011515 CCCNC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L10 compound treatment 0.173 0.16137 0.8411 0.031 0.01073 0.0596 0.152 0.12962 0.733 0.9433 0.8442 3034720 ChemDiv3_011516 Cc1ccccc1Cn2cnc3cc(C)c(C)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L11 compound treatment 0.129 0.11737 0.6118 0.244 0.22373 1.2433 0.031 0.0086202 0.0487 1.0992 0.7928 3121827 ChemDiv3_011517 CC(C)(C)C(=O)NCc1cn2ccsc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L12 compound treatment -0.181 -0.19263 -1.004 -0.167 -0.18727 -1.0407 -0.214 -0.23638 -1.3368 -1.9523 -0.9914 1125474 ChemDiv3_011518 OCc1nc2ccccc2n1Cc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L13 compound treatment 0.047 0.035374 0.1844 0.138 0.11773 0.6542 0.127 0.10462 0.5916 0.8258 0.9163 3122011 ChemDiv3_011519 Fc1ccc(cc1)N(CC(=O)Nc2ccccc2C(F)(F)F)C3=NC4CS(=O)(=O)CC4S3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L14 compound treatment 0.021 0.0093745 0.0489 -0.132 -0.15227 -0.8462 0.122 0.09962 0.5634 -0.1351 -0.1327 3034721 ChemDiv3_011520 Clc1ccccc1c2nc3ccccc3n2CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L15 compound treatment -0.14 -0.15163 -0.7903 0.042 0.02173 0.1208 -0.007 -0.02938 -0.1661 -0.4825 -0.5909 3122012 ChemDiv3_011521 Cc1nc2cc(nn2c(C)c1CC(=O)NC3CCCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L16 compound treatment 0.12 0.10837 0.5649 -0.006 -0.02627 -0.146 0.087 0.06462 0.3654 0.4528 0.6578 3034722 ChemDiv3_011522 O=C(COc1ccccc1)NCCc2nc3ccccc3n2Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L17 compound treatment 0.23 0.21837 1.1382 0.101 0.08073 0.4486 0.09 0.06762 0.3824 1.1369 0.887 3122013 ChemDiv3_011523 COc1ccccc1c2nn(CCC(=O)NC3CCCC3)c4nc(C)cc(C)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L18 compound treatment 0.012 3.7448E-4 0.002 -0.038 -0.05827 -0.3238 0.047 0.02462 0.1392 -0.1054 -0.2991 3122014 ChemDiv3_011524 Cc1ccc(OCCn2c(nc3ccccc23)C(O)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L19 compound treatment -0.03 -0.041626 -0.217 0.068 0.04773 0.2652 0.0 -0.02238 -0.1266 -0.0452 -0.1237 3034723 ChemDiv3_011525 CC1CCC(CC1)NC(=O)c2ccc3snnc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L20 compound treatment 0.154 0.14237 0.7421 -0.132 -0.15227 -0.8462 0.201 0.17862 1.0101 0.5231 0.3459 1066698 ChemDiv3_011526 OC(=O)CC1NC(=O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L21 compound treatment 0.038 0.026374 0.1375 -0.08 -0.10027 -0.5572 -0.006 -0.02838 -0.1605 -0.335 -0.5621 3122015 ChemDiv3_011527 COc1ccc(cc1OC)C2CC(=O)N3CN(CCC(C)C)CSC3=C2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L22 compound treatment 0.026 0.014374 0.0749 0.0 -0.02027 -0.1126 -0.113 -0.13538 -0.7656 -0.4638 -0.5966 3034724 ChemDiv3_011528 Clc1ccc(nn1)N2CCCCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L23 mock treatment -0.022 -0.033626 -0.1753 0.013 -0.00727 -0.0404 -0.025 -0.04738 -0.2679 -0.2792 -0.8652 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 L24 mock treatment 0.08 0.068374 0.3564 0.06 0.03973 0.2208 -0.059 -0.08138 -0.4602 0.0675 0.1085 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M01 compound treatment -0.07 -0.081626 -0.4255 0.217 0.19673 1.0933 0.082 0.05962 0.3372 0.5802 0.4754 3034725 ChemDiv3_011529 CC1CC(=O)N(CC(=O)Nc2cccc(C)c2)c3ccccc3S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M02 compound treatment 0.014 0.0023745 0.0124 -0.033 -0.05327 -0.296 0.102 0.07962 0.4503 0.0962 0.1785 3122016 ChemDiv3_011530 CC1CCCC(NC(=O)CCCn2c3ccccc3c4cn[nH]c(=O)c24)C1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M03 compound treatment -0.007 -0.018626 -0.0971 -0.113 -0.13327 -0.7406 -0.031 -0.05338 -0.3019 -0.6579 -0.8167 3122017 ChemDiv3_011531 CC(C)n1c(=O)c2sccc2n3c(=S)sc(c4ccccc4)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M04 compound treatment -0.013 -0.024626 -0.1284 -0.064 -0.08427 -0.4683 0.119 0.09662 0.5464 -0.029 -0.0397 3034886 ChemDiv3_011532 CCc1nn(C(C)C(=O)N(C)Cc2ccccc2)c(=O)c3cc4occc4n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M05 compound treatment -0.095 -0.10663 -0.5558 -0.056 -0.07627 -0.4238 0.006 -0.01638 -0.0926 -0.6191 -0.878 3034888 ChemDiv3_011533 CCCN(CCC)C(=O)Cn1c(SCc2cccc(Cl)c2)nc3ccncc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M06 compound treatment 0.098 0.086374 0.4502 0.108 0.08773 0.4875 0.112 0.08962 0.5068 0.834 0.9988 3034889 ChemDiv3_011534 CCN(C(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M07 compound treatment -0.079 -0.090626 -0.4724 0.0 -0.02027 -0.1126 0.071 0.04862 0.275 -0.179 -0.3208 3034890 ChemDiv3_011535 CC1CC(C)CN(C1)C(=O)c2ccc(CSc3nc4ccncc4n3Cc5ccc(F)cc5)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M08 compound treatment 0.039 0.027374 0.1427 0.03 0.00973 0.0541 0.0 -0.02238 -0.1266 0.0405 0.2044 3034892 ChemDiv3_011536 CCn1c(cc2oc3ccccc3c12)C(=O)NCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M09 compound treatment 0.101 0.089374 0.4658 -0.229 -0.24927 -1.3852 0.14 0.11762 0.6652 -0.1468 -0.0914 3122018 ChemDiv3_011537 CCOC(=O)N1CCC(CC1)NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M10 compound treatment 0.006 -0.0056255 -0.0293 0.089 0.06873 0.3819 0.019 -0.0033798 -0.0191 0.1926 0.502 3034894 ChemDiv3_011538 CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M11 compound treatment -0.11 -0.12163 -0.6339 -0.071 -0.09127 -0.5072 -0.086 -0.10838 -0.6129 -1.0127 -0.9955 3122019 ChemDiv3_011539 CC1CCC(CC1)NC(=O)Cn2ncc3c4ccccc4n(Cc5ccccc5)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M12 compound treatment 0.051 0.039374 0.2052 -0.007 -0.02727 -0.1515 -0.034 -0.05638 -0.3188 -0.1531 -0.3749 3034896 ChemDiv3_011540 Cc1c(oc2ccc3OC(C)(CC(=O)c3c12)c4ccc(Cl)cc4)C(=O)NCCCN5CCOCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M13 compound treatment 0.008 -0.0036255 -0.0189 0.082 0.06173 0.343 0.021 -0.0013798 -0.0078 0.1826 0.5315 3122020 ChemDiv3_011541 CC(C)NC(=O)Cn1cc2CCCCc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M14 compound treatment -0.02 -0.031626 -0.1648 0.065 0.04473 0.2486 0.072 0.04962 0.2806 0.2104 0.5137 3122021 ChemDiv3_011542 COc1ccccc1NC(=O)NCc2nc(N)n(n2)C(=O)Nc3ccccc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M15 compound treatment 0.114 0.10237 0.5336 0.008 -0.01227 -0.0682 0.039 0.01662 0.094 0.323 0.5914 3034897 ChemDiv3_011543 O=C(N1CCc2ccccc12)c3cnn(c3n4cccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M16 compound treatment 0.204 0.19237 1.0027 0.084 0.06373 0.3542 0.144 0.12162 0.6878 1.1805 0.9321 3122022 ChemDiv3_011544 CCc1ccc(NC(=O)c2cc3CS(=O)(=O)c4ccccc4-c3s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M17 compound treatment 0.006 -0.0056255 -0.0293 -0.043 -0.06327 -0.3516 0.155 0.13262 0.75 0.2131 0.2571 3034958 ChemDiv3_011545 O=C(NCCCN1CCCC1)c2cnn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M18 compound treatment 0.333 0.32137 1.6751 0.144 0.12373 0.6876 -0.118 -0.14038 -0.7939 0.9057 0.4581 3034960 ChemDiv3_011546 CCOC(=O)N1CCN(CC1)C(=O)CSc2ncnc3n(Cc4ccc(F)cc4)nnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M19 compound treatment -0.014 -0.025626 -0.1336 0.013 -0.00727 -0.0404 0.225 0.20262 1.1459 0.5611 0.4861 3034961 ChemDiv3_011547 O=C(Cn1c2ccccc2c3cn[nH]c(=O)c13)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M20 compound treatment 0.04 0.028374 0.1479 0.02 -2.7002E-4 -0.0015 1.526 1.5036 6.8015 4.0113 0.5896 3034963 ChemDiv3_011548 Fc1ccc(cc1)n2nnc3c(SCc4ccc(cc4)C(F)(F)F)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M21 compound treatment 0.129 0.11737 0.6118 -0.085 -0.10527 -0.585 0.078 0.05562 0.3145 0.1971 0.2182 3034964 ChemDiv3_011549 CC(C(=O)NC1CCCC1)n2c3ccccc3c4cnn(C)c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M22 compound treatment -0.068 -0.079626 -0.415 -0.078 -0.09827 -0.5461 -0.019 -0.04138 -0.234 -0.69 -0.9521 3034966 ChemDiv3_011550 CN(C(=O)c1cc2CSc3cc(Cl)ccc3-c2s1)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M23 mock treatment 0.062 0.050374 0.2626 -0.111 -0.13127 -0.7295 0.019 -0.0033798 -0.0191 -0.2806 -0.3618 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 M24 mock treatment -0.053 -0.064626 -0.3368 0.028 0.00773 0.043 -0.085 -0.10738 -0.6073 -0.5203 -0.7478 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N01 compound treatment 0.042 0.030374 0.1583 0.068 0.04773 0.2652 -0.02 -0.04238 -0.2397 0.1062 0.2716 3122023 ChemDiv3_011551 COC(=O)c1ccccc1NC(=O)CCn2cccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N02 compound treatment 0.128 0.11637 0.6066 0.063 0.04273 0.2375 0.098 0.07562 0.4276 0.7342 0.9422 3034968 ChemDiv3_011552 COc1ccc2n(C)c3c(=O)n(CCc4ccc(Cl)cc4)cnc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N03 compound treatment -0.151 -0.16263 -0.8476 0.25 0.22973 1.2766 0.151 0.12862 0.7274 0.6676 0.3936 3122024 ChemDiv3_011553 O=C(CN1C(=O)C(=NC21CCCC2)c3ccccc3)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N04 compound treatment -0.061 -0.072626 -0.3785 0.098 0.07773 0.432 -0.031 -0.05338 -0.3019 -0.1434 -0.2211 3122025 ChemDiv3_011554 CCc1cccc(O[C@@H]2O[C@@H]3COC(O[C@H]3[C@H](O)[C@H]2NC(=O)C)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N05 compound treatment -0.006 -0.017626 -0.0919 -0.043 -0.06327 -0.3516 -0.05 -0.07238 -0.4093 -0.4924 -0.8995 3034970 ChemDiv3_011555 COc1ccc(cc1)c2nc(CNS(=O)(=O)c3ccccc3F)cs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N06 compound treatment -0.012 -0.023626 -0.1231 0.133 0.11273 0.6265 0.053 0.03062 0.1732 0.3906 0.5904 3034972 ChemDiv3_011556 Cc1cc(C)c(C)c(Cn2cnc3ccccc23)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N07 compound treatment 0.07 0.058374 0.3043 -0.047 -0.06727 -0.3738 0.025 0.0026202 0.0148 -0.0316 -0.0656 3122026 ChemDiv3_011557 Cc1nc(CCNC(=O)Cc2ccccc2)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N08 compound treatment 0.112 0.10037 0.5232 0.029 0.00873 0.0485 0.018 -0.0043798 -0.0248 0.3158 0.6003 3122027 ChemDiv3_011558 COc1ccc2cc(ccc2c1)C(C)c3nc4ccccc4[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N09 compound treatment 0.168 0.15637 0.8151 -0.222 -0.24227 -1.3463 0.026 0.0036202 0.0205 -0.2949 -0.1874 3034973 ChemDiv3_011559 CC(C)CN(CC(C)C)C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N10 compound treatment 0.02 0.0083745 0.0436 -0.109 -0.12927 -0.7184 -0.064 -0.08638 -0.4885 -0.6716 -0.7721 3122028 ChemDiv3_011560 CC(c1ccccc1)n2cnc3cc(C)c(C)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N11 compound treatment 0.063 0.051374 0.2678 -0.068 -0.08827 -0.4905 -0.058 -0.08038 -0.4546 -0.391 -0.5428 3122029 ChemDiv3_011561 COc1ccc(cc1OC)C(=O)NCc2cn3ccsc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N12 compound treatment -0.072 -0.083626 -0.4359 0.054 0.03373 0.1874 0.053 0.03062 0.1732 -0.0435 -0.086 3034975 ChemDiv3_011562 CC(C)Cc1nc2ccccc2n1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N13 compound treatment 0.007 -0.0046255 -0.0241 -0.013 -0.03327 -0.1849 -0.033 -0.05538 -0.3132 -0.3015 -0.8271 3122030 ChemDiv3_011563 Cc1cccc(c1)N(Cc2cc(=O)n3ccccc3n2)C4=NC5CS(=O)(=O)CC5S4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N14 compound treatment -0.088 -0.099626 -0.5193 0.064 0.04373 0.243 -0.021 -0.04338 -0.2453 -0.3011 -0.4829 3034977 ChemDiv3_011564 CCCCn1c(nc2ccccc12)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N15 compound treatment -0.066 -0.077626 -0.4046 0.284 0.26373 1.4656 0.273 0.25062 1.4173 1.4308 0.6884 3122031 ChemDiv3_011565 CCCNC(=O)Cc1c(C)nc2cc(nn2c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N16 compound treatment 0.054 0.042374 0.2209 0.035 0.01473 0.0819 0.117 0.09462 0.5351 0.4837 0.8274 3034979 ChemDiv3_011566 Cc1nc2ccccc2n1Cc3cccc(Cl)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N17 compound treatment -0.102 -0.11363 -0.5922 0.151 0.13073 0.7265 -0.084 -0.10638 -0.6016 -0.2698 -0.2423 3122032 ChemDiv3_011567 CC1(Cc2ccccc2C(=O)O1)C(=O)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N18 compound treatment 0.012 3.7448E-4 0.002 0.1 0.07973 0.4431 0.105 0.08262 0.4672 0.5267 0.818 1773751 ChemDiv3_011568 OC(=O)C1CCN(CC1)C(=O)NC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N19 compound treatment 0.065 0.053374 0.2782 0.093 0.07273 0.4042 0.129 0.10662 0.603 0.7421 0.9546 3122033 ChemDiv3_011569 O=C(NC1CCCC1)Nc2ccc3snnc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N20 compound treatment 0.266 0.25437 1.3259 -0.054 -0.07427 -0.4127 -0.068 -0.09038 -0.5111 0.2321 0.1569 3034982 ChemDiv3_011570 OC(=O)c1ccc(cc1)S(=O)(=O)N2CCCC3CCCCC32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N21 compound treatment 0.099 0.087374 0.4554 -0.106 -0.12627 -0.7017 0.128 0.10562 0.5973 0.2027 0.1972 3122034 ChemDiv3_011571 CCOC(=O)CN1CSC2=C(C#N)C(CC(=O)N2C1)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N22 compound treatment -0.1 -0.11163 -0.5818 -0.11 -0.13027 -0.7239 0.039 0.01662 0.094 -0.6996 -0.7494 3122035 ChemDiv3_011572 Cc1ccc2nc3ccc(nn3c(=O)c2c1)N4CCC(Cc5ccccc5)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N23 mock treatment -0.091 -0.10263 -0.5349 0.03 0.00973 0.0541 0.047 0.02462 0.1392 -0.1972 -0.3551 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 N24 mock treatment -0.09 -0.10163 -0.5297 -0.029 -0.04927 -0.2738 0.105 0.08262 0.4672 -0.1941 -0.2563 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O01 compound treatment -0.106 -0.11763 -0.6131 -0.077 -0.09727 -0.5405 0.055 0.03262 0.1845 -0.5595 -0.6678 3034983 ChemDiv3_011573 CC1CC(=O)N(Cc2ccc(F)cc2)c3ccccc3S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O02 compound treatment -0.013 -0.024626 -0.1284 -0.095 -0.11527 -0.6406 -0.053 -0.07538 -0.4263 -0.6901 -0.8846 3122036 ChemDiv3_011574 CCCNC(=O)C1CCN(CC1)c2nn3c(=O)cc(C)nc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O03 compound treatment -0.03 -0.041626 -0.217 0.049 0.02873 0.1597 0.041 0.01862 0.1053 0.0277 0.0958 3034985 ChemDiv3_011575 CCC(Sc1nc2ccncc2[nH]1)C(=O)N(CC)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O04 compound treatment -0.012 -0.023626 -0.1231 -0.098 -0.11827 -0.6572 0.299 0.27662 1.5643 0.4526 0.266 3035023 ChemDiv3_011576 CCc1nn(C(C)C(=O)NC)c(=O)c2cc3occc3n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O05 compound treatment 0.035 0.023374 0.1218 -0.119 -0.13927 -0.7739 0.115 0.09262 0.5238 -0.0741 -0.0786 3035025 ChemDiv3_011577 Clc1cccc(CSc2nc3ccncc3n2CC(=O)NCC4CCCO4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O06 compound treatment 0.019 0.0073745 0.0384 -0.059 -0.07927 -0.4405 0.124 0.10162 0.5747 0.0997 0.1374 3035026 ChemDiv3_011578 CCC(C(=O)Nc1ccccc1CC)n2nc(C)n3c(cc4cc(C)ccc43)c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O07 compound treatment 0.083 0.071374 0.372 -0.011 -0.03127 -0.1738 0.288 0.26562 1.5021 0.9817 0.6304 3035028 ChemDiv3_011579 Fc1ccc(Cn2c(SCc3ccc(cc3)C(=O)N4CCCCC4)nc5ccncc25)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O08 compound treatment 0.13 0.11837 0.617 0.0 -0.02027 -0.1126 -0.006 -0.02838 -0.1605 0.1985 0.3067 3035029 ChemDiv3_011580 CCn1c(cc2oc3ccccc3c12)C(=O)NC4CCCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O09 compound treatment 0.033 0.021374 0.1114 0.123 0.10273 0.5709 0.182 0.15962 0.9027 0.9151 0.8522 3035031 ChemDiv3_011581 COc1cccc(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O10 compound treatment 0.061 0.049374 0.2574 -0.064 -0.08427 -0.4683 -0.105 -0.12738 -0.7204 -0.5377 -0.5995 3122037 ChemDiv3_011582 CCOC(=O)c1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O11 compound treatment -0.141 -0.15263 -0.7955 0.019 -0.00127 -0.0071 -0.046 -0.06838 -0.3867 -0.6866 -0.7762 3122217 ChemDiv3_011583 Cc1ccccc1Cn2c3ccccc3c4cnn(CC(=O)N5CCCC5)c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O12 compound treatment -0.006 -0.017626 -0.0919 -0.161 -0.18127 -1.0073 -0.118 -0.14038 -0.7939 -1.093 -0.85 3035034 ChemDiv3_011584 Fc1ccc(cc1)c2nc(CC(=O)Nc3ccccc3)co2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O13 compound treatment 0.114 0.10237 0.5336 0.1 0.07973 0.4431 0.442 0.41962 2.373 1.934 0.7822 3122218 ChemDiv3_011585 O=C(Cn1cc2CCCCc2n1)NCCCN3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O14 compound treatment -0.013 -0.024626 -0.1284 -0.007 -0.02727 -0.1515 -0.058 -0.08038 -0.4546 -0.424 -0.8548 3035036 ChemDiv3_011586 Nc1nc(CNS(=O)(=O)c2ccccc2)nn1S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O15 compound treatment 0.006 -0.0056255 -0.0293 0.245 0.22473 1.2489 0.139 0.11662 0.6595 1.0849 0.768 3122219 ChemDiv3_011587 NC(=O)C1CCN(CC1)C(=O)c2cnn(c2n3cccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O16 compound treatment 0.284 0.27237 1.4197 0.182 0.16173 0.8988 0.123 0.10062 0.569 1.6671 0.9397 3035038 ChemDiv3_011588 CN(C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O17 compound treatment -0.043 -0.054626 -0.2847 -0.017 -0.03727 -0.2071 0.151 0.12862 0.7274 0.136 0.1683 3122220 ChemDiv3_011589 CN1CCN(CCNC(=O)c2cnn(c2n3cccc3)c4ccccc4)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O18 compound treatment 0.043 0.031374 0.1635 0.211 0.19073 1.0599 0.217 0.19462 1.1006 1.3418 0.8732 3122221 ChemDiv3_011590 NC(=O)CSc1ncnc2n(Cc3ccc(F)cc3)nnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O19 compound treatment 0.065 0.053374 0.2782 0.119 0.09873 0.5487 0.188 0.16562 0.9366 1.0181 0.9086 3035040 ChemDiv3_011591 O=C(Cn1c2ccccc2c3cn[nH]c(=O)c13)NCc4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O20 compound treatment -0.019 -0.030626 -0.1596 0.0 -0.02027 -0.1126 0.076 0.05362 0.3032 0.0179 0.0496 3122222 ChemDiv3_011592 COc1ccc(cc1)n2nnc3c(SCC(=O)N4CCc5ccccc45)ncnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O21 compound treatment 0.172 0.16037 0.8359 -0.024 -0.04427 -0.246 0.217 0.19462 1.1006 0.976 0.6953 3122223 ChemDiv3_011593 CC(C(=O)NCc1ccco1)n2c3ccccc3c4cnn(C)c(=O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O22 compound treatment 0.083 0.071374 0.372 0.057 0.03673 0.2041 0.199 0.17662 0.9988 0.9093 0.8379 3035044 ChemDiv3_011594 COCCn1c(CCC(=O)NCc2ccc(OC)cc2)nc3cccnc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O23 mock treatment 0.105 0.093374 0.4867 -0.04 -0.06027 -0.3349 0.0 -0.02238 -0.1266 0.0145 0.0241 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 O24 mock treatment 0.031 0.019374 0.101 -0.03 -0.05027 -0.2794 0.038 0.01562 0.0883 -0.052 -0.1677 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P01 compound treatment 0.059 0.047374 0.2469 -0.051 -0.07127 -0.3961 -0.133 -0.15538 -0.8787 -0.5934 -0.5964 3122224 ChemDiv3_011595 O=C(CCn1cccc1)NCC2COc3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P02 compound treatment -0.007 -0.018626 -0.0971 -0.006 -0.02627 -0.146 0.006 -0.01638 -0.0926 -0.1938 -0.9775 3122225 ChemDiv3_011596 CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)/C(=O)NCc3ccco3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P03 compound treatment -0.073 -0.084626 -0.4411 0.145 0.12473 0.6931 -0.282 -0.30438 -1.7213 -0.8483 -0.4447 3035046 ChemDiv3_011597 COc1ccc(cc1)C2=NC(NC(C2)c3cc(Cl)ccc3O)c4sccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P04 compound treatment 0.063 0.051374 0.2678 0.0 -0.02027 -0.1126 0.145 0.12262 0.6934 0.4899 0.6516 3035047 ChemDiv3_011598 CC(C)OC(=O)Cn1c2ccccc2c3nc4ccccc4nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P05 compound treatment -0.04 -0.051626 -0.2691 0.053 0.03273 0.1819 -0.064 -0.08638 -0.4885 -0.3324 -0.5666 3122226 ChemDiv3_011599 COc1ccc(cc1)c2nc(CNS(=O)(=O)N(C)C)cs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P06 compound treatment -0.006 -0.017626 -0.0919 -0.042 -0.06227 -0.346 -0.136 -0.15838 -0.8957 -0.7699 -0.7982 1557138 ChemDiv3_011600 CC(C)(C)c1ccc(CSCc2nc3ccccc3[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P07 compound treatment 0.006 -0.0056255 -0.0293 -0.006 -0.02627 -0.146 0.155 0.13262 0.75 0.3318 0.4339 3035050 ChemDiv3_011601 CC(=O)NCCc1csc(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P08 compound treatment 0.083 0.071374 0.372 0.124 0.10373 0.5764 0.185 0.16262 0.9196 1.0786 0.94 3122227 ChemDiv3_011602 COc1ccc2cc(ccc2c1)C(C)c3nc4ccccc4n3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P09 compound treatment -0.201 -0.21263 -1.1083 0.018 -0.00227 -0.0126 0.144 0.12162 0.6878 -0.25 -0.1917 3035080 ChemDiv3_011603 CN(C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P10 compound treatment 0.02 0.0083745 0.0436 0.032 0.01173 0.0652 0.188 0.16562 0.9366 0.6036 0.6422 3035081 ChemDiv3_011604 CCn1c(nc2ccccc12)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P11 compound treatment 0.044 0.032374 0.1687 0.038 0.01773 0.0985 0.108 0.08562 0.4842 0.4339 0.8309 3035082 ChemDiv3_011605 Cc1csc2nc(CNC(=O)C3CCCCC3)cn12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P12 compound treatment 0.077 0.065374 0.3407 0.122 0.10173 0.5653 0.077 0.05462 0.3089 0.7015 0.9625 3035083 ChemDiv3_011606 CC(C)c1nc2ccccc2n1Cc3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P13 compound treatment 0.061 0.049374 0.2574 0.013 -0.00727 -0.0404 -0.032 -0.05438 -0.3075 -0.0523 -0.1298 3035085 ChemDiv3_011607 CCN(C1=NC2CS(=O)(=O)CC2S1)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P14 compound treatment 0.041 0.029374 0.1531 -0.019 -0.03927 -0.2182 0.0 -0.02238 -0.1266 -0.1107 -0.375 3035086 ChemDiv3_011608 CC(C)CCn1c(nc2ccccc12)c3cccc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P15 compound treatment 0.067 0.055374 0.2886 -0.315 -0.33527 -1.8632 0.147 0.12462 0.7048 -0.5022 -0.2495 3035088 ChemDiv3_011609 Cc1nn(c2nc(C)c(CCC(=O)NCCCc3ccccc3)c(C)c12)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P16 compound treatment 0.076 0.064374 0.3355 0.043 0.02273 0.1263 0.247 0.22462 1.2703 1.0 0.7577 3122228 ChemDiv3_011610 Cc1cccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P17 compound treatment -0.041 -0.052626 -0.2743 -0.113 -0.13327 -0.7406 0.041 0.01862 0.1053 -0.5252 -0.6591 3035090 ChemDiv3_011611 CSc1cccc(NC(=O)c2ccc3snnc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P18 compound treatment -0.142 -0.15363 -0.8007 -0.234 -0.25427 -1.413 0.345 0.32262 1.8245 -0.2247 -0.092 1296436 ChemDiv3_011612 Cc1[nH]c2ccc(cc2c1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P19 compound treatment 0.083 0.071374 0.372 0.211 0.19073 1.0599 0.128 0.10562 0.5973 1.1716 0.9209 3122229 ChemDiv3_011613 CCOc1ccc(CCNC(=O)Nc2ccc3snnc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P20 compound treatment -0.095 -0.10663 -0.5558 0.147 0.12673 0.7043 -0.056 -0.07838 -0.4433 -0.1702 -0.1701 1243733 ChemDiv3_011614 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P21 compound treatment 0.006 -0.0056255 -0.0293 -0.107 -0.12727 -0.7073 -0.04 -0.06238 -0.3528 -0.6289 -0.7952 3122230 ChemDiv3_011615 Cc1ccsc1CCN2CSC3=C(C#N)C(CC(=O)N3C2)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P22 compound treatment 0.026 0.014374 0.0749 0.052 0.03173 0.1763 0.053 0.03062 0.1732 0.245 0.9488 3035093 ChemDiv3_011616 CC(C)c1ccc(NCCNC2CCCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P23 mock treatment -0.151 -0.16263 -0.8476 -0.045 -0.06527 -0.3627 -0.014 -0.03638 -0.2057 -0.8176 -0.8655 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2033 P24 mock treatment 0.007 -0.0046255 -0.0241 0.039 0.01873 0.1041 0.031 0.0086202 0.0487 0.0743 0.6328 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A01 compound treatment -0.043 -0.054626 -0.2847 0.181 0.16073 0.8932 -0.164 -0.18638 -1.054 -0.2572 -0.1824 3178236 Maybridge4_002113 CCOC(=O)c1c(C)n[nH]c1/N=C/c2ccc(OC)c(OC)c2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A02 compound treatment 0.069 0.057374 0.299 -0.007 -0.02727 -0.1515 -0.05 -0.07238 -0.4093 -0.1512 -0.2857 3178237 Maybridge4_002114 CS/C(=C(/C#N)\S(=O)(=O)c1ccc(Cl)cc1)/NC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A03 compound treatment 0.038 0.026374 0.1375 0.044 0.02373 0.1319 -0.024 -0.04638 -0.2623 0.0041 0.0126 1739670 Maybridge4_002115 O=C(C(C(=O)N1CCCCC1)C2(CC3CC4CC(C3)C2)C4)N5CCCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A04 compound treatment 0.117 0.10537 0.5492 0.02 -2.7002E-4 -0.0015 0.106 0.08362 0.4729 0.5893 0.813 3178238 Maybridge4_002116 CSc1c(C#N)c(nn1C)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A05 compound treatment 0.299 0.28737 1.4979 0.44 0.41973 2.3325 -0.012 -0.03438 -0.1944 2.0992 0.7554 3063681 Maybridge4_002117 CN(C)c1nc(O)nc(n1)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A06 compound treatment -0.093 -0.10463 -0.5453 -0.013 -0.03327 -0.1849 0.289 0.26662 1.5078 0.4489 0.2781 3178239 Maybridge4_002118 CN1c2ccccc2C(=O)/C(=C\Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)/S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A07 compound treatment 0.022 0.010374 0.0541 0.146 0.12573 0.6987 0.068 0.04562 0.258 0.5836 0.7815 1532269 Maybridge4_002119 COc1cc2CCN=C(c3ccccc3NC(=O)c4cccc(Cl)c4)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A08 compound treatment -0.131 -0.14263 -0.7434 0.177 0.15673 0.871 0.097 0.07462 0.422 0.3173 0.26 1424615 Maybridge4_002120 CCCS(=O)(=O)C1=C(N)OC(=C(C#N)C1c2ccc(Cl)cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A09 compound treatment 0.119 0.10737 0.5597 0.09 0.06973 0.3875 -0.05 -0.07238 -0.4093 0.3105 0.3909 1227957 Maybridge4_002121 Cc1cc(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)n(C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A10 compound treatment -0.019 -0.030626 -0.1596 -0.173 -0.19327 -1.074 -0.039 -0.06138 -0.3471 -0.9127 -0.8006 3063685 Maybridge4_002122 CS/C(=C(/C#N)\C(=O)c1ccc(Cl)cc1)/NCC2CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A11 compound treatment 0.007 -0.0046255 -0.0241 0.02 -2.7002E-4 -0.0015 0.054 0.03162 0.1788 0.0885 0.4902 1505422 Maybridge4_002123 O=C(Nc1cc(nn1c2ccccc2)C3CC3)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A12 compound treatment 0.029 0.017374 0.0906 0.0 -0.02027 -0.1126 -0.022 -0.04438 -0.251 -0.1577 -0.5443 3063686 Maybridge4_002124 CC(C)S(=O)(=O)/C(=C/Nc1ncccn1)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A13 compound treatment -0.009 -0.020626 -0.1075 -0.08 -0.10027 -0.5572 0.117 0.09462 0.5351 -0.0748 -0.096 1730851 Maybridge4_002125 Cc1ccc(cc1)C2C(=C(N)OC(=C2C#N)C3CC3)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A14 compound treatment 0.014 0.0023745 0.0124 -0.072 -0.09227 -0.5128 -0.125 -0.14738 -0.8335 -0.7701 -0.7869 3063688 Maybridge4_002126 Cn1ccnc1S(=O)(=O)/C(=C/c2ccc3OCOc3c2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A15 compound treatment 0.264 0.25237 1.3154 -0.152 -0.17227 -0.9573 -0.102 -0.12438 -0.7034 -0.1994 -0.1125 1337308 Maybridge4_002127 CCOC(=O)c1cnc2n(C)nc(C3CC3)c2c1N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A16 compound treatment -0.066 -0.077626 -0.4046 -0.013 -0.03327 -0.1849 -0.088 -0.11038 -0.6242 -0.7007 -0.9142 3063690 Maybridge4_002128 Cc1cc(nc2c(Br)c(nn12)C(C)(C)C)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A17 compound treatment 3.728 3.7164 8.5392 -0.032 -0.05227 -0.2905 0.124 0.10162 0.5747 5.0942 0.5949 1574781 Maybridge4_002129 COc1c(Cl)scc1NC(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A18 compound treatment -0.007 -0.018626 -0.0971 0.299 0.27873 1.5489 -0.07 -0.09238 -0.5224 0.5366 0.3277 3063692 Maybridge4_002130 CSC(=C(C#N)C(=O)c1cccc(c1)C(F)(F)F)SC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A19 compound treatment 0.027 0.015374 0.0801 0.152 0.13173 0.732 0.117 0.09462 0.5351 0.7778 0.8545 3178240 Maybridge4_002131 Clc1ccccc1C(=O)C(=C2SCCCS2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A20 compound treatment -0.129 -0.14063 -0.733 0.164 0.14373 0.7987 -0.275 -0.29738 -1.6817 -0.933 -0.4663 1150123 Maybridge4_002132 CC(C)CC(NC(=O)Cc1ccsc1)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A21 compound treatment 0.037 0.025374 0.1323 0.102 0.08173 0.4542 -0.096 -0.11838 -0.6695 -0.0479 -0.0585 3063728 Maybridge4_002133 COc1cccc(c1)c2nc(N)nc(SC)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A22 compound treatment -0.211 -0.22263 -1.1604 -0.151 -0.17127 -0.9518 -0.146 -0.16838 -0.9522 -1.7692 -0.9954 3178241 Maybridge4_002134 Fc1ccc(N/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A23 mock treatment 0.007 -0.0046255 -0.0241 0.034 0.01373 0.0763 -0.013 -0.03538 -0.2001 -0.0854 -0.3962 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 A24 mock treatment 0.094 0.082374 0.4294 -0.027 -0.04727 -0.2627 0.05 0.02762 0.1562 0.1864 0.3537 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B01 compound treatment 0.106 0.094374 0.4919 0.095 0.07473 0.4153 -0.255 -0.27738 -1.5686 -0.3819 -0.2252 3178242 Maybridge4_002135 FC(F)(F)c1cc(CN/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc(c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B02 compound treatment -0.125 -0.13663 -0.7121 -0.178 -0.19827 -1.1018 0.026 0.0036202 0.0205 -1.0355 -0.7892 3063731 Maybridge4_002136 COC(=O)c1ccc2C(=O)/C(=C/Nc3ccc(Cl)cc3)/S(=O)(=O)N(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B03 compound treatment -0.061 -0.072626 -0.3785 0.228 0.20773 1.1544 0.375 0.35262 1.9941 1.5992 0.6849 3178243 Maybridge4_002137 CSc1sc(/C(=N\O)/C)c2CC(C)(C)C/C(=N/O)/c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B04 compound treatment 0.03 0.018374 0.0958 0.024 0.00373 0.0207 0.077 0.05462 0.3089 0.2456 0.7579 3063732 Maybridge4_002138 COC(=O)c1sc(SC)c(c1C)c2ccon2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B05 compound treatment -0.158 -0.16963 -0.8841 -0.007 -0.02727 -0.1515 -0.019 -0.04138 -0.234 -0.7331 -0.7907 3178244 Maybridge4_002139 Clc1ccc(Sc2ccccc2CN/C(=C(\N=C\c3cccs3)/C#N)/C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B06 compound treatment -0.086 -0.097626 -0.5088 -0.025 -0.04527 -0.2516 -0.237 -0.25938 -1.4668 -1.2859 -0.8176 3063733 Maybridge4_002140 CN(C)/C=C/C(=O)c1ccc2OC(C)(C)CCc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B07 compound treatment 0.053 0.041374 0.2157 0.012 -0.00827 -0.046 0.106 0.08362 0.4729 0.371 0.711 1330787 Maybridge4_002141 Clc1ccc(cc1)C(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)Cc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B08 compound treatment 0.189 0.17737 0.9245 -0.006 -0.02627 -0.146 0.021 -0.0013798 -0.0078 0.445 0.4754 3063734 Maybridge4_002142 Clc1ccc(cc1)S(=O)(=O)C(=C2SCCCCS2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B09 compound treatment -0.083 -0.094626 -0.4932 -0.046 -0.06627 -0.3683 0.113 0.09062 0.5125 -0.2015 -0.2516 1191188 Maybridge4_002143 CSc1scc2CCc3cn(nc3-c12)C(=O)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B10 compound treatment -0.084 -0.095626 -0.4984 -0.113 -0.13327 -0.7406 -0.097 -0.11938 -0.6751 -1.1051 -0.9874 1483249 Maybridge4_002144 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)S(=O)(=O)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B11 compound treatment -0.205 -0.21663 -1.1291 -0.062 -0.08227 -0.4572 -0.024 -0.04638 -0.2623 -1.0673 -0.8565 3178245 Maybridge4_002145 Cc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B12 compound treatment 0.023 0.011374 0.0593 -0.073 -0.09327 -0.5183 0.151 0.12862 0.7274 0.1549 0.1731 3063735 Maybridge4_002146 FC(F)(F)c1cc(n2ncc(C(=O)NC(=S)Nc3ccccc3Cl)c2n1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B13 compound treatment -0.158 -0.16963 -0.8841 0.035 0.01473 0.0819 0.04 0.01762 0.0996 -0.4057 -0.454 1629969 Maybridge4_002147 CCOC(=O)c1sc(SC)c-2c1CCc3cnc(SC)nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B14 compound treatment 0.053 0.041374 0.2157 -0.156 -0.17627 -0.9796 0.117 0.09462 0.5351 -0.1321 -0.1162 3178246 Maybridge4_002148 CC(C)CSc1nnc(CSCc2nc(cs2)c3ccc(Cl)cc3)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B15 compound treatment -0.157 -0.16863 -0.8789 0.254 0.23373 1.2989 0.474 0.45162 2.554 1.717 0.5729 1122221 Maybridge4_002149 Clc1ccc(cc1)C2CC(=CC(=S)S2)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B16 compound treatment -0.095 -0.10663 -0.5558 0.0 -0.02027 -0.1126 -0.282 -0.30438 -1.7213 -1.3797 -0.7613 3063769 Maybridge4_002150 NNC(=O)c1ccc(CSc2ccc(cn2)C(F)(F)F)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B17 compound treatment -0.189 -0.20063 -1.0457 -0.093 -0.11327 -0.6295 -0.155 -0.17738 -1.0031 -1.5463 -0.9788 3178247 Maybridge4_002151 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B18 compound treatment 0.071 0.059374 0.3095 0.079 0.05873 0.3264 0.107 0.08462 0.4785 0.6434 0.9797 3063773 Maybridge4_002152 CC(C)(C)SC(=O)c1cccnc1SCCS(=O)(=O)c2cccc(c2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B19 compound treatment -0.093 -0.10463 -0.5453 0.013 -0.00727 -0.0404 -0.182 -0.20438 -1.1558 -1.0055 -0.7864 3178248 Maybridge4_002153 Cc1csc2sc(/C=N/Cc3cccs3)c(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B20 compound treatment -0.018 -0.029626 -0.1544 0.088 0.06773 0.3764 0.054 0.03162 0.1788 0.2314 0.5207 1206852 Maybridge4_002154 CCOC(=O)c1cnc2n(C)nc(C)c2c1Sc3nnc(SC)s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B21 compound treatment 0.055 0.043374 0.2261 -0.052 -0.07227 -0.4016 -0.058 -0.08038 -0.4546 -0.3638 -0.562 3178249 Maybridge4_002155 CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c3CCC=Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B22 compound treatment -0.17 -0.18163 -0.9467 0.057 0.03673 0.2041 0.053 0.03062 0.1732 -0.3287 -0.3342 3178341 Maybridge4_002156 CCOC(=O)CC1Sc2ccccc2N=C1SCC(=O)Nc3cccc(c3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B23 mock treatment 0.084 0.072374 0.3772 -0.018 -0.03827 -0.2127 -0.018 -0.04038 -0.2284 -0.0368 -0.0752 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 B24 mock treatment 0.017 0.0053745 0.028 0.012 -0.00827 -0.046 0.101 0.07862 0.4446 0.2463 0.55 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C01 compound treatment 1.006 0.99437 5.168 0.257 0.23673 1.3155 0.195 0.17262 0.9762 4.3069 0.7944 3063777 Maybridge4_002157 CCN(CC)C(=S)NC(=S)c1ccc(C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C02 compound treatment 0.019 0.0073745 0.0384 -0.021 -0.04127 -0.2293 -0.161 -0.18338 -1.037 -0.709 -0.6671 3178342 Maybridge4_002158 COC(=O)c1ccccc1S(=O)(=O)/C(=C/Nc2nc(C)cc(C)n2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C03 compound treatment -0.034 -0.045626 -0.2378 0.077 0.05673 0.3153 0.014 -0.0083798 -0.0474 0.0174 0.0436 1199477 Maybridge4_002159 CN(C1CCS(=O)(=O)C1)C(=O)COc2ccc(Oc3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C04 compound treatment -0.013 -0.024626 -0.1284 0.07 0.04973 0.2764 0.117 0.09462 0.5351 0.3944 0.6405 3178343 Maybridge4_002160 CSc1c(C#N)c(nn1C(=O)C(C)(C)C)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C05 compound treatment -0.095 -0.10663 -0.5558 0.309 0.28873 1.6045 -0.111 -0.13338 -0.7543 0.17 0.0915 3063778 Maybridge4_002161 CS/C(=N/C(=N)Nc1ccc(Cl)cc1)/N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C06 compound treatment 0.0 -0.011626 -0.0606 0.285 0.26473 1.4711 0.106 0.08362 0.4729 1.0874 0.7032 3178344 Maybridge4_002162 Cc1c(csc1C(=O)Nc2ccc(F)cc2F)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C07 compound treatment 0.198 0.18637 0.9714 0.142 0.12173 0.6765 0.263 0.24062 1.3608 1.737 0.9631 1368486 Maybridge4_002163 OC(=O)c1ccccc1SCC(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C08 compound treatment 0.212 0.20037 1.0444 -0.19 -0.21027 -1.1685 0.175 0.15262 0.8631 0.4267 0.2385 3178345 Maybridge4_002164 CNC(=S)Nc1cscc1S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C09 compound treatment 0.368 0.35637 1.8575 -0.131 -0.15127 -0.8406 0.116 0.09362 0.5294 0.8928 0.4238 3063810 Maybridge4_002165 Clc1cccc(NC(=S)NC(C#N)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C10 compound treatment 0.272 0.26037 1.3571 0.566 0.54573 3.0327 0.424 0.40162 2.2712 3.8458 0.9556 3178346 Maybridge4_002166 CN(C)/C=C/C(=O)c1cnc2cc(C)nn2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C11 compound treatment 0.042 0.030374 0.1583 -0.006 -0.02627 -0.146 0.048 0.02562 0.1449 0.0908 0.3497 1175106 Maybridge4_002167 Cc1c(nnc2cc(nn12)c3ccccc3)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C12 compound treatment 0.181 0.16937 0.8828 0.11 0.08973 0.4986 0.013 -0.0093798 -0.053 0.767 0.7554 3178347 Maybridge4_002168 COC(=O)c1scc(c1n2cccc2)S(=O)(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C13 compound treatment 0.084 0.072374 0.3772 0.055 0.03473 0.193 0.203 0.18062 1.0214 0.919 0.831 1474680 Maybridge4_002169 NC1=C(C#N)C(C(=C(O1)C2CC2)C#N)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C14 compound treatment -0.134 -0.14563 -0.759 0.0 -0.02027 -0.1126 0.119 0.09662 0.5464 -0.1878 -0.1994 1123050 Maybridge4_002170 CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C15 compound treatment -0.044 -0.055626 -0.2899 0.023 0.00273 0.0152 -0.054 -0.07638 -0.4319 -0.408 -0.784 1443948 Maybridge4_002171 O=c1c2CSCc2[nH]c3cc(nn13)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C16 compound treatment -0.057 -0.068626 -0.3577 0.006 -0.01427 -0.0793 0.211 0.18862 1.0667 0.3636 0.3223 3063812 Maybridge4_002172 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C17 compound treatment 0.123 0.11137 0.5805 -0.151 -0.17127 -0.9518 0.195 0.17262 0.9762 0.3493 0.2357 1153510 Maybridge4_002173 COc1c(Cl)scc1NC(=O)N2CC(C)OC(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C18 compound treatment -0.018 -0.029626 -0.1544 0.089 0.06873 0.3819 0.141 0.11862 0.6708 0.5187 0.6588 3063813 Maybridge4_002174 CS(=O)(=O)c1scc(c1C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C19 compound treatment 0.031 0.019374 0.101 0.091 0.07073 0.3931 0.013 -0.0093798 -0.053 0.2546 0.6221 3178348 Maybridge4_002175 CC(C)(C)c1ccc(cc1)c2n[nH]c(c2C#N)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C20 compound treatment 0.024 0.012374 0.0645 -0.039 -0.05927 -0.3294 0.0 -0.02238 -0.1266 -0.226 -0.63 3178349 Maybridge4_002176 Cn1nc(cc1C(F)(F)F)c2ccc(s2)C(=O)Nc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C21 compound treatment 0.095 0.083374 0.4346 -0.285 -0.30527 -1.6964 0.014 -0.0083798 -0.0474 -0.7559 -0.4315 3063814 Maybridge4_002177 COC(=O)c1sc(SC)c(C#N)c1c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C22 compound treatment 0.006 -0.0056255 -0.0293 -0.036 -0.05627 -0.3127 0.013 -0.0093798 -0.053 -0.2281 -0.7161 3178350 Maybridge4_002178 CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c2ccc(s2)c3cc(nn3C)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C23 mock treatment 0.043 0.031374 0.1635 0.041 0.02073 0.1152 0.095 0.07262 0.4107 0.398 0.8713 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 C24 mock treatment 0.027 0.015374 0.0801 -0.129 -0.14927 -0.8295 0.0 -0.02238 -0.1266 -0.5057 -0.6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D01 compound treatment 0.0 -0.011626 -0.0606 0.116 0.09573 0.532 -0.146 -0.16838 -0.9522 -0.2776 -0.2541 3063815 Maybridge4_002179 Nc1nc(ncc1S(=O)(=O)Cc2ccco2)c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D02 compound treatment -0.042 -0.053626 -0.2795 0.037 0.01673 0.093 21.5 21.478 12.1357 6.8989 0.5683 3063818 Maybridge4_002180 CC(C)(C)S(=O)(=O)c1cnc(nc1N)c2cnccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D03 compound treatment 0.012 3.7448E-4 0.002 0.182 0.16173 0.8988 0.013 -0.0093798 -0.053 0.4894 0.5436 3178351 Maybridge4_002181 Cc1csc2sc(COC(=O)Nc3ccccc3)c(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D04 compound treatment -0.387 -0.39863 -2.0777 0.067 0.04673 0.2597 -0.558 -0.58038 -3.2822 -2.9446 -0.7563 3178352 Maybridge4_002182 CSc1sc(C(=O)NN)c2CCCC3(SCCS3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D05 compound treatment 0.139 0.12737 0.6639 0.019 -0.00127 -0.0071 0.042 0.01962 0.111 0.4433 0.6585 3063851 Maybridge4_002183 CCOC(=O)c1sc(c2/C(=N\O)/CC(C)(C)Cc12)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D06 compound treatment -0.155 -0.16663 -0.8685 -0.053 -0.07327 -0.4072 0.212 0.18962 1.0723 -0.1174 -0.0816 3178353 Maybridge4_002184 Cc1ccc(cc1)S(=O)(=O)CCSc2sc(C#N)c3CC(C)(C)CC(=O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D07 compound treatment 0.078 0.066374 0.346 0.039 0.01873 0.1041 0.083 0.06062 0.3428 0.4578 0.9191 1145089 Maybridge4_002185 CSc1sc(C(=O)O)c-2c1S(=O)(=O)N(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D08 compound treatment -0.083 -0.094626 -0.4932 -0.06 -0.08027 -0.4461 0.058 0.03562 0.2014 -0.426 -0.6131 3178354 Maybridge4_002186 FC(F)(F)c1cccc(c1)C(=O)C(=C2SCCCCS2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D09 compound treatment -0.087 -0.098626 -0.5141 0.048 0.02773 0.1541 -0.067 -0.08938 -0.5055 -0.4996 -0.6777 3063853 Maybridge4_002187 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D10 compound treatment 0.099 0.087374 0.4554 0.077 0.05673 0.3153 -0.021 -0.04338 -0.2453 0.3033 0.5007 3178355 Maybridge4_002188 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)S(=O)(=O)c4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D11 compound treatment 0.103 0.091374 0.4763 0.182 0.16173 0.8988 0.284 0.26162 1.4795 1.6481 0.9179 3063854 Maybridge4_002189 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)Sc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D12 compound treatment 0.106 0.094374 0.4919 -0.093 -0.11327 -0.6295 0.0 -0.02238 -0.1266 -0.1525 -0.1885 3178356 Maybridge4_002190 CC1(C)CCc2cc(ccc2O1)c3ccnc(S)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D13 compound treatment 0.066 0.054374 0.2834 -0.112 -0.13227 -0.735 0.128 0.10562 0.5973 0.0841 0.0851 3063856 Maybridge4_002191 Cc1c(Br)sc2sc(c(C)c12)c3nn(C)cc3Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D14 compound treatment -0.028 -0.039626 -0.2065 -0.033 -0.05327 -0.296 -0.146 -0.16838 -0.9522 -0.8399 -0.8248 3178357 Maybridge4_002192 CSc1sc(Cl)c2CC(C)(C)C/C(=N/O)/c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D15 compound treatment 0.063 0.051374 0.2678 -0.059 -0.07927 -0.4405 0.123 0.10062 0.569 0.2288 0.298 3178358 Maybridge4_002193 CC(C)NC(=O)CSc1nccc(n1)c2sc3sc(Br)c(C)c3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D16 compound treatment 0.043 0.031374 0.1635 -0.17 -0.19027 -1.0574 -0.202 -0.22438 -1.2689 -1.2487 -0.7523 3063857 Maybridge4_002194 Sc1nccc(n1)c2ccc3OCCc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D17 compound treatment -0.037 -0.048626 -0.2534 -0.006 -0.02627 -0.146 0.225 0.20262 1.1459 0.4309 0.3644 3063858 Maybridge4_002195 COc1ccc(CSc2nnc(CSc3cccs3)n2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D18 compound treatment -0.127 -0.13863 -0.7225 -0.043 -0.06327 -0.3516 0.071 0.04862 0.275 -0.4614 -0.5433 3178359 Maybridge4_002196 CS(=O)(=NS(=O)(=O)c1cccc2nsnc12)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D19 compound treatment 0.084 0.072374 0.3772 -0.016 -0.03627 -0.2016 0.107 0.08462 0.4785 0.3777 0.5885 3178360 Maybridge4_002197 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCCS(=O)(=O)c4ccccc4)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D20 compound treatment 0.262 0.25037 1.305 -0.179 -0.19927 -1.1074 0.087 0.06462 0.3654 0.3251 0.1858 3063859 Maybridge4_002198 CC(C)C1Oc2c(cccc2N(CC(=O)O)C1=S)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D21 compound treatment -0.315 -0.32663 -1.7024 -0.068 -0.08827 -0.4905 0.074 0.05162 0.2919 -1.0976 -0.6113 3178361 Maybridge4_002199 CSc1nc(nc(c1C#N)c2ccc(OC(F)(F)F)cc2)c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D22 compound treatment -0.026 -0.037626 -0.1961 0.101 0.08073 0.4486 0.136 0.11362 0.6425 0.5168 0.6397 1139728 Maybridge4_002200 CCOC(=O)CC1Sc2ccccc2N=C1SCCS(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D23 mock treatment -0.1 -0.11163 -0.5818 -0.087 -0.10727 -0.5961 -0.039 -0.06138 -0.3471 -0.8805 -0.9757 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 D24 mock treatment 0.041 0.029374 0.1531 0.064 0.04373 0.243 0.033 0.01062 0.0601 0.2634 0.8976 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E01 compound treatment 0.042 0.030374 0.1583 -0.092 -0.11227 -0.6239 -0.175 -0.19738 -1.1162 -0.9133 -0.7088 1149948 Maybridge4_002201 Clc1ccc(cc1)N2CCN(CC2)C3=Cc4ccccc4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E02 compound treatment 0.103 0.091374 0.4763 -0.09 -0.11027 -0.6128 0.023 6.2023E-4 0.0035 -0.0768 -0.099 3178362 Maybridge4_002202 COC(=O)c1ccccc1S(=O)(=O)/C(=C/Nc2nc(SC)nc(n2)C3CC3)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E03 compound treatment -0.132 -0.14363 -0.7486 -0.042 -0.06227 -0.346 -0.086 -0.10838 -0.6129 -0.9859 -0.9594 3063320 Maybridge4_002203 CSc1nc(N)n(n1)c2cc(Cl)cc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E04 compound treatment -0.097 -0.10863 -0.5662 -0.152 -0.17227 -0.9573 0.051 0.02862 0.1619 -0.7862 -0.6995 3178363 Maybridge4_002204 CSc1n[nH]c(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E05 compound treatment 0.144 0.13237 0.69 0.074 0.05373 0.2986 0.055 0.03262 0.1845 0.6772 0.8749 1032087 Maybridge4_002205 Oc1ccnc(SCc2ccc(Cl)cc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E06 compound treatment -0.014 -0.025626 -0.1336 -0.3 -0.32027 -1.7798 0.0 -0.02238 -0.1266 -1.1777 -0.6582 3178364 Maybridge4_002206 CN1c2ccccc2C(=O)/C(=C\Nc3ncccn3)/S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E07 compound treatment 0.033 0.021374 0.1114 0.027 0.00673 0.0374 -0.085 -0.10738 -0.6073 -0.2647 -0.4279 3063324 Maybridge4_002207 CCN(CCC#N)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E08 compound treatment -0.007 -0.018626 -0.0971 -0.457 -0.47727 -2.6523 -0.093 -0.11538 -0.6525 -1.9641 -0.7186 1520456 Maybridge4_002208 CCOC(=O)NS(=O)(=O)c1ccccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E09 compound treatment -0.118 -0.12963 -0.6756 0.054 0.03373 0.1874 -0.123 -0.14538 -0.8221 -0.7565 -0.7001 1248613 Maybridge4_002209 O=c1cc([nH]c2cc(nn12)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E10 compound treatment -0.006 -0.017626 -0.0919 0.093 0.07273 0.4042 0.019 -0.0033798 -0.0191 0.1693 0.408 3178365 Maybridge4_002210 Cc1cccc(c1)c2n[nH]c(c2C#N)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E11 compound treatment 0.057 0.045374 0.2365 0.014 -0.00627 -0.0348 0.039 0.01662 0.094 0.1707 0.6645 1374930 Maybridge4_002211 COc1cccc(c1)c2c(nnc3cc(nn23)c4ccccc4)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E12 compound treatment 0.113 0.10137 0.5284 0.035 0.01473 0.0819 -0.014 -0.03638 -0.2057 0.2335 0.4076 1289071 Maybridge4_002212 Clc1ccc(cc1)S(=O)(=O)CCSc2ccccc2NC(=O)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E13 compound treatment 0.058 0.046374 0.2417 -0.09 -0.11027 -0.6128 0.05 0.02762 0.1562 -0.1241 -0.1832 1391332 Maybridge4_002213 COc1ccc(cc1)C2C(=C(N)OC(=C2C#N)C3CC3)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E14 compound treatment 0.101 0.089374 0.4658 0.157 0.13673 0.7598 0.176 0.15362 0.8688 1.2092 0.9716 3063326 Maybridge4_002214 Cc1nccc(n1)c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E15 compound treatment -0.052 -0.063626 -0.3316 -0.022 -0.04227 -0.2349 -0.014 -0.03638 -0.2057 -0.4459 -0.9788 3178456 Maybridge4_002215 Cn1nc(cc1N)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E16 compound treatment -0.026 -0.037626 -0.1961 0.043 0.02273 0.1263 0.108 0.08562 0.4842 0.2393 0.4452 1540260 Maybridge4_002216 CC(C)S(=O)(=O)c1csc(NC(=O)N2CCCCC2)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E17 compound treatment -0.052 -0.063626 -0.3316 0.018 -0.00227 -0.0126 -0.048 -0.07038 -0.398 -0.4285 -0.827 1698879 Maybridge4_002217 Nc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E18 compound treatment 0.063 0.051374 0.2678 -0.013 -0.03327 -0.1849 0.153 0.13062 0.7387 0.4743 0.5876 1598720 Maybridge4_002218 Clc1ccc(cc1)c2csc(S(=O)C3CCCCC3)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E19 compound treatment 0.007 -0.0046255 -0.0241 -0.007 -0.02727 -0.1515 0.246 0.22362 1.2646 0.6287 0.4935 1438402 Maybridge4_002219 O=C(c1ccccc1)c2cnc3ccccn3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E20 compound treatment -0.027 -0.038626 -0.2013 -0.193 -0.21327 -1.1852 0.026 0.0036202 0.0205 -0.7887 -0.656 3178457 Maybridge4_002220 CN(C)c1scc(c1C#N)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E21 compound treatment -0.049 -0.060626 -0.316 0.035 0.01473 0.0819 -0.03 -0.05238 -0.2962 -0.3062 -0.6947 3178458 Maybridge4_002221 Cc1ccc(cc1)S(=O)(=O)/C(=C/Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E22 compound treatment -0.025 -0.036626 -0.1909 0.043 0.02273 0.1263 0.052 0.02962 0.1675 0.0594 0.2095 1367919 Maybridge4_002222 O=S(=O)(Cc1ccco1)Cc2nc(cs2)c3ccc(cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E23 mock treatment 0.08 0.068374 0.3564 0.172 0.15173 0.8432 -0.034 -0.05638 -0.3188 0.5085 0.5246 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 E24 mock treatment 0.061 0.049374 0.2574 -0.007 -0.02727 -0.1515 -0.028 -0.05038 -0.2849 -0.1034 -0.2505 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F01 compound treatment -0.057 -0.068626 -0.3577 -0.043 -0.06327 -0.3516 0.006 -0.01638 -0.0926 -0.463 -0.9077 3063357 Maybridge4_002223 CNC(=O)c1cc(C#N)c(SC)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F02 compound treatment -0.123 -0.13463 -0.7017 0.075 0.05473 0.3041 -0.007 -0.02938 -0.1661 -0.3255 -0.4159 3178459 Maybridge4_002224 CSc1scc2CCc3cnc(SCC(=O)c4ccc(Cl)cc4)nc3-c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F03 compound treatment -0.096 -0.10763 -0.561 0.72 0.69973 3.8885 0.134 0.11162 0.6312 2.2856 0.5744 3063358 Maybridge4_002225 Cc1csc2sc(C(=O)Oc3ccc(Cl)cc3)c(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F04 compound treatment -0.373 -0.38463 -2.0048 -0.284 -0.30427 -1.6909 -0.39 -0.41238 -2.3321 -3.4801 -0.9916 3178460 Maybridge4_002226 Nc1nc(ncc1S(=O)(=O)c2ccc(cn2)C(F)(F)F)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F05 compound treatment -0.13 -0.14163 -0.7382 -0.237 -0.25727 -1.4297 -0.686 -0.70838 -4.006 -3.5645 -0.8257 3063359 Maybridge4_002227 CSc1sc(cc1c2nc(C)cs2)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F06 compound treatment 0.103 0.091374 0.4763 0.012 -0.00827 -0.046 0.167 0.14462 0.8179 0.7206 0.7605 3178461 Maybridge4_002228 CC(C)S(=O)(=O)c1cscc1NC(=O)c2ccc(s2)c3cc(nn3C)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F07 compound treatment -0.105 -0.11663 -0.6079 -0.186 -0.20627 -1.1463 0.11 0.08762 0.4955 -0.7267 -0.5232 1693988 Maybridge4_002229 CS(=O)(=O)c1sc(C(=O)Nc2ccccc2Cl)c3CCC=Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F08 compound treatment 0.857 0.84537 4.4063 0.076 0.05573 0.3097 -0.079 -0.10138 -0.5733 2.3918 0.537 3178462 Maybridge4_002230 CSc1sc(c2ccon2)c(c1C#N)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F09 compound treatment 0.077 0.065374 0.3407 -0.03 -0.05027 -0.2794 -0.037 -0.05938 -0.3358 -0.1584 -0.286 3178463 Maybridge4_002231 CC1(C)CC(=O)C=C(SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F10 compound treatment 0.085 0.073374 0.3824 0.019 -0.00127 -0.0071 0.075 0.05262 0.2976 0.3885 0.8017 3063360 Maybridge4_002232 FC(F)(F)c1ccc(nc1)S(=O)(=O)Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F11 compound treatment -0.014 -0.025626 -0.1336 0.006 -0.01427 -0.0793 -0.089 -0.11138 -0.6299 -0.4866 -0.75 3178464 Maybridge4_002233 CS(=O)(=NS(=O)(=O)c1ccc(s1)c2ccccn2)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F12 compound treatment -0.069 -0.080626 -0.4202 0.0 -0.02027 -0.1126 -0.013 -0.03538 -0.2001 -0.4232 -0.8837 3063362 Maybridge4_002234 C/S(=N\C(=O)Nc1ccc(Cl)cc1)/c2sc(Cl)c3CCCC(=O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F13 compound treatment 0.013 0.0013745 0.0072 -0.061 -0.08127 -0.4516 -0.013 -0.03538 -0.2001 -0.3721 -0.7533 3178465 Maybridge4_002235 CS(=O)(=NC(=S)NC(=O)Oc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F14 compound treatment -0.081 -0.092626 -0.4828 -0.111 -0.13127 -0.7295 0.027 0.0046202 0.0261 -0.6848 -0.7825 3063392 Maybridge4_002236 FC(F)(F)c1cnc(N2CCS(=NC(=O)c3ccccc3)CC2)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F15 compound treatment -0.264 -0.27563 -1.4366 0.194 0.17373 0.9654 0.333 0.31062 1.7566 0.7421 0.3009 3178466 Maybridge4_002237 Cc1c(Br)sc2sc(c(C)c12)c3ccnc(SCC(=O)NCC=C)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F16 compound treatment -0.025 -0.036626 -0.1909 -0.017 -0.03727 -0.2071 -0.039 -0.06138 -0.3471 -0.4302 -0.9624 1201268 Maybridge4_002238 C(Sc1nccc(n1)c2ccc3OCCc3c2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F17 compound treatment -0.186 -0.19763 -1.0301 -0.617 -0.63727 -3.5414 -0.161 -0.18338 -1.037 -3.2381 -0.8452 1378146 Maybridge4_002239 CS(=O)(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)c3CCC=Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F18 compound treatment 0.129 0.11737 0.6118 0.09 0.06973 0.3875 0.046 0.02362 0.1336 0.6541 0.8882 1406686 Maybridge4_002240 Cc1nn(Cc2cccc(c2)C(=O)NC(=O)Nc3ccc(Cl)cc3)c(C)c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F19 compound treatment -0.11 -0.12163 -0.6339 0.019 -0.00127 -0.0071 -0.007 -0.02938 -0.1661 -0.466 -0.711 1721379 Maybridge4_002241 O=S(=O)(N1CCCCC1)c2ccc(s2)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F20 compound treatment 0.13 0.11837 0.617 -0.006 -0.02627 -0.146 0.191 0.16862 0.9536 0.8225 0.7183 3063394 Maybridge4_002242 CN(C)/C=C\1/C(=O)c2sccc2N(C)S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F21 compound treatment -0.025 -0.036626 -0.1909 -0.075 -0.09527 -0.5294 0.006 -0.01638 -0.0926 -0.4694 -0.8229 3178467 Maybridge4_002243 CSc1sc(c(C)c1c2ccnc(S)n2)c3nc(C)cs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F22 compound treatment -0.051 -0.062626 -0.3264 0.069 0.04873 0.2708 0.062 0.03962 0.2241 0.0972 0.2027 1422989 Maybridge4_002244 Clc1ccc(OC(=O)c2csc(n2)C3COc4ccccc4O3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F23 mock treatment 0.064 0.052374 0.273 0.165 0.14473 0.8043 0.118 0.09562 0.5408 0.9342 0.9278 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 F24 mock treatment 0.006 -0.0056255 -0.0293 -0.03 -0.05027 -0.2794 0.068 0.04562 0.258 -0.0293 -0.0767 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G01 compound treatment 0.245 0.23337 1.2164 0.092 0.07173 0.3986 0.047 0.02462 0.1392 1.0128 0.7866 1651892 Maybridge4_002245 CCCCC1(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G02 compound treatment -0.058 -0.069626 -0.3629 0.029 0.00873 0.0485 -0.092 -0.11438 -0.6468 -0.555 -0.7467 3178468 Maybridge4_002246 CSc1nc(N/C=C(\C#N)/S(=O)(=O)c2ccccc2Cl)nc(n1)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G03 compound treatment -0.133 -0.14463 -0.7538 -0.012 -0.03227 -0.1793 0.2 0.17762 1.0045 0.0412 0.0325 3063398 Maybridge4_002247 CC(=N)NC(=S)Nc1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G04 compound treatment 0.006 -0.0056255 -0.0293 0.06 0.03973 0.2208 -0.289 -0.31138 -1.7609 -0.9061 -0.5105 3178469 Maybridge4_002248 CSc1n[nH]c(NC(=O)Nc2ccccc2)c1S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G05 compound treatment 0.053 0.041374 0.2157 -0.058 -0.07827 -0.435 0.006 -0.01638 -0.0926 -0.1801 -0.3644 3063400 Maybridge4_002249 CN(C)C(=O)Oc1ccnc(SCc2c(F)cccc2Cl)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G06 compound treatment -0.052 -0.063626 -0.3316 0.139 0.11873 0.6598 -0.087 -0.10938 -0.6186 -0.1677 -0.174 3178470 Maybridge4_002250 COc1ccc(cc1)c2n[nH]c(SC)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G07 compound treatment -0.025 -0.036626 -0.1909 -0.06 -0.08027 -0.4461 0.013 -0.0093798 -0.053 -0.3984 -0.8162 3063401 Maybridge4_002251 Cc1ccc(COc2ccc(I)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G08 compound treatment 0.07 0.058374 0.3043 0.013 -0.00727 -0.0404 0.061 0.03862 0.2184 0.2784 0.7391 3178471 Maybridge4_002252 CSc1sc(C(=O)Nc2cccc(Cl)c2)c(c1C#N)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G09 compound treatment -0.006 -0.017626 -0.0919 0.031 0.01073 0.0596 0.013 -0.0093798 -0.053 -0.0492 -0.4046 1687124 Maybridge4_002253 CCN(CCS(=O)(=O)c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G10 compound treatment 0.048 0.036374 0.1896 0.0 -0.02027 -0.1126 0.019 -0.0033798 -0.0191 0.0334 0.1508 3178472 Maybridge4_002254 COC(=O)c1scc(c1N)S(=O)(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G11 compound treatment 0.053 0.041374 0.2157 0.0 -0.02027 -0.1126 0.006 -0.01638 -0.0926 0.006 0.023 1226475 Maybridge4_002255 NC(=O)c1nnc2cc(nn2c1N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G12 compound treatment -0.059 -0.070626 -0.3681 -0.168 -0.18827 -1.0462 0.0 -0.02238 -0.1266 -0.8897 -0.797 1452741 Maybridge4_002256 Clc1ccc(cc1)S(=O)(=O)CCSc2ccccc2NC(=O)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G13 compound treatment 0.006 -0.0056255 -0.0293 0.006 -0.01427 -0.0793 0.093 0.07062 0.3994 0.1679 0.4112 3063431 Maybridge4_002257 Fc1cccc(Cl)c1CN/C(=C(\N=C\c2cccs2)/C#N)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G14 compound treatment 0.111 0.099374 0.518 0.107 0.08673 0.482 -0.086 -0.10838 -0.6129 0.2235 0.2387 3178473 Maybridge4_002258 Clc1cccc(Cl)c1CSc2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G15 compound treatment -0.093 -0.10463 -0.5453 0.155 0.13473 0.7487 -0.104 -0.12638 -0.7147 -0.2952 -0.2523 3178474 Maybridge4_002259 COc1ccc(/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G16 compound treatment 0.0 -0.011626 -0.0606 -0.236 -0.25627 -1.4241 -0.007 -0.02938 -0.1661 -0.9531 -0.6642 1133071 Maybridge4_002260 CNC(=O)Nc1ccccc1NC2=C(CSC2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G17 compound treatment 0.14 0.12837 0.6691 -0.107 -0.12727 -0.7073 -0.019 -0.04138 -0.234 -0.1571 -0.1569 3178475 Maybridge4_002261 CC1CN(CC(C)O1)/C=C(\C#N)/S(=O)(=O)c2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G18 compound treatment -0.006 -0.017626 -0.0919 -0.091 -0.11127 -0.6183 0.086 0.06362 0.3598 -0.2023 -0.2805 3063432 Maybridge4_002262 CS(=O)(=NS(=O)(=O)c1ccccc1C(F)(F)F)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G19 compound treatment 0.044 0.032374 0.1687 -0.019 -0.03927 -0.2182 0.039 0.01662 0.094 0.0257 0.0882 1259331 Maybridge4_002263 COCc1cc(O)nc2n(C)nc(c3cccs3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G20 compound treatment 0.056 0.044374 0.2313 0.077 0.05673 0.3153 0.067 0.04462 0.2523 0.4612 0.9911 3063433 Maybridge4_002264 CS/C(=C(/C#N)\S(=O)(=O)C(C)C)/N1CCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G21 compound treatment -0.533 -0.54463 -2.8387 -0.236 -0.25627 -1.4241 -0.348 -0.37038 -2.0946 -3.6705 -0.9648 3178476 Maybridge4_002265 CSc1c(C#N)c(nn1CC(=O)NN)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G22 compound treatment 0.11 0.098374 0.5128 0.082 0.06173 0.343 0.081 0.05862 0.3315 0.6855 0.9788 3063434 Maybridge4_002266 Cc1onc(c1C(=O)N=S(=O)(C)C)c2c(Cl)cccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G23 mock treatment 0.19 0.17837 0.9297 0.182 0.16173 0.8988 -0.093 -0.11538 -0.6525 0.679 0.4688 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 G24 mock treatment 0.062 0.050374 0.2626 0.04 0.01973 0.1096 -0.031 -0.05338 -0.3019 0.0406 0.0979 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H01 compound treatment -0.058 -0.069626 -0.3629 -0.122 -0.14227 -0.7906 -0.091 -0.11338 -0.6412 -1.0362 -0.9588 3178477 Maybridge4_002267 CCOC(=O)c1sc(SCc2ccccc2)c(c1n3cccc3)S(=O)(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H02 compound treatment -0.049 -0.060626 -0.316 -0.162 -0.18227 -1.0129 0.103 0.08062 0.4559 -0.504 -0.4364 1259984 Maybridge4_002268 CSc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3-c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H03 compound treatment -0.043 -0.054626 -0.2847 0.158 0.13773 0.7654 -0.494 -0.51638 -2.9202 -1.4085 -0.4645 3063436 Maybridge4_002269 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H04 compound treatment 0.026 0.014374 0.0749 -0.049 -0.06927 -0.3849 0.047 0.02462 0.1392 -0.0986 -0.2369 3178558 Maybridge4_002270 COC(=O)c1sc(SCCOC(=O)c2ccccc2Cl)c3C(=O)CC(C)(C)Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H05 compound treatment -0.101 -0.11263 -0.587 -0.119 -0.13927 -0.7739 -0.085 -0.10738 -0.6073 -1.1364 -0.9919 3063438 Maybridge4_002271 CSc1sc(C#N)c(C)c1c2ccn(n2)C(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H06 compound treatment -0.037 -0.048626 -0.2534 0.068 0.04773 0.2652 -0.131 -0.15338 -0.8674 -0.494 -0.5245 3178559 Maybridge4_002272 CSc1sc(C(=O)/C=C/N(C)C)c(c1C#N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H07 compound treatment 0.154 0.14237 0.7421 0.322 0.30173 1.6768 0.199 0.17662 0.9988 1.9732 0.945 1222048 Maybridge4_002273 CS(=O)c1sc(C(=O)OCc2ccccc2)c3CC(C)(C)CC(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H08 compound treatment -0.06 -0.071626 -0.3733 0.15 0.12973 0.7209 -0.031 -0.05338 -0.3019 0.0264 0.0305 3178560 Maybridge4_002274 CSc1sc(c2cc[nH]n2)c(c1C#N)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H09 compound treatment 0.025 0.013374 0.0697 0.019 -0.00127 -0.0071 0.026 0.0036202 0.0205 0.048 0.6575 3178561 Maybridge4_002275 CC1(C)CC(=O)C=C(SCc2c(Cl)cccc2Cl)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H10 compound treatment -0.196 -0.20763 -1.0822 -0.347 -0.36727 -2.041 -0.222 -0.24438 -1.382 -2.6011 -0.9662 1307156 Maybridge4_002276 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)C(=O)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H11 compound treatment 0.222 0.21037 1.0965 0.287 0.26673 1.4823 0.265 0.24262 1.3721 2.281 0.9925 3063440 Maybridge4_002277 CSc1nnc(c2ccc(s2)S(=O)(=O)n3nc(C)cc3C)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H12 compound treatment 0.081 0.069374 0.3616 -0.058 -0.07827 -0.435 -0.126 -0.14838 -0.8391 -0.5268 -0.5206 3178562 Maybridge4_002278 CCSc1nccc(n1)c2ccc3OC(C)(C)CCc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H13 compound treatment 0.02 0.0083745 0.0436 -0.141 -0.16127 -0.8962 -0.065 -0.08738 -0.4941 -0.7775 -0.759 3063442 Maybridge4_002279 Cc1csc2sc(c(C)c12)c3ccnc(SCc4ccccc4)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H14 compound treatment 0.164 0.15237 0.7942 0.164 0.14373 0.7987 0.113 0.09062 0.5125 1.2156 0.9823 3178563 Maybridge4_002280 CCOC(=O)c1sc(/S(=N/C(=O)Nc2ccccc2Cl)/C)c3C=CCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H15 compound treatment 0.07 0.058374 0.3043 -0.448 -0.46827 -2.6023 -0.052 -0.07438 -0.4206 -1.5696 -0.5915 1505800 Maybridge4_002281 COC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(s1)c2nnc(SC)n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H16 compound treatment -0.039 -0.050626 -0.2639 0.018 -0.00227 -0.0126 0.138 0.11562 0.6539 0.2179 0.309 3178564 Maybridge4_002282 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCSc2ncccc2C(=O)NCc3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H17 compound treatment 0.094 0.082374 0.4294 -0.114 -0.13427 -0.7462 0.034 0.01162 0.0657 -0.145 -0.1679 3178565 Maybridge4_002283 Clc1ccc(cc1)C2CC(=O)C=C(SCC(=O)c3ccccc3)S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H18 compound treatment 4.588 4.5764 8.9728 0.037 0.01673 0.093 -0.031 -0.05338 -0.3019 5.0598 0.5636 3063443 Maybridge4_002284 C/C(=N\O)/c1ccc2OCCc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H19 compound treatment -0.27 -0.28163 -1.4679 0.223 0.20273 1.1266 -0.532 -0.55438 -3.1351 -2.0071 -0.5513 3063445 Maybridge4_002285 CC1(C)CC(=O)c2c(SCC(=O)NN)sc(C#N)c2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H20 compound treatment 0.007 -0.0046255 -0.0241 -0.051 -0.07127 -0.3961 0.21 0.18762 1.061 0.37 0.3266 1254429 Maybridge4_002286 Cc1nn(C)c2ncc(C(=O)N)c(Oc3cccnc3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H21 compound treatment -0.086 -0.097626 -0.5088 0.031 0.01073 0.0596 0.094 0.07162 0.405 -0.0255 -0.0391 3063446 Maybridge4_002287 CCOC(=O)c1sc(SC)c2c1CCCC32SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H22 compound treatment -0.079 -0.090626 -0.4724 0.013 -0.00727 -0.0404 0.139 0.11662 0.6595 0.0847 0.1043 1921420 Maybridge4_002288 OC(=O)/C=C/1\OC(=O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H23 mock treatment 0.137 0.12537 0.6535 -0.16 -0.18027 -1.0018 0.075 0.05262 0.2976 -0.0293 -0.0238 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 H24 mock treatment 0.052 0.040374 0.2104 0.11 0.08973 0.4986 0.103 0.08062 0.4559 0.6726 0.9505 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I01 compound treatment -0.227 -0.23863 -1.2438 0.248 0.22773 1.2655 -0.155 -0.17738 -1.0031 -0.5666 -0.278 3178566 Maybridge4_002289 Cc1ccc(cc1)C(=O)OC[C@H]2O[C@@H](C[C@@H]2OC(=O)c3ccc(C)cc3)c4nnc5ncccn45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I02 compound treatment 0.199 0.18737 0.9766 0.219 0.19873 1.1044 0.206 0.18362 1.0384 1.801 0.9987 3178567 Maybridge4_002290 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)Cc2ccc(Cl)cc2)cc(c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I03 compound treatment 0.039 0.027374 0.1427 -0.011 -0.03127 -0.1738 0.014 -0.0083798 -0.0474 -0.0453 -0.1972 3063447 Maybridge4_002291 CCOC(=O)c1c(C)noc1c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I04 compound treatment -0.149 -0.16063 -0.8372 0.037 0.01673 0.093 0.006 -0.01638 -0.0926 -0.4832 -0.5702 3064096 Maybridge4_002292 CSc1sc(NC(=O)N2CCOCC2)c(c1C#N)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I05 compound treatment 0.089 0.077374 0.4033 0.032 0.01173 0.0652 -0.049 -0.07138 -0.4037 0.0374 0.0652 3064097 Maybridge4_002293 CCOC(=O)/C=C/1\NC(=O)CS1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I06 compound treatment 0.098 0.086374 0.4502 0.087 0.06673 0.3708 -0.156 -0.17838 -1.0088 -0.1084 -0.093 3064098 Maybridge4_002294 CSc1[nH]nc(c1C#N)c2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I07 compound treatment 0.199 0.18737 0.9766 0.069 0.04873 0.2708 0.181 0.15862 0.897 1.2381 0.9148 3064099 Maybridge4_002295 Fc1ccc(NC(=S)N(CCC#N)CC2CCCO2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I08 compound treatment 0.013 0.0013745 0.0072 0.054 0.03373 0.1874 -0.09 -0.11238 -0.6355 -0.2546 -0.3842 3064100 Maybridge4_002296 CSc1sc(C(=O)O)c(C)c1S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I09 compound treatment -0.025 -0.036626 -0.1909 0.029 0.00873 0.0485 -0.07 -0.09238 -0.5224 -0.3838 -0.6875 1242964 Maybridge4_002297 Cc1nn(c(NC(=O)c2ccccc2)c1C#N)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I10 compound treatment 0.086 0.074374 0.3877 -0.018 -0.03827 -0.2127 -0.025 -0.04738 -0.2679 -0.0537 -0.1038 3064101 Maybridge4_002298 CC(C)(C)S(=O)(=O)/C(=C/Nc1ccccn1)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I11 compound treatment 0.103 0.091374 0.4763 -0.026 -0.04627 -0.2571 0.0 -0.02238 -0.1266 0.0534 0.0962 1003716 Maybridge4_002299 Cc1ccc(cc1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I12 compound treatment -0.007 -0.018626 -0.0971 0.035 0.01473 0.0819 0.064 0.04162 0.2354 0.1271 0.4753 3064102 Maybridge4_002300 COC(=O)c1scc(c1/N=C/N(C)C)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I13 compound treatment 0.077 0.065374 0.3407 -0.087 -0.10727 -0.5961 0.021 -0.0013798 -0.0078 -0.1519 -0.2213 3178568 Maybridge4_002301 COc1cccc(c1)C(=O)/C=c/2\[nH]c(=O)\c(=C/c3cccs3)\s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I14 compound treatment 0.028 0.016374 0.0853 0.13 0.10973 0.6098 -0.007 -0.02938 -0.1661 0.3054 0.4789 1621333 Maybridge4_002302 Cc1nccc(n1)c2cccc(NC(=O)Nc3ccccc3)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I15 compound treatment -0.027 -0.038626 -0.2013 -0.082 -0.10227 -0.5683 -0.014 -0.03638 -0.2057 -0.5631 -0.884 1156135 Maybridge4_002303 CC(C)(C)c1ccc(cc1)c2n[nH]c(NS(=O)(=O)c3ccccc3)c2Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I16 compound treatment -0.038 -0.049626 -0.2587 0.026 0.00573 0.0318 -0.147 -0.16938 -0.9579 -0.684 -0.689 3064103 Maybridge4_002304 COC(=O)c1sc(SC)c(C#N)c1c2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I17 compound treatment 0.007 -0.0046255 -0.0241 -0.051 -0.07127 -0.3961 0.225 0.20262 1.1459 0.419 0.3455 1665125 Maybridge4_002305 O=C(Nc1ccccc1)Nc2ccc(cc2)C3SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I18 compound treatment -0.007 -0.018626 -0.0971 0.059 0.03873 0.2152 -0.076 -0.09838 -0.5564 -0.253 -0.4186 3064104 Maybridge4_002306 O=S(=O)(C(=C1SCCCS1)C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I19 compound treatment -0.053 -0.064626 -0.3368 0.122 0.10173 0.5653 -0.029 -0.05138 -0.2906 -0.0358 -0.0498 3178569 Maybridge4_002307 CSc1nc2cc(C)nn2c(c1C#N)c3ccc(cc3)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I20 compound treatment -0.135 -0.14663 -0.7642 0.094 0.07373 0.4097 0.177 0.15462 0.8744 0.3002 0.2437 3178570 Maybridge4_002308 Cc1ccc(cc1)S(=O)(=NC(=O)NC(=O)c2c(Cl)cccc2Cl)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I21 compound treatment -0.076 -0.087626 -0.4567 -0.073 -0.09327 -0.5183 -0.034 -0.05638 -0.3188 -0.747 -0.9818 3064105 Maybridge4_002309 CSc1nc(C)nc(N/C=C(\C#N)/S(=O)(=O)c2ccc(C)cc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I22 compound treatment 0.02 0.0083745 0.0436 0.012 -0.00827 -0.046 0.155 0.13262 0.75 0.4317 0.5735 1118314 Maybridge4_002310 NNC(=O)c1csc(CS(=O)(=O)Cc2ccco2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I23 mock treatment 0.179 0.16737 0.8724 0.013 -0.00727 -0.0404 0.061 0.03862 0.2184 0.6064 0.6737 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 I24 mock treatment 0.036 0.024374 0.127 -0.106 -0.12627 -0.7017 0.007 -0.01538 -0.087 -0.382 -0.5317 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J01 compound treatment 0.086 0.074374 0.3877 0.09 0.06973 0.3875 -0.363 -0.38538 -2.1794 -0.8107 -0.3608 3064106 Maybridge4_002311 CSc1sc(c2n[nH]cc2Br)c3CC(C)(C)CC(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J02 compound treatment -0.134 -0.14563 -0.759 0.068 0.04773 0.2652 0.149 0.12662 0.7161 0.1283 0.1192 3178571 Maybridge4_002312 CSc1scc2CCc3cnc(SCC(=O)NCC=C)nc3-c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J03 compound treatment -0.119 -0.13063 -0.6809 0.213 0.19273 1.071 0.026 0.0036202 0.0205 0.2371 0.1868 3064107 Maybridge4_002313 CSc1sc(C#N)c2CC(CC(=O)c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J04 compound treatment 1.381 1.3694 6.0403 0.017 -0.00327 -0.0182 0.253 0.23062 1.3042 4.2299 0.6845 3178572 Maybridge4_002314 NC(=S)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J05 compound treatment -0.076 -0.087626 -0.4567 -0.051 -0.07127 -0.3961 -0.006 -0.02838 -0.1605 -0.585 -0.9353 3064108 Maybridge4_002315 COC(=O)c1sccc1N/C=C(\C#N)/S(=O)(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J06 compound treatment 0.112 0.10037 0.5232 -0.05 -0.07027 -0.3905 -0.054 -0.07638 -0.4319 -0.1728 -0.2207 3178573 Maybridge4_002316 CCOC(=O)c1sc(SC)c-2c1CCc3conc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J07 compound treatment 0.088 0.076374 0.3981 0.082 0.06173 0.343 -0.005 -0.02738 -0.1548 0.3385 0.6179 3178574 Maybridge4_002317 Cc1nn(Cc2nnc(o2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c(C)c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J08 compound treatment 0.264 0.25237 1.3154 0.134 0.11373 0.632 0.007 -0.01538 -0.087 1.0741 0.7347 3064109 Maybridge4_002318 CCCS(=O)(=O)/C(=C/c1sccc1Oc2ccccc2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J09 compound treatment -0.033 -0.044626 -0.2326 -0.13 -0.15027 -0.8351 -0.012 -0.03438 -0.1944 -0.7287 -0.8202 3178575 Maybridge4_002319 Cc1ccc(cc1)S(=O)(=O)CCSC2=CC(=O)CC(C)(C)S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J10 compound treatment -0.131 -0.14263 -0.7434 0.055 0.03473 0.193 -0.029 -0.05138 -0.2906 -0.4855 -0.5913 3064110 Maybridge4_002320 Clc1ccc(cc1)c2ccnc(SCCS(=O)(=O)c3ccc(Cl)cc3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J11 compound treatment -0.024 -0.035626 -0.1857 -0.094 -0.11427 -0.635 -0.28 -0.30238 -1.71 -1.4611 -0.7969 3178576 Maybridge4_002321 CSc1sc(C(=O)Sc2ccccc2)c-3c1S(=O)(=O)N(C)c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J12 compound treatment 0.036 0.024374 0.127 0.0 -0.02027 -0.1126 0.072 0.04962 0.2806 0.1703 0.5193 1454764 Maybridge4_002322 CCOC(=O)C1=C(Nc2ccc(OC(=O)C)cc2)C(=O)N(C1)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J13 compound treatment -0.109 -0.12063 -0.6287 -0.071 -0.09127 -0.5072 -0.227 -0.24938 -1.4103 -1.4701 -0.9045 3178577 Maybridge4_002323 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)c4ccccc4)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J14 compound treatment -0.166 -0.17763 -0.9258 0.133 0.11273 0.6265 0.115 0.09262 0.5238 0.1296 0.105 3178578 Maybridge4_002324 CCOC(=O)c1sc(/S(=N/S(=O)(=O)c2cccc(Cl)c2)/C)c3C=CCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J15 compound treatment 0.02 0.0083745 0.0436 0.021 7.2998E-4 0.0041 0.021 -0.0013798 -0.0078 0.023 0.5174 3064111 Maybridge4_002325 COc1cccc(NC(=S)N=S(=O)(C)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J16 compound treatment -0.155 -0.16663 -0.8685 1.098 1.0777 5.7205 -0.169 -0.19138 -1.0823 2.1765 0.3697 3178579 Maybridge4_002326 CCCCc1ccc(NC(=O)N=S2CCN(CC2)c3ncc(cc3Cl)C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J17 compound treatment 0.097 0.085374 0.445 -0.059 -0.07927 -0.4405 -0.09 -0.11238 -0.6355 -0.3643 -0.4084 3064112 Maybridge4_002327 Cc1nn(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)c(C)c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J18 compound treatment -0.013 -0.024626 -0.1284 0.104 0.08373 0.4653 0.046 0.02362 0.1336 0.2717 0.5424 3178580 Maybridge4_002328 C/S(=N/C(=O)Nc1ccc(Cl)cc1)/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J19 compound treatment 0.14 0.12837 0.6691 0.092 0.07173 0.3986 -0.031 -0.05338 -0.3019 0.4422 0.5293 3064113 Maybridge4_002329 CS(=O)(=NS(=O)(=O)c1cc(cs1)S(=O)(=O)c2ccccc2)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J20 compound treatment 0.08 0.068374 0.3564 0.049 0.02873 0.1597 0.393 0.37062 2.0959 1.508 0.7073 1183286 Maybridge4_002330 CN1c2ccsc2-c3nc(SCc4ccc(Cl)cc4)ncc3S1(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J21 compound treatment 0.02 0.0083745 0.0436 -0.112 -0.13227 -0.735 0.187 0.16462 0.931 0.1383 0.1165 3064114 Maybridge4_002331 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CCSc2ccc(cn2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J22 compound treatment -0.014 -0.025626 -0.1336 -0.025 -0.04527 -0.2516 -0.022 -0.04438 -0.251 -0.3673 -0.9674 3178581 Maybridge4_002332 O=C(CCN1CCC(=N1)c2cccs2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J23 mock treatment 0.083 0.071374 0.372 0.156 0.13573 0.7543 0.085 0.06262 0.3541 0.8547 0.9366 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 J24 mock treatment 0.006 -0.0056255 -0.0293 -0.049 -0.06927 -0.3849 0.077 0.05462 0.3089 -0.0608 -0.1231 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K01 compound treatment 0.08 0.068374 0.3564 0.007 -0.01327 -0.0737 -0.026 -0.04838 -0.2736 0.0052 0.0115 3064115 Maybridge4_002333 C/C(=C\C#N)/Nc1c(C)n(C)n(c2ccccc2)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K02 compound treatment -0.046 -0.057626 -0.3004 0.053 0.03273 0.1819 0.122 0.09962 0.5634 0.2569 0.3869 3178657 Maybridge4_002334 CSc1sc(C(=O)O)c(c1C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K03 compound treatment 0.132 0.12037 0.6274 -0.062 -0.08227 -0.4572 0.093 0.07062 0.3994 0.3289 0.3767 1629094 Maybridge4_002335 NC(=S)NN1C2CSC1CS2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K04 compound treatment -0.097 -0.10863 -0.5662 0.038 0.01773 0.0985 -0.179 -0.20138 -1.1388 -0.9275 -0.7271 3178658 Maybridge4_002336 CSc1c(C#N)c(nn1C(=O)c2cccs2)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K05 compound treatment 0.068 0.056374 0.2938 -0.064 -0.08427 -0.4683 0.168 0.14562 0.8235 0.3747 0.3778 3178659 Maybridge4_002337 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCCN3C2c4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K06 compound treatment -0.631 -0.64263 -3.3495 -0.143 -0.16327 -0.9073 -0.655 -0.67738 -3.8307 -4.6693 -0.9034 3064116 Maybridge4_002338 CSc1nc(/N=C/N(C)C)n2nc(cc2n1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K07 compound treatment 0.209 0.19737 1.0288 -0.025 -0.04527 -0.2516 -0.068 -0.09038 -0.5111 0.1536 0.1306 3178660 Maybridge4_002339 CN(CCC#N)C(=S)Nc1ccc(F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K08 compound treatment 0.222 0.21037 1.0965 0.103 0.08273 0.4597 0.006 -0.01638 -0.0926 0.845 0.7086 3064117 Maybridge4_002340 COC(=O)c1scc(C#N)c1/N=C/N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K09 compound treatment -0.168 -0.17963 -0.9363 -0.074 -0.09427 -0.5239 -0.176 -0.19838 -1.1219 -1.4907 -0.9603 1197958 Maybridge4_002341 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K10 compound treatment 0.069 0.057374 0.299 -0.206 -0.22627 -1.2574 0.019 -0.0033798 -0.0191 -0.5644 -0.4366 1372972 Maybridge4_002342 COc1ncccc1C(=O)Nc2ccc(F)cc2F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K11 compound treatment 0.04 0.028374 0.1479 0.012 -0.00827 -0.046 0.006 -0.01638 -0.0926 0.0054 0.0298 3178661 Maybridge4_002343 CC(=O)Nc1c(Br)c(nn1c2ccccc2)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K12 compound treatment -0.064 -0.075626 -0.3942 0.006 -0.01427 -0.0793 -0.025 -0.04738 -0.2679 -0.4281 -0.8859 3064118 Maybridge4_002344 O=S(=O)(/C(=C/c1ccc(\C=C(/C#N)\S(=O)(=O)c2ccccc2)cc1)/C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K13 compound treatment 0.006 -0.0056255 -0.0293 -0.02 -0.04027 -0.2238 0.045 0.02262 0.1279 -0.0723 -0.2786 3178662 Maybridge4_002345 Oc1c2CN(C3CCCCC3)C(=O)c2nc4cc(nn14)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K14 compound treatment -0.02 -0.031626 -0.1648 0.006 -0.01427 -0.0793 0.039 0.01662 0.094 -0.0867 -0.4215 1503351 Maybridge4_002346 CNC(=O)Nc1cccc(c1)c2ccnc(C)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K15 compound treatment -0.063 -0.074626 -0.389 0.221 0.20073 1.1155 -0.104 -0.12638 -0.7147 0.0068 0.0049 3178663 Maybridge4_002347 Clc1ccc(cc1)S(=O)(=O)/C(=C/c2ccccc2Cl)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K16 compound treatment -0.037 -0.048626 -0.2534 -0.087 -0.10727 -0.5961 -0.039 -0.06138 -0.3471 -0.6909 -0.9401 1326810 Maybridge4_002348 CC(C)S(=O)(=O)c1cnc(nc1N)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K17 compound treatment 0.073 0.061374 0.3199 -0.036 -0.05627 -0.3127 0.093 0.07062 0.3994 0.2347 0.3914 3064119 Maybridge4_002349 CNC(=O)Nc1ccc(cc1)C2SCCS2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K18 compound treatment -0.127 -0.13863 -0.7225 -0.61 -0.63027 -3.5025 -0.044 -0.06638 -0.3754 -2.6561 -0.7386 1218060 Maybridge4_002350 CCOC(=O)c1cnc2c(csc2c1Sc3ccc(Cl)cc3)S(=O)(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K19 compound treatment 0.056 0.044374 0.2313 0.072 0.05173 0.2875 -0.119 -0.14138 -0.7995 -0.1621 -0.1841 3064120 Maybridge4_002351 CSc1nc2cc(C)nn2c(c3ccco3)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K20 compound treatment 0.122 0.11037 0.5753 -0.038 -0.05827 -0.3238 0.119 0.09662 0.5464 0.4607 0.5376 1209169 Maybridge4_002352 CS(=O)N(C(=O)c1scc(c1C)S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K21 compound treatment -0.012 -0.023626 -0.1231 0.105 0.08473 0.4709 0.019 -0.0033798 -0.0191 0.1897 0.3895 1134325 Maybridge4_002353 COCc1cc(OC(=O)N(C)C)nc2n(C)nc(c3cccs3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K22 compound treatment 0.038 0.026374 0.1375 -0.083 -0.10327 -0.5739 -0.033 -0.05538 -0.3132 -0.4328 -0.6478 1310626 Maybridge4_002354 CCOC(=O)CSc1sc(C(=O)OCC)c-2c1S(=O)(=O)N(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K23 mock treatment 0.13 0.11837 0.617 0.103 0.08273 0.4597 -0.032 -0.05438 -0.3075 0.4441 0.536 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 K24 mock treatment 0.084 0.072374 0.3772 -0.024 -0.04427 -0.246 0.102 0.07962 0.4503 0.3357 0.5272 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L01 compound treatment -0.073 -0.084626 -0.4411 -0.154 -0.17427 -0.9684 -0.04 -0.06238 -0.3528 -1.0175 -0.9076 3064121 Maybridge4_002355 CSc1sc(c2ccn(n2)C(=O)Nc3ccccc3)c4CC(C)(C)CC(=O)c14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L02 compound treatment 0.208 0.19637 1.0236 -0.285 -0.30527 -1.6964 0.051 0.02862 0.1619 -0.295 -0.1484 3178664 Maybridge4_002356 CS(=O)(=N/C=C(\C#N)/S(=O)(=O)c1ccc(cn1)C(F)(F)F)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L03 compound treatment -0.102 -0.11363 -0.5922 -0.058 -0.07827 -0.435 -0.167 -0.18938 -1.071 -1.2114 -0.9327 3064122 Maybridge4_002357 CSc1sc(C#N)c(C)c1C(=O)/C=C/N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L04 compound treatment -0.078 -0.089626 -0.4671 0.135 0.11473 0.6376 0.058 0.03562 0.2014 0.2147 0.2632 3178665 Maybridge4_002358 CCOC(=O)c1sc(SCCS(=O)(=O)c2ccc(Cl)cc2)c3C(=O)CCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L05 compound treatment -0.028 -0.039626 -0.2065 -0.018 -0.03827 -0.2127 0.124 0.10162 0.5747 0.0898 0.1388 1438715 Maybridge4_002359 Cc1c(C=C)c(sc1C(=O)Oc2ccccc2)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L06 compound treatment 0.021 0.0093745 0.0489 -0.042 -0.06227 -0.346 -0.11 -0.13238 -0.7486 -0.6038 -0.7308 3178666 Maybridge4_002360 CC1(C)CC(=O)c2c(SCCOC(=O)c3ccccc3Cl)sc(C#N)c2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L07 compound treatment 0.088 0.076374 0.3981 -0.487 -0.50727 -2.819 0.378 0.35562 2.0111 -0.2366 -0.0679 3064123 Maybridge4_002361 Cc1nn(Cc2nc(cs2)C(C)(C)C)c(C)c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L08 compound treatment -0.066 -0.077626 -0.4046 0.229 0.20873 1.1599 0.111 0.08862 0.5012 0.7254 0.5468 1009905 Maybridge4_002362 CC(=O)Nc1ccc(Br)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L09 compound treatment -0.131 -0.14263 -0.7434 0.106 0.08573 0.4764 0.146 0.12362 0.6991 0.2495 0.2215 3178667 Maybridge4_002363 CSc1sc(c2CCCC(=O)c12)c3ccnc(SCC(=O)c4ccc(Cl)cc4)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L10 compound treatment 1.224 1.2124 5.708 1.0 0.97973 5.4445 0.983 0.96062 5.4325 9.5754 0.9997 3064124 Maybridge4_002364 O=S1(=O)CC=C(C1)Sc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L11 compound treatment -0.085 -0.096626 -0.5036 0.376 0.35573 1.9768 0.0 -0.02238 -0.1266 0.7775 0.3804 3178668 Maybridge4_002365 Cc1cc(C)n(CCS(=O)(=O)c2ccc(Cl)cc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L12 compound treatment 0.053 0.041374 0.2157 0.039 0.01873 0.1041 0.087 0.06462 0.3654 0.3956 0.9054 3064125 Maybridge4_002366 Clc1ccc(cc1)C(=O)Nc2cc(cs2)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L13 compound treatment 0.02 0.0083745 0.0436 -0.252 -0.27227 -1.513 0.156 0.13362 0.7556 -0.4121 -0.2436 3178669 Maybridge4_002367 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)NCc4ccccc4)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L14 compound treatment 0.077 0.065374 0.3407 0.171 0.15073 0.8376 0.143 0.12062 0.6821 1.0742 0.9483 1344584 Maybridge4_002368 COC(=O)c1c(C)n2CSCc2c1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L15 compound treatment 0.02 0.0083745 0.0436 0.013 -0.00727 -0.0404 0.201 0.17862 1.0101 0.5851 0.5782 3178670 Maybridge4_002369 CN(C)/C=C/C(=O)c1ccsc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L16 compound treatment -0.012 -0.023626 -0.1231 0.06 0.03973 0.2208 -0.084 -0.10638 -0.6016 -0.291 -0.4459 1542795 Maybridge4_002370 CCCCc1ccc(NC(=O)N=S2CCN(CC2)C(=O)c3ccc(Cl)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L17 compound treatment -0.036 -0.047626 -0.2482 -0.061 -0.08127 -0.4516 -0.12 -0.14238 -0.8052 -0.8689 -0.9089 1463535 Maybridge4_002371 CN1c2sc(C)c(C)c2C(=C(C(=O)Nc3ccc(Cl)cc3)S1(=O)=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L18 compound treatment -0.149 -0.16063 -0.8372 -0.056 -0.07627 -0.4238 0.22 0.19762 1.1176 -0.0828 -0.0568 1537505 Maybridge4_002372 Cc1occc1C(=O)C(=C(NCc2cccnc2)NCc3cccnc3)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L19 compound treatment -0.158 -0.16963 -0.8841 -0.079 -0.09927 -0.5517 -0.13 -0.15238 -0.8617 -1.3265 -0.9809 3064207 Maybridge4_002373 CS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L20 compound treatment 0.068 0.056374 0.2938 -0.106 -0.12627 -0.7017 -0.045 -0.06738 -0.381 -0.4555 -0.5353 3064208 Maybridge4_002374 FC(F)(F)c1ccc(SC(=O)c2csc(n2)C3COc4ccccc4O3)nc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L21 compound treatment 0.025 0.013374 0.0697 -0.075 -0.09527 -0.5294 0.069 0.04662 0.2636 -0.1132 -0.1901 3064209 Maybridge4_002375 CN(C)/C=N/C(=O)c1sc(c2C=CCCc12)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L22 compound treatment 0.115 0.10337 0.5388 0.038 0.01773 0.0985 0.107 0.08462 0.4785 0.6443 0.8858 1320320 Maybridge4_002376 O=C(C1Cc2ccccc2C1)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L23 mock treatment -0.019 -0.030626 -0.1596 -0.013 -0.03327 -0.1849 -0.087 -0.10938 -0.6186 -0.556 -0.8361 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 L24 mock treatment 0.129 0.11737 0.6118 0.028 0.00773 0.043 0.056 0.03362 0.1901 0.4878 0.7597 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M01 compound treatment -0.014 -0.025626 -0.1336 0.101 0.08073 0.4486 -0.035 -0.05738 -0.3245 -0.0054 -0.0096 3064210 Maybridge4_002377 OC(=O)c1ccc2ccccc2c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M02 compound treatment -0.095 -0.10663 -0.5558 0.066 0.04573 0.2541 -0.058 -0.08038 -0.4546 -0.4366 -0.5732 3064211 Maybridge4_002378 Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc2cccc(Cl)c2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M03 compound treatment -0.035 -0.046626 -0.243 -0.022 -0.04227 -0.2349 -0.057 -0.07938 -0.4489 -0.5351 -0.9523 3178671 Maybridge4_002379 COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M04 compound treatment 0.038 0.026374 0.1375 -0.012 -0.03227 -0.1793 -0.04 -0.06238 -0.3528 -0.2278 -0.5439 3178672 Maybridge4_002380 CCOC(=O)/C(=C\Nc1ccc(F)c(Cl)c1)/S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M05 compound treatment 0.267 0.25537 1.3311 0.209 0.18873 1.0488 -0.229 -0.25138 -1.4216 0.5533 0.2501 3064212 Maybridge4_002381 Clc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M06 compound treatment 0.014 0.0023745 0.0124 0.152 0.13173 0.732 -0.016 -0.03838 -0.217 0.3045 0.3987 3064213 Maybridge4_002382 NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M07 compound treatment -0.05 -0.061626 -0.3212 -0.043 -0.06327 -0.3516 0.079 0.05662 0.3202 -0.2036 -0.3548 3178673 Maybridge4_002383 Cc1cc(C)cc(NC(=S)Nc2cc(C)cc(C)c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M08 compound treatment 0.044 0.032374 0.1687 0.11 0.08973 0.4986 0.155 0.13262 0.75 0.8183 0.8931 3178674 Maybridge4_002384 Clc1ccc(SCC(=O)Nc2cscc2S(=O)(=O)c3ccc(Cl)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M09 compound treatment -0.047 -0.058626 -0.3056 -0.094 -0.11427 -0.635 0.021 -0.0013798 -0.0078 -0.5476 -0.7769 1165743 Maybridge4_002385 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M10 compound treatment -0.02 -0.031626 -0.1648 0.299 0.27873 1.5489 0.346 0.32362 1.8301 1.8557 0.7722 3178675 Maybridge4_002386 Clc1ccccc1NC(=S)Nc2cscc2S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M11 compound treatment 0.0 -0.011626 -0.0606 -0.046 -0.06627 -0.3683 0.046 0.02362 0.1336 -0.1705 -0.4301 1302916 Maybridge4_002387 CC(C)(C)n1nc(cc1NC(=O)Nc2ccccc2)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M12 compound treatment 0.042 0.030374 0.1583 0.014 -0.00627 -0.0348 0.036 0.01362 0.077 0.1158 0.645 3178676 Maybridge4_002388 COC(=O)c1sc(SC)c(c1C)c2ccn(n2)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M13 compound treatment -0.029 -0.040626 -0.2117 -0.007 -0.02727 -0.1515 -0.12 -0.14238 -0.8052 -0.6746 -0.7972 3064215 Maybridge4_002389 COc1c(Cl)scc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M14 compound treatment -0.222 -0.23363 -1.2177 -0.014 -0.03427 -0.1904 -0.396 -0.41838 -2.366 -2.179 -0.8168 3178677 Maybridge4_002390 CC(C)S(=O)(=O)c1csc(C(=O)NN)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M15 compound treatment 0.134 0.12237 0.6378 0.168 0.14773 0.821 -0.034 -0.05638 -0.3188 0.6582 0.6053 1619049 Maybridge4_002391 CC(C)(C)c1ccc(cc1)c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M16 compound treatment 0.222 0.21037 1.0965 0.019 -0.00127 -0.0071 0.092 0.06962 0.3937 0.8563 0.735 3178678 Maybridge4_002392 CSc1sc(C(=O)O)c(I)c1S(=O)(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M17 compound treatment -0.167 -0.17863 -0.931 -0.08 -0.10027 -0.5572 0.018 -0.0043798 -0.0248 -0.8735 -0.8049 3178679 Maybridge4_002393 CC(C)(C)c1ccc(cc1)C(=O)C(=C2SCCCS2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M18 compound treatment 0.077 0.065374 0.3407 7.973 7.9527 10.6012 0.13 0.10762 0.6086 6.6687 0.6277 3064216 Maybridge4_002394 CS(=O)(=NC(=O)Nc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M19 compound treatment 0.007 -0.0046255 -0.0241 0.109 0.08873 0.4931 -0.043 -0.06538 -0.3697 0.0573 0.0929 3178680 Maybridge4_002395 CSc1nc2cc(C)nn2c(c1C#N)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M20 compound treatment 0.031 0.019374 0.101 -0.068 -0.08827 -0.4905 -0.108 -0.13038 -0.7373 -0.6506 -0.7299 1447748 Maybridge4_002396 Clc1ccccc1c2csc(CS(=O)(=O)c3cccs3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M21 compound treatment -0.055 -0.066626 -0.3473 -0.032 -0.05227 -0.2905 0.074 0.05162 0.2919 -0.1997 -0.3706 3178681 Maybridge4_002397 CSc1nc(N)n2nc(cc2n1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M22 compound treatment -0.182 -0.19363 -1.0092 -0.094 -0.11427 -0.635 -0.184 -0.20638 -1.1671 -1.6231 -0.9728 3178753 Maybridge4_002398 CN(C)/C=C/C(=O)c1sc(SCc2ccc(Cl)cc2)c3C(=O)CC(C)(C)Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M23 mock treatment 0.025 0.013374 0.0697 0.229 0.20873 1.1599 0.013 -0.0093798 -0.053 0.6793 0.584 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 M24 mock treatment 0.073 0.061374 0.3199 0.055 0.03473 0.193 0.273 0.25062 1.4173 1.1144 0.7603 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N01 compound treatment -0.123 -0.13463 -0.7017 -0.013 -0.03327 -0.1849 0.033 0.01062 0.0601 -0.4772 -0.6554 3064217 Maybridge4_002399 CCOC(=O)c1sc2sc(C(=O)OCC)c(c3ccc(Cl)cc3)c2c1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N02 compound treatment -0.065 -0.076626 -0.3994 -0.029 -0.04927 -0.2738 0.094 0.07162 0.405 -0.1548 -0.2453 3064244 Maybridge4_002400 CCOC(=O)NS(=O)(=O)c1ccc(s1)c2cc(n(C)n2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N03 compound treatment 0.034 0.022374 0.1166 0.269 0.24873 1.3822 -0.014 -0.03638 -0.2057 0.7466 0.5324 3064245 Maybridge4_002401 CSc1scc2CC(C)(C)CC(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N04 compound treatment -0.146 -0.15763 -0.8216 0.138 0.11773 0.6542 -0.168 -0.19038 -1.0766 -0.7182 -0.4775 3064246 Maybridge4_002402 CC1(C)CCc2cc(ccc2O1)C3SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N05 compound treatment -0.037 -0.048626 -0.2534 0.06 0.03973 0.2208 1.54 1.5176 6.8287 3.9237 0.5739 3064248 Maybridge4_002403 Cc1nn(CC(=S)N)c(C)c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N06 compound treatment 0.007 -0.0046255 -0.0241 0.073 0.05273 0.293 0.108 0.08562 0.4842 0.4348 0.7676 1138975 Maybridge4_002404 CC(C)S(=O)(=O)c1cscc1N2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N07 compound treatment 0.094 0.082374 0.4294 0.067 0.04673 0.2597 0.125 0.10262 0.5803 0.7329 0.9553 3064249 Maybridge4_002405 Fc1cccc(NC(=S)N(CCS(=O)(=O)c2ccc(Cl)cc2)Cc3cccs3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N08 compound treatment 0.197 0.18537 0.9662 0.192 0.17173 0.9543 -0.135 -0.15738 -0.89 0.595 0.3664 3064250 Maybridge4_002406 Clc1ccc(C(=O)C2C(=O)CCC(C2=O)c3ccccc3)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N09 compound treatment -0.019 -0.030626 -0.1596 -0.018 -0.03827 -0.2127 -0.031 -0.05338 -0.3019 -0.3892 -0.9675 3064251 Maybridge4_002407 CSc1sc(c2CC(C)(C)CC(=O)c12)c3ccnc(SCC(=O)C(C)(C)C)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N10 compound treatment -0.057 -0.068626 -0.3577 0.309 0.28873 1.6045 0.579 0.55662 3.1478 2.5372 0.7145 1318871 Maybridge4_002408 Cn1ccnc1SCCS(=O)(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N11 compound treatment -0.117 -0.12863 -0.6704 -0.065 -0.08527 -0.4739 0.036 0.01362 0.077 -0.6162 -0.7473 1250473 Maybridge4_002409 CCOC(=O)c1sc(SCc2ccccc2)c3c1-c4sccc4N(C)S3(=O)=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N12 compound treatment -0.105 -0.11663 -0.6079 -0.074 -0.09427 -0.5239 0.013 -0.0093798 -0.053 -0.684 -0.8506 3064253 Maybridge4_002410 FC(F)(F)c1cc(cc(c1)S(=O)(=O)/N=S\2/CCC3(C2)OCCO3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N13 compound treatment 0.087 0.075374 0.3929 -0.072 -0.09227 -0.5128 0.047 0.02462 0.1392 0.0112 0.0169 1662782 Maybridge4_002411 CSc1sc(c2nc(cs2)C(C)(C)C)c3CCCC(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N14 compound treatment -0.073 -0.084626 -0.4411 -0.007 -0.02727 -0.1515 0.134 0.11162 0.6312 0.0223 0.0284 1607185 Maybridge4_002412 Clc1ccc(cc1)C(=O)N=S2CCN(CC2)C(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N15 compound treatment -0.053 -0.064626 -0.3368 0.0 -0.02027 -0.1126 -0.189 -0.21138 -1.1954 -0.9497 -0.7615 3178754 Maybridge4_002413 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)c3cccc(c3)C(F)(F)F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N16 compound treatment -0.093 -0.10463 -0.5453 -0.113 -0.13327 -0.7406 -0.016 -0.03838 -0.217 -0.8677 -0.9183 1495489 Maybridge4_002414 Clc1ccc(OC(=O)c2cccnc2SCCS(=O)(=O)c3ccccc3)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N17 compound treatment 2.275 2.2634 7.37 1.819 1.7987 7.2016 -0.535 -0.55738 -3.1521 6.5931 0.6118 3178755 Maybridge4_002415 CSc1sc(C(=O)NN)c2CCC=Cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N18 compound treatment -0.013 -0.024626 -0.1284 -0.027 -0.04727 -0.2627 0.196 0.17362 0.9819 0.3411 0.333 3178756 Maybridge4_002416 CS(=O)(=NS(=O)(=O)c1cccs1)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N19 compound treatment 0.027 0.015374 0.0801 -0.023 -0.04327 -0.2405 0.225 0.20262 1.1459 0.569 0.4849 3064254 Maybridge4_002417 CS(=O)(=O)/C(=C/Nc1cnccn1)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N20 compound treatment -0.02 -0.031626 -0.1648 -0.146 -0.16627 -0.924 -0.116 -0.13838 -0.7826 -1.0804 -0.8841 1627111 Maybridge4_002418 O=C(SCc1cccs1)c2csc(n2)C3COc4ccccc4O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N21 compound treatment 0.0 -0.011626 -0.0606 -0.145 -0.16527 -0.9184 0.0 -0.02238 -0.1266 -0.6383 -0.687 3064255 Maybridge4_002419 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CCN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N22 compound treatment 0.025 0.013374 0.0697 -0.235 -0.25527 -1.4186 -0.173 -0.19538 -1.1049 -1.4167 -0.7873 3178757 Maybridge4_002420 Clc1ccc(cc1)c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N23 mock treatment -0.019 -0.030626 -0.1596 0.258 0.23773 1.3211 -0.006 -0.02838 -0.1605 0.5779 0.4312 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 N24 mock treatment 0.018 0.0063745 0.0332 0.006 -0.01427 -0.0793 0.019 -0.0033798 -0.0191 -0.0376 -0.4273 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O01 compound treatment -0.138 -0.14963 -0.7799 0.025 0.00473 0.0263 0.093 0.07062 0.3994 -0.2045 -0.2333 1259648 Maybridge4_002421 COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C3(CC4CC5CC(C4)C3)C5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O02 compound treatment -0.108 -0.11963 -0.6235 0.076 0.05573 0.3097 0.046 0.02362 0.1336 -0.1041 -0.1468 3064256 Maybridge4_002422 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)c2ccccn2)cc(c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O03 compound treatment -0.006 -0.017626 -0.0919 -0.036 -0.05627 -0.3127 -0.39 -0.41238 -2.3321 -1.58 -0.671 1743228 Maybridge4_002423 Cc1ccc(Nc2cc(O)nn2C)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O04 compound treatment 0.012 3.7448E-4 0.002 0.096 0.07573 0.4208 0.362 0.33962 1.9206 1.353 0.6881 3064257 Maybridge4_002424 CCn1c(S)nc2ccccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O05 compound treatment -0.153 -0.16463 -0.8581 -0.253 -0.27327 -1.5186 -0.25 -0.27238 -1.5404 -2.2615 -0.9718 3178758 Maybridge4_002425 Cc1c(C)c(C)c(CSc2ccccc2N)c(C)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O06 compound treatment 0.066 0.054374 0.2834 -0.044 -0.06427 -0.3572 -0.077 -0.09938 -0.562 -0.3671 -0.5072 3064258 Maybridge4_002426 CS/C(=C(\C#N)/C(=O)C1CC1)/N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O07 compound treatment -0.024 -0.035626 -0.1857 -0.043 -0.06327 -0.3516 0.098 0.07562 0.4276 -0.0633 -0.1084 1286597 Maybridge4_002427 O=S(=O)(CCN1CCSCC1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O08 compound treatment 0.029 0.017374 0.0906 0.087 0.06673 0.3708 -0.055 -0.07738 -0.4376 0.0137 0.0237 3064259 Maybridge4_002428 Clc1ccccc1C(=O)Nc2cscc2S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O09 compound treatment 0.091 0.079374 0.4137 0.1 0.07973 0.4431 -0.018 -0.04038 -0.2284 0.3628 0.5601 3178759 Maybridge4_002429 O=S(=O)(CCSc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O10 compound treatment -0.081 -0.092626 -0.4828 0.107 0.08673 0.482 0.032 0.0096202 0.0544 0.0309 0.0452 1558086 Maybridge4_002430 COC(=O)C1=C(CSC1)Nc2ccc(F)cc2F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O11 compound treatment 0.006 -0.0056255 -0.0293 -0.076 -0.09627 -0.535 -0.032 -0.05438 -0.3075 -0.5034 -0.8148 3064260 Maybridge4_002431 Cc1cc(C)n2nc(cc2n1)c3ccc(cc3)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O12 compound treatment 0.006 -0.0056255 -0.0293 -0.012 -0.03227 -0.1793 0.119 0.09662 0.5464 0.195 0.3386 3178760 Maybridge4_002432 CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O13 compound treatment 0.033 0.021374 0.1114 0.084 0.06373 0.3542 -0.052 -0.07438 -0.4206 0.0259 0.0462 3064262 Maybridge4_002433 Clc1ccc(cc1)S(=O)(=O)/C(=C/N2CCCCC2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O14 compound treatment -0.04 -0.051626 -0.2691 0.019 -0.00127 -0.0071 -0.087 -0.10938 -0.6186 -0.5166 -0.7657 3178761 Maybridge4_002434 Fc1ccc(NC(=O)c2cccnc2Sc3cccs3)c(F)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O15 compound treatment -0.142 -0.15363 -0.8007 -0.309 -0.32927 -1.8298 -0.135 -0.15738 -0.89 -2.0326 -0.9295 3064263 Maybridge4_002435 Nc1nc(Sc2ccc(Cl)cc2)c(C#N)c(c1C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O16 compound treatment 0.119 0.10737 0.5597 0.024 0.00373 0.0207 -0.038 -0.06038 -0.3415 0.1379 0.2103 3178762 Maybridge4_002436 CSc1scc(c1C#N)c2cc(Cl)cc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O17 compound treatment -0.239 -0.25063 -1.3063 -0.277 -0.29727 -1.652 0.047 0.02462 0.1392 -1.6276 -0.7711 3064280 Maybridge4_002437 O=C(C(=C1SCCCS1)C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O18 compound treatment 0.029 0.017374 0.0906 0.099 0.07873 0.4375 -0.124 -0.14638 -0.8278 -0.173 -0.184 3064281 Maybridge4_002438 CN(/N=C(\C#N)/C(=O)C1CC1)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O19 compound treatment -0.138 -0.14963 -0.7799 0.169 0.14873 0.8265 -0.307 -0.32938 -1.8627 -1.0485 -0.4805 1358615 Maybridge4_002439 COCc1cc(OC(=O)N(C)C)nc2n(C)nc(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O20 compound treatment -0.057 -0.068626 -0.3577 0.168 0.14773 0.821 -0.061 -0.08338 -0.4715 -0.0048 -0.0047 1379175 Maybridge4_002440 Cn1ccc(n1)c2cccc(NC(=O)Nc3ccccc3)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O21 compound treatment 0.036 0.024374 0.127 -0.07 -0.09027 -0.5016 -0.124 -0.14638 -0.8278 -0.6942 -0.7111 3064282 Maybridge4_002441 CSc1c(C#N)c(nn1CNC(=O)Nc2ccccc2C(F)(F)F)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O22 compound treatment 0.639 0.62737 3.27 0.193 0.17273 0.9599 0.158 0.13562 0.767 2.8849 0.8259 3064283 Maybridge4_002442 CCOC(=O)c1sc(SCc2c(Cl)cccc2Cl)c(c1N)S(=O)(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O23 mock treatment -0.075 -0.086626 -0.4515 0.012 -0.00827 -0.046 0.019 -0.0033798 -0.0191 -0.2982 -0.6566 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 O24 mock treatment -0.006 -0.017626 -0.0919 0.127 0.10673 0.5931 -0.006 -0.02838 -0.1605 0.1967 0.3167 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P01 compound treatment 0.04 0.028374 0.1479 0.026 0.00573 0.0318 0.236 0.21362 1.2081 0.8012 0.6581 3064285 Maybridge4_002443 Nc1c(C#N)sc2sc(C#N)c(c3ccco3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P02 compound treatment 0.137 0.12537 0.6535 0.207 0.18673 1.0377 0.082 0.05962 0.3372 1.1711 0.9208 3064286 Maybridge4_002444 CC(C)(C)c1ncc(c(N)n1)S(=O)(=O)c2ccc(cn2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P03 compound treatment -0.123 -0.13463 -0.7017 0.158 0.13773 0.7654 0.113 0.09062 0.5125 0.3326 0.2873 3178763 Maybridge4_002445 CCOC(=O)c1sc(SC)c2C(=O)CC(Cc12)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P04 compound treatment 0.153 0.14137 0.7369 0.034 0.01373 0.0763 -0.126 -0.14838 -0.8391 -0.015 -0.0134 3178764 Maybridge4_002446 CCOC(=O)c1sc(Sc2ccc(cn2)C(F)(F)F)c3C(=O)CC(C)(C)Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P05 compound treatment 0.044 0.032374 0.1687 -0.04 -0.06027 -0.3349 0.189 0.16662 0.9423 0.4481 0.4418 1299033 Maybridge4_002447 CS(=O)(=O)c1sc(C(=O)O)c2CCC=Cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P06 compound treatment -0.099 -0.11063 -0.5766 -0.031 -0.05127 -0.2849 0.067 0.04462 0.2523 -0.3517 -0.5091 1436320 Maybridge4_002448 Cc1cc(C)n(n1)c2ncc(c(N)n2)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P07 compound treatment -0.222 -0.23363 -1.2177 0.031 0.01073 0.0596 -0.143 -0.16538 -0.9353 -1.2086 -0.7865 3178765 Maybridge4_002449 CSc1scc2CCc3cn(nc3-c12)C(=O)c4cccc(c4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P08 compound treatment 0.299 0.28737 1.4979 -0.047 -0.06727 -0.3738 -0.056 -0.07838 -0.4433 0.393 0.2447 3178766 Maybridge4_002450 CS(=O)(=NC(=O)NC(=O)c1ccc(Cl)cc1)c2ccc(cn2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P09 compound treatment -0.089 -0.10063 -0.5245 -0.057 -0.07727 -0.4294 0.145 0.12262 0.6934 -0.1504 -0.1551 3064288 Maybridge4_002451 O=S(=O)(N1CCCCC1)c2ccc(s2)c3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P10 compound treatment -0.072 -0.083626 -0.4359 0.823 0.80273 4.4609 0.699 0.67662 3.8264 4.533 0.7692 3064289 Maybridge4_002452 COC(=O)c1cnc(S)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P11 compound treatment 0.263 0.25137 1.3102 0.09 0.06973 0.3875 -0.034 -0.05638 -0.3188 0.7961 0.5674 3178767 Maybridge4_002453 FC(F)(F)c1cc(NC(=S)NC(=O)Oc2ccccc2)cc(c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P12 compound treatment 0.048 0.036374 0.1896 0.494 0.47373 2.6326 0.484 0.46162 2.6105 3.1366 0.8449 3064290 Maybridge4_002454 Cc1ccc(SCC(=O)c2ccc(CC(=O)O)s2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P13 compound treatment -0.053 -0.064626 -0.3368 0.358 0.33773 1.8768 -0.033 -0.05538 -0.3132 0.7083 0.3665 3178768 Maybridge4_002455 CS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P14 compound treatment -0.034 -0.045626 -0.2378 0.121 0.10073 0.5598 -0.085 -0.10738 -0.6073 -0.1647 -0.1916 3064291 Maybridge4_002456 CN(C)/C=C/C(=O)c1ccc2OCCc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P15 compound treatment 0.026 0.014374 0.0749 0.012 -0.00827 -0.046 -0.052 -0.07438 -0.4206 -0.2261 -0.5262 3178769 Maybridge4_002457 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCc4c(Cl)cccc4Cl)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P16 compound treatment -0.013 -0.024626 -0.1284 0.006 -0.01427 -0.0793 -0.102 -0.12438 -0.7034 -0.526 -0.7312 3064292 Maybridge4_002458 CS(=O)(=O)CCSc1ncccc1C(=O)NCc2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P17 compound treatment 0.064 0.052374 0.273 0.039 0.01873 0.1041 -0.173 -0.19538 -1.1049 -0.4202 -0.3677 1476633 Maybridge4_002459 CCOC(=O)c1sc(N2CCCCC2)c3C(=O)CC(C)(C)Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P18 compound treatment -0.192 -0.20363 -1.0613 0.0 -0.02027 -0.1126 -0.045 -0.06738 -0.381 -0.8978 -0.7922 3064293 Maybridge4_002460 OC(=O)C1Cc2ccccc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P19 compound treatment 0.013 0.0013745 0.0072 -0.038 -0.05827 -0.3238 0.216 0.19362 1.095 0.4494 0.3935 3178770 Maybridge4_002461 FC(F)(F)c1ccc(nc1)S(=O)(=O)/C(=C/Nc2cnccn2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P20 compound treatment 0.21 0.19837 1.034 -0.081 -0.10127 -0.5628 0.088 0.06562 0.3711 0.4863 0.394 1356891 Maybridge4_002462 CCOC(=O)CC1Sc2ccccc2N=C1SCC(=O)Nc3ccc(Cl)cc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P21 compound treatment 0.143 0.13137 0.6848 -0.011 -0.03127 -0.1738 0.042 0.01962 0.111 0.3591 0.5021 3064294 Maybridge4_002463 Clc1ccc(Sc2ccc(s2)c3ccccn3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P22 compound treatment 0.434 0.42237 2.2015 0.151 0.13073 0.7265 0.164 0.14162 0.8009 2.1529 0.8777 1623679 Maybridge4_002464 Cc1ccc(NC(=O)c2ccc3OCCc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P23 mock treatment -0.014 -0.025626 -0.1336 -0.056 -0.07627 -0.4238 -0.022 -0.04438 -0.251 -0.4667 -0.9145 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2055 P24 mock treatment -0.202 -0.21363 -1.1135 0.047 0.02673 0.1485 0.0 -0.02238 -0.1266 -0.6302 -0.5575 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A01 compound treatment 0.18 0.16837 0.8776 -0.015 -0.03527 -0.196 0.107 0.08462 0.4785 0.6698 0.6576 1360118 TimTec1_000001 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccncc4)C(=O)OC5CCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A02 compound treatment -0.02 -0.031626 -0.1648 -0.243 -0.26327 -1.463 -0.126 -0.14838 -0.8391 -1.4243 -0.8405 1352805 TimTec1_000002 CCOC(=O)c1cc2ccccc2oc1=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A03 compound treatment 0.117 0.10537 0.5492 0.007 -0.01327 -0.0737 -0.159 -0.18138 -1.0257 -0.3177 -0.2725 1269647 TimTec1_000003 CN1C2CCC1CC(C2)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A04 compound treatment 0.113 0.10137 0.5284 0.051 0.03073 0.1708 0.091 0.06862 0.3881 0.6277 0.9266 1717432 TimTec1_000004 NC1=C(C#N)C2=C(CCCC2)C(c3ccccc3)C1(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A05 compound treatment 0.024 0.012374 0.0645 0.039 0.01873 0.1041 0.003 -0.01938 -0.1096 0.0341 0.2072 1640292 TimTec1_000005 CC1C2CC(C(C2=O)S(=O)(=O)N3CCOCC3)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A06 compound treatment 0.033 0.021374 0.1114 0.108 0.08773 0.4875 0.092 0.06962 0.3937 0.5731 0.9004 1432692 TimTec1_000006 CC(=C)C[N+](C)(C)Cc1c(C)ccc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A07 compound treatment -0.044 -0.055626 -0.2899 -0.09 -0.11027 -0.6128 -0.084 -0.10638 -0.6016 -0.8685 -0.9582 3209477 TimTec1_000007 O=C1N(CSc2nc3ccccc3s2)C(=O)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A08 compound treatment 0.065 0.053374 0.2782 -0.019 -0.03927 -0.2182 0.076 0.05362 0.3032 0.2097 0.4502 1665724 TimTec1_000008 CC1(C)CC(=C(C(C2C(=O)CC(C)(C)CC2=O)c3ccccc3)C(=O)C1)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A09 compound treatment 0.769 0.75737 3.9476 0.639 0.61873 3.4384 0.238 0.21562 1.2194 4.9683 0.9243 1568897 TimTec1_000009 CCOC(=O)c1ccc(NC(=O)NC2OC(CO)C(O)C(O)C2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A10 compound treatment -0.039 -0.050626 -0.2639 -0.145 -0.16527 -0.9184 -0.006 -0.02838 -0.1605 -0.7753 -0.8001 3082080 TimTec1_000010 Cc1cc[n+](Cc2ccccn2)c(N)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A11 compound treatment 0.148 0.13637 0.7108 0.019 -0.00127 -0.0071 0.131 0.10862 0.6143 0.761 0.81 1782663 TimTec1_000011 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2/C=C/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A12 compound treatment -0.036 -0.047626 -0.2482 -0.147 -0.16727 -0.9295 -0.047 -0.06938 -0.3924 -0.9065 -0.8725 3082082 TimTec1_000012 CCCC1CCCCCC1NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A13 compound treatment 0.221 0.20937 1.0913 0.022 0.00173 0.0096 0.145 0.12262 0.6934 1.036 0.8012 3508726 TimTec1_000013 CCC(=O)NC1CC(CC=C1C)C(C)(C)NC(=O)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A14 compound treatment -0.033 -0.044626 -0.2326 -0.036 -0.05627 -0.3127 0.007 -0.01538 -0.087 -0.365 -0.9142 3209587 TimTec1_000014 OC(=O)CCC(=O)N=S(c1ccccc1)c2ccccc2.Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A15 compound treatment 0.119 0.10737 0.5597 0.097 0.07673 0.4264 0.046 0.02362 0.1336 0.6464 0.9026 1459520 TimTec1_000015 COc1ccccc1c2nnc(N)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A16 compound treatment 0.006 -0.0056255 -0.0293 0.114 0.09373 0.5209 -0.007 -0.02938 -0.1661 0.1879 0.3431 3082084 TimTec1_000016 Cc1[nH]c2ccccc2c1Sc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A17 compound treatment 0.057 0.045374 0.2365 0.025 0.00473 0.0263 -0.075 -0.09738 -0.5507 -0.1662 -0.2771 1172294 TimTec1_000017 Cc1cc(C)c(NC(=O)CCNC2CCCCC2)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A18 compound treatment 0.127 0.11537 0.6014 0.054 0.03373 0.1874 0.019 -0.0033798 -0.0191 0.4444 0.7052 1183562 TimTec1_000018 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4ccc(O)cc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A19 compound treatment 0.077 0.065374 0.3407 -0.058 -0.07827 -0.435 0.77 0.74762 4.2279 2.3866 0.5597 1230606 TimTec1_000019 CCN1CCN(CC1)c2ccc(NC(=O)c3cccc(Br)c3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A20 compound treatment 0.024 0.012374 0.0645 0.224 0.20373 1.1322 -0.052 -0.07438 -0.4206 0.448 0.3704 1045901 TimTec1_000020 COC(=O)c1cc2ccccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A21 compound treatment 0.31 0.29837 1.5552 0.088 0.06773 0.3764 0.404 0.38162 2.1581 2.3612 0.8789 3209588 TimTec1_000021 CSc1ccc(/C=N/n2nnnc2Nc3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A22 compound treatment 0.166 0.15437 0.8046 0.161 0.14073 0.7821 0.15 0.12762 0.7217 1.3328 0.999 3082088 TimTec1_000022 OC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A23 mock treatment 0.143 0.13137 0.6848 0.067 0.04673 0.2597 0.216 0.19362 1.095 1.1774 0.8938 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 A24 mock treatment 0.078 0.066374 0.346 0.025 0.00473 0.0263 -0.034 -0.05638 -0.3188 0.0308 0.0654 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B01 compound treatment 0.047 0.035374 0.1844 -0.014 -0.03427 -0.1904 0.125 0.10262 0.5803 0.3316 0.5197 1462495 TimTec1_000023 CSc1c(CC(=O)Nc2ccccc2)n(C)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B02 compound treatment 0.083 0.071374 0.372 0.088 0.06773 0.3764 -0.143 -0.16538 -0.9353 -0.1079 -0.1004 3209589 TimTec1_000024 Nc1c(sc2nc(N)c(C#N)cc12)C(=O)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B03 compound treatment -0.196 -0.20763 -1.0822 -0.297 -0.31727 -1.7631 0.203 0.18062 1.0214 -1.053 -0.4564 1291339 TimTec1_000025 CCOC(=O)c1c(CN2CCOCC2)n(C)c3ccc(O)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B04 compound treatment -0.123 -0.13463 -0.7017 0.114 0.09373 0.5209 0.0 -0.02238 -0.1266 -0.1775 -0.201 1292419 TimTec1_000026 O=C(Oc1ccc(OC(=O)c2ccco2)cc1)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B05 compound treatment -0.391 -0.40263 -2.0986 -0.643 -0.66327 -3.6859 -0.074 -0.09638 -0.545 -3.6544 -0.8546 1346277 TimTec1_000027 O=C(N1CCCCC1)c2ccc(cc2)C(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B06 compound treatment 0.007 -0.0046255 -0.0241 0.069 0.04873 0.2708 -0.095 -0.11738 -0.6638 -0.2408 -0.3357 1037513 TimTec1_000028 O=C1N(C(=O)c2ccccc12)c3nccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B07 compound treatment -0.1 -0.11163 -0.5818 0.109 0.08873 0.4931 -0.043 -0.06538 -0.3697 -0.2647 -0.3123 3209590 TimTec1_000029 Cc1ccc(s1)C(=O)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B08 compound treatment -0.019 -0.030626 -0.1596 -0.019 -0.03927 -0.2182 0.032 0.0096202 0.0544 -0.1867 -0.6771 1598558 TimTec1_000030 O=C(Nc1ccccc1)C(=S)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B09 compound treatment -0.212 -0.22363 -1.1656 0.019 -0.00127 -0.0071 -0.097 -0.11938 -0.6751 -1.0668 -0.792 1166367 TimTec1_000031 CCOC(=O)c1c(CN2CCCCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B10 compound treatment 0.029 0.017374 0.0906 0.02 -2.7002E-4 -0.0015 -0.065 -0.08738 -0.4941 -0.2339 -0.4655 3081103 TimTec1_000032 C/C(=N\C1CC1)/c2c(C)[nH]n(c3nc4ccccc4s3)c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B11 compound treatment -0.125 -0.13663 -0.7121 -0.09 -0.11027 -0.6128 -0.038 -0.06038 -0.3415 -0.9621 -0.9625 1692568 TimTec1_000033 Fc1ccc(cc1)C(=O)CCCN2CCNCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B12 compound treatment -0.018 -0.029626 -0.1544 0.13 0.10973 0.6098 -0.019 -0.04138 -0.234 0.1278 0.1904 3209591 TimTec1_000034 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/N(C)C1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B13 compound treatment 0.054 0.042374 0.2209 -0.083 -0.10327 -0.5739 -0.117 -0.13938 -0.7882 -0.6589 -0.6591 1611433 TimTec1_000035 CC(=O)Oc1ccc2occ(C(=O)c3ccc(Br)s3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B14 compound treatment 0.035 0.023374 0.1218 -0.116 -0.13627 -0.7573 0.106 0.08362 0.4729 -0.0939 -0.1042 1351179 TimTec1_000036 O=C(c1nnn(c1Nc2ccccc2)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B15 compound treatment 0.026 0.014374 0.0749 0.025 0.00473 0.0263 0.134 0.11162 0.6312 0.4229 0.6647 1357665 TimTec1_000037 OC(=O)c1cccc(CN2CCN(CC2)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B16 compound treatment -0.106 -0.11763 -0.6131 0.072 0.05173 0.2875 0.087 0.06462 0.3654 0.023 0.0299 1209399 TimTec1_000038 O=C(NCCc1ccccc1)c2ccc(cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B17 compound treatment -0.051 -0.062626 -0.3264 -0.108 -0.12827 -0.7128 0.0 -0.02238 -0.1266 -0.6731 -0.8475 3209592 TimTec1_000039 CNC(=O)CSCc1ccc(Br)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B18 compound treatment 0.028 0.016374 0.0853 -0.014 -0.03427 -0.1904 0.041 0.01862 0.1053 1.0E-4 5.0E-4 3209593 TimTec1_000040 O=C(Oc1nc2ccccc2s1)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B19 compound treatment 0.026 0.014374 0.0749 0.006 -0.01427 -0.0793 0.056 0.03362 0.1901 0.1072 0.4892 1421610 TimTec1_000041 CN(C(=O)Oc1cccc(c1)C(=O)Nc2ccc(C)c(C)c2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B20 compound treatment 0.052 0.040374 0.2104 0.058 0.03773 0.2097 -0.093 -0.11538 -0.6525 -0.1342 -0.1871 3209594 TimTec1_000042 COC(=O)NC(Nc1cccc(c1)C(F)(F)F)C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B21 compound treatment 0.073 0.061374 0.3199 -0.007 -0.02727 -0.1515 0.032 0.0096202 0.0544 0.1286 0.3591 1920491 TimTec1_000043 COc1ccc2nc(NC(=N)N)nc(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B22 compound treatment -0.097 -0.10863 -0.5662 -0.041 -0.06127 -0.3405 0.013 -0.0093798 -0.053 -0.5541 -0.836 1644751 TimTec1_000044 COc1ccc(cc1)C(=O)Oc2csc(=S)n2C(=O)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B23 mock treatment -0.024 -0.035626 -0.1857 0.017 -0.00327 -0.0182 0.084 0.06162 0.3485 0.0835 0.2112 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 B24 mock treatment 0.012 3.7448E-4 0.002 0.006 -0.01427 -0.0793 -0.046 -0.06838 -0.3867 -0.2679 -0.6787 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C01 compound treatment -0.013 -0.024626 -0.1284 0.0 -0.02027 -0.1126 0.02 -0.0023798 -0.0135 -0.1469 -0.8576 1157703 TimTec1_000045 COc1ccc2C3CC(=Nc4ccccc4N3C(=O)c2c1OC)c5ccc(Br)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C02 compound treatment 0.0 -0.011626 -0.0606 0.103 0.08273 0.4597 -0.013 -0.03538 -0.2001 0.1149 0.2276 3209595 TimTec1_000046 COC(=O)CC1=CC(C)(CC(=O)OC)C(C#N)(C#N)C(=C1C#N)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C03 compound treatment -0.182 -0.19363 -1.0092 -0.158 -0.17827 -0.9907 0.154 0.13162 0.7443 -0.7249 -0.4536 1704164 TimTec1_000047 CCCCN(C1CC2CCC(C1)N2C)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C04 compound treatment -0.062 -0.073626 -0.3838 0.012 -0.00827 -0.046 0.25 0.22762 1.2872 0.4951 0.3684 1258841 TimTec1_000048 O=C1C(=C2CCCCC2C(c3ccco3)C1(C#N)C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C05 compound treatment -0.246 -0.25763 -1.3428 -0.107 -0.12727 -0.7073 0.126 0.10362 0.586 -0.8453 -0.5196 1916777 TimTec1_000049 CC1C/2CC(C(\C2=N\O)S(=O)(=O)N3CCOCC3)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C06 compound treatment 0.192 0.18037 0.9402 -0.048 -0.06827 -0.3794 0.122 0.09962 0.5634 0.649 0.5596 3209596 TimTec1_000050 COC1OC(COC(=O)C)C(OC(=O)C)C(C#N)(C#N)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C07 compound treatment 1.608 1.5964 6.4558 -0.16 -0.18027 -1.0018 0.222 0.19962 1.1289 3.8006 0.5733 1250478 TimTec1_000051 OC(COc1ccc(Nc2ccccc2)cc1)COc3ccc(Nc4ccccc4)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C08 compound treatment 0.215 0.20337 1.06 0.013 -0.00727 -0.0404 0.0 -0.02238 -0.1266 0.5156 0.4826 1606069 TimTec1_000052 CC(C)C(C1C(=O)CC(C)(C)CC1=O)C2=C(O)CC(C)(C)CC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C09 compound treatment -0.173 -0.18463 -0.9623 -0.16 -0.18027 -1.0018 -0.322 -0.34438 -1.9475 -2.2584 -0.9441 3081440 TimTec1_000053 CCNC(=O)c1ccc(Cl)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C10 compound treatment -0.2 -0.21163 -1.103 0.296 0.27573 1.5323 0.322 0.29962 1.6944 1.2261 0.4833 3209597 TimTec1_000054 Cc1cc[n+](CCOc2ccc(N)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C11 compound treatment -0.012 -0.023626 -0.1231 -0.043 -0.06327 -0.3516 -0.026 -0.04838 -0.2736 -0.4321 -0.9347 1677737 TimTec1_000055 CCCCC(=O)N1C(C)CC(Nc2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C12 compound treatment 0.27 0.25837 1.3467 0.329 0.30873 1.7157 0.165 0.14262 0.8065 2.2337 0.9606 3081441 TimTec1_000056 CCOC(=O)CCCc1ccc(/C=C/C(=O)O)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C13 compound treatment -0.02 -0.031626 -0.1648 0.023 0.00273 0.0152 -0.123 -0.14538 -0.8221 -0.5611 -0.669 3081442 TimTec1_000057 COC(=O)c1nsc(Cl)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C14 compound treatment 0.109 0.097374 0.5075 -0.039 -0.05927 -0.3294 0.771 0.74862 4.2336 2.5471 0.5956 1003566 TimTec1_000058 S=C(Nc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C15 compound treatment 0.034 0.022374 0.1166 0.115 0.09473 0.5264 0.007 -0.01538 -0.087 0.3211 0.5878 1060631 TimTec1_000059 COC(=O)C1=NNC(C1)(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C16 compound treatment -0.072 -0.083626 -0.4359 -0.012 -0.03227 -0.1793 0.069 0.04662 0.2636 -0.203 -0.3758 3081443 TimTec1_000060 CN(C)/C=C(\C=[N+](C)C)/c1n[nH]cc1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C17 compound treatment 0.006 -0.0056255 -0.0293 -0.106 -0.12627 -0.7017 0.012 -0.01038 -0.0587 -0.4559 -0.647 1149044 TimTec1_000061 Cc1cc(Cl)c(C(=O)N)c(C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C18 compound treatment 0.105 0.093374 0.4867 0.06 0.03973 0.2208 0.032 0.0096202 0.0544 0.4399 0.8188 1602135 TimTec1_000062 CN1CCc2c(C1)c3cc(C)ccc3n2CCc4ccncc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C19 compound treatment 1.719 1.7074 6.6359 -0.096 -0.11627 -0.6461 1.898 1.8756 7.4436 7.7557 0.7761 3081444 TimTec1_000063 CCN1CCN(CC1)c2ccc(NC(=O)/C=C/c3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C20 compound treatment -0.063 -0.074626 -0.389 0.127 0.10673 0.5931 0.0 -0.02238 -0.1266 0.0448 0.0622 1241763 TimTec1_000064 Oc1ccc2occ(C(=O)c3cccs3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C21 compound treatment 0.098 0.086374 0.4502 0.173 0.15273 0.8487 0.006 -0.01638 -0.0926 0.6965 0.7216 3081445 TimTec1_000065 Nc1nnnn1/N=C\2/C(=O)Nc3ccc(Br)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C22 compound treatment 0.297 0.28537 1.4874 0.032 0.01173 0.0652 -0.028 -0.05038 -0.2849 0.7319 0.4828 1336111 TimTec1_000066 COC(=O)CCc1[nH]c2ccccc2c1Sc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C23 mock treatment -0.075 -0.086626 -0.4515 0.03 0.00973 0.0541 0.0 -0.02238 -0.1266 -0.3025 -0.6409 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 C24 mock treatment 0.124 0.11237 0.5857 0.006 -0.01427 -0.0793 0.101 0.07862 0.4446 0.5491 0.7424 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D01 compound treatment 0.287 0.27537 1.4353 0.571 0.55073 3.0605 -0.141 -0.16338 -0.9239 2.0622 0.5885 1420975 TimTec1_000067 CSc1c(CC(=O)Nc2ccc(C)cc2)[nH]c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D02 compound treatment -0.139 -0.15063 -0.7851 -0.132 -0.15227 -0.8462 0.194 0.17162 0.9705 -0.3815 -0.253 3209598 TimTec1_000068 OC(=O)CCCC=C(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D03 compound treatment -0.039 -0.050626 -0.2639 0.006 -0.01427 -0.0793 -0.044 -0.06638 -0.3754 -0.4149 -0.8909 3209599 TimTec1_000069 Cc1[nH]c2ccccc2c1/C=N/CCc3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D04 compound treatment 0.038 0.026374 0.1375 -0.006 -0.02627 -0.146 0.019 -0.0033798 -0.0191 -0.016 -0.0792 3081446 TimTec1_000070 Brc1ccc(OC(=O)c2ccco2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D05 compound treatment 0.031 0.019374 0.101 0.037 0.01673 0.093 -0.093 -0.11538 -0.6525 -0.2647 -0.397 3081447 TimTec1_000071 CCC(=O)n1c(SC)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D06 compound treatment -0.212 -0.22363 -1.1656 -0.124 -0.14427 -0.8017 0.122 0.09962 0.5634 -0.8106 -0.5323 3209600 TimTec1_000072 Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)cc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D07 compound treatment -0.029 -0.040626 -0.2117 0.108 0.08773 0.4875 -0.144 -0.16638 -0.9409 -0.384 -0.3553 3081448 TimTec1_000073 CCCc1ccc(s1)/C(=N/O)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D08 compound treatment 0.204 0.19237 1.0027 0.06 0.03973 0.2208 0.324 0.30162 1.7057 1.6912 0.8495 3209601 TimTec1_000074 CCOC(=O)CCSc1ccccn1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D09 compound treatment 0.058 0.046374 0.2417 0.056 0.03573 0.1986 -0.094 -0.11638 -0.6581 -0.1258 -0.1726 1380002 TimTec1_000075 CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(OC)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D10 compound treatment -0.018 -0.029626 -0.1544 0.195 0.17473 0.971 0.13 0.10762 0.6086 0.8228 0.7116 3081452 TimTec1_000076 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(Cl)cc4Cl)C(=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D11 compound treatment 0.034 0.022374 0.1166 0.234 0.21373 1.1877 0.212 0.18962 1.0723 1.3722 0.8552 1674072 TimTec1_000077 Cn1c(CC(=O)O)c(c2ccccc12)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D12 compound treatment 0.033 0.021374 0.1114 0.053 0.03273 0.1819 0.121 0.09862 0.5577 0.4913 0.8228 1452087 TimTec1_000078 CCSc1nnc-2c(OC(Nc3ccccc32)C(=O)c4ccccc4)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D13 compound treatment -0.101 -0.11263 -0.587 0.129 0.10873 0.6042 -0.176 -0.19838 -1.1219 -0.6378 -0.4546 1648799 TimTec1_000079 C(CN1CCN(CCSc2ccccc2)CC1)Sc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D14 compound treatment 0.109 0.097374 0.5075 0.077 0.05673 0.3153 -0.006 -0.02838 -0.1605 0.3824 0.6181 1276972 TimTec1_000080 Clc1ccccc1CN(Cc2cccnc2)C(=S)NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D15 compound treatment -0.157 -0.16863 -0.8789 0.158 0.13773 0.7654 0.093 0.07062 0.3994 0.165 0.134 1186617 TimTec1_000081 Cc1c([nH]c2ccc(OCc3ccccc3)cc12)C(=O)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D16 compound treatment 0.083 0.071374 0.372 0.172 0.15173 0.8432 -0.098 -0.12038 -0.6808 0.3086 0.2693 1357113 TimTec1_000082 CC1Oc2ccccc2OC1(O)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D17 compound treatment -0.097 -0.10863 -0.5662 -0.013 -0.03327 -0.1849 0.036 0.01362 0.077 -0.3892 -0.648 3081458 TimTec1_000083 Brc1ccccc1NCn2nc(oc2=S)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D18 compound treatment -0.013 -0.024626 -0.1284 0.038 0.01773 0.0985 0.217 0.19462 1.1006 0.6182 0.5557 3209728 TimTec1_000084 Fc1ccccc1OC(=O)N2c3ccccc3Sc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D19 compound treatment 0.198 0.18637 0.9714 0.043 0.02273 0.1263 0.14 0.11762 0.6652 1.0178 0.8596 1270584 TimTec1_000085 Cc1ccc(cc1)S(=O)(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D20 compound treatment 0.068 0.056374 0.2938 0.224 0.20373 1.1322 0.272 0.24962 1.4116 1.6383 0.8937 3081461 TimTec1_000086 FC(F)(F)c1cccc(c1)c2ccc(/C=N\C3CCS(=O)(=O)C3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D21 compound treatment 0.08 0.068374 0.3564 0.027 0.00673 0.0374 0.026 0.0036202 0.0205 0.2392 0.6664 1450123 TimTec1_000087 CCOC(=O)c1c(C)n(c2cccc(C)c2)c3ccc(O)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D22 compound treatment 0.045 0.033374 0.174 0.107 0.08673 0.482 0.026 0.0036202 0.0205 0.3905 0.7615 3209729 TimTec1_000088 Cc1cccc(c1)C2Sc3ccccc3N=C4C2C(=O)c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D23 mock treatment -0.103 -0.11463 -0.5975 0.061 0.04073 0.2263 -0.005 -0.02738 -0.1548 -0.3037 -0.4619 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 D24 mock treatment 0.06 0.048374 0.2521 0.082 0.06173 0.343 0.059 0.03662 0.2071 0.4632 0.9784 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E01 compound treatment -0.007 -0.018626 -0.0971 0.066 0.04573 0.2541 0.054 0.03162 0.1788 0.1939 0.5956 3209730 TimTec1_000089 CSc1ccccc1NC(=O)c2cc3NC4C(CCc5ccccc45)C(n3n2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E02 compound treatment 0.073 0.061374 0.3199 -0.007 -0.02727 -0.1515 0.0 -0.02238 -0.1266 0.0241 0.0642 3081503 TimTec1_000090 Nc1c(C#N)c(cc(c1C#N)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E03 compound treatment 0.053 0.041374 0.2157 0.043 0.02273 0.1263 -0.044 -0.06638 -0.3754 -0.0193 -0.0428 3081507 TimTec1_000091 Cc1c(Br)c(nn1CC(=O)N2CCOCC2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E04 compound treatment -0.067 -0.078626 -0.4098 0.052 0.03173 0.1763 -0.09 -0.11238 -0.6355 -0.5017 -0.6461 1912602 TimTec1_000092 Brc1cccc(c1)C2C3CCCCC3=C(C#N)C(=O)C2(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E05 compound treatment -0.05 -0.061626 -0.3212 -0.02 -0.04027 -0.2238 0.572 0.54962 3.1082 1.4799 0.4724 3209731 TimTec1_000093 C[N+](C)(C)CC1CCCC1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E06 compound treatment 0.02 0.0083745 0.0436 -0.056 -0.07627 -0.4238 -0.048 -0.07038 -0.398 -0.4493 -0.7706 3081510 TimTec1_000094 [N-]=[N+]=NCc1noc(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E07 compound treatment -0.063 -0.074626 -0.389 0.045 0.02473 0.1374 0.048 0.02562 0.1449 -0.0616 -0.1408 1182023 TimTec1_000095 CCCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E08 compound treatment -0.055 -0.066626 -0.3473 -0.019 -0.03927 -0.2182 0.066 0.04362 0.2467 -0.1841 -0.3846 3081512 TimTec1_000096 O=C(NCC[n+]1ccc2ccccc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E09 compound treatment 0.121 0.10937 0.5701 -0.203 -0.22327 -1.2407 0.132 0.10962 0.6199 -0.0293 -0.0195 1029436 TimTec1_000097 OC(=O)CCC(=O)Oc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E10 compound treatment 0.006 -0.0056255 -0.0293 -0.096 -0.11627 -0.6461 -0.044 -0.06638 -0.3754 -0.6067 -0.8113 3209732 TimTec1_000098 Nc1ccc(OCC(O)C[n+]2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E11 compound treatment 2.403 2.3914 7.5082 3.918 3.8977 9.1981 3.506 3.4836 9.0903 14.8937 0.996 3081515 TimTec1_000099 O=C(Nc1cccc(NC(=O)/C=C/c2ccco2)n1)/C=C/c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E12 compound treatment -0.059 -0.070626 -0.3681 0.027 0.00673 0.0374 0.07 0.04762 0.2693 -0.0355 -0.0775 1009007 TimTec1_000100 CCCC(=O)NCc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E13 compound treatment -0.031 -0.042626 -0.2222 -0.126 -0.14627 -0.8128 0.097 0.07462 0.422 -0.3539 -0.3756 1705451 TimTec1_000101 CC1C2COCC2CC(C1O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E14 compound treatment 0.314 0.30237 1.576 0.094 0.07373 0.4097 0.104 0.08162 0.4616 1.413 0.8348 1074947 TimTec1_000102 Cc1ccc[n+](Cc2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E15 compound treatment 1.429 1.4174 6.1341 0.077 0.05673 0.3153 1.22 1.1976 6.1283 7.2617 0.8369 1394494 TimTec1_000103 Nc1ccc(c2nc3cc(Cl)ccc3o2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E16 compound treatment -0.155 -0.16663 -0.8685 -0.112 -0.13227 -0.735 0.037 0.01462 0.0827 -0.8781 -0.7697 3209733 TimTec1_000104 CN(C)/C=C(\C=[N+](C)C)/c1cc([nH]n1)\C(=C/N(C)C)\C=[N+](C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E17 compound treatment 0.586 0.57437 2.9938 0.628 0.60773 3.3773 -0.125 -0.14738 -0.8335 3.1971 0.6966 3081522 TimTec1_000105 Oc1ccc(Cl)cc1/N=C/c2ccc(o2)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E18 compound treatment -0.031 -0.042626 -0.2222 0.053 0.03273 0.1819 -0.086 -0.10838 -0.6129 -0.3771 -0.5572 1633318 TimTec1_000106 Oc1ccc2occ(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E19 compound treatment -0.075 -0.086626 -0.4515 0.079 0.05873 0.3264 0.0 -0.02238 -0.1266 -0.1453 -0.2544 1221609 TimTec1_000107 CCOC(=O)C1(COC(=O)C1)c2csc(N)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E20 compound treatment 0.013 0.0013745 0.0072 -0.019 -0.03927 -0.2182 0.066 0.04362 0.2467 0.0206 0.0624 1365512 TimTec1_000108 CSc1c(CC(=O)NCCc2ccccc2)n(C)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E21 compound treatment 0.025 0.013374 0.0697 -0.276 -0.29627 -1.6464 -0.136 -0.15838 -0.8957 -1.4274 -0.7611 3081562 TimTec1_000109 Cc1c(/C=N/c2cccc3nsnc23)c(O)n4c5ccccc5nc4c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E22 compound treatment 0.084 0.072374 0.3772 -0.006 -0.02627 -0.146 0.086 0.06362 0.3598 0.3412 0.6303 1408177 TimTec1_000110 O=C(CCN1CCCCC1)c2cc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E23 mock treatment 0.0 -0.011626 -0.0606 0.033 0.01273 0.0707 0.106 0.08362 0.4729 0.2789 0.5786 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 E24 mock treatment 0.083 0.071374 0.372 -0.086 -0.10627 -0.5906 0.083 0.06062 0.3428 0.0718 0.0923 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F01 compound treatment -0.042 -0.053626 -0.2795 -0.068 -0.08827 -0.4905 -0.084 -0.10638 -0.6016 -0.7919 -0.9599 1212077 TimTec1_000111 CCOC(=O)c1cc2ccccc2nc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F02 compound treatment 0.0 -0.011626 -0.0606 0.091 0.07073 0.3931 0.054 0.03162 0.1788 0.2952 0.677 3209734 TimTec1_000112 C=CCNC(=O)CC1CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F03 compound treatment -0.106 -0.11763 -0.6131 0.007 -0.01327 -0.0737 0.628 0.60562 3.4249 1.5808 0.4542 3209735 TimTec1_000113 COc1ccc(O)c(c1)c2c[nH]c(=S)nc2c3cc(OC)ccc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F04 compound treatment 0.032 0.020374 0.1062 -0.026 -0.04627 -0.2571 -0.184 -0.20638 -1.1671 -0.761 -0.6342 1743325 TimTec1_000114 COc1ccc2nc3-c4cccc5cccc(-c3nc2c1)c45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F05 compound treatment -0.151 -0.16263 -0.8476 0.09 0.06973 0.3875 -0.11 -0.13238 -0.7486 -0.6979 -0.5838 2104259 TimTec1_000115 Brc1cccc(c1)c2n[nH]c(=O)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F06 compound treatment 0.341 0.32937 1.7168 0.182 0.16173 0.8988 0.269 0.24662 1.3947 2.3153 0.9698 1644388 TimTec1_000116 O=S(=O)(CCc1ccncc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F07 compound treatment -0.035 -0.046626 -0.243 -0.028 -0.04827 -0.2682 0.028 0.0056202 0.0318 -0.2768 -0.7619 1066566 TimTec1_000117 Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F08 compound treatment -0.025 -0.036626 -0.1909 0.025 0.00473 0.0263 0.226 0.20362 1.1515 0.5698 0.488 1595822 TimTec1_000118 Nc1ccc(cc1)C(=O)NCC2CCCN3CCCCC23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F09 compound treatment -0.126 -0.13763 -0.7173 -0.065 -0.08527 -0.4739 -0.084 -0.10638 -0.6016 -1.0351 -0.9864 3209736 TimTec1_000119 CN(C)Cc1c(C#N)c2ccccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F10 compound treatment -0.061 -0.072626 -0.3785 0.169 0.14873 0.8265 0.203 0.18062 1.0214 0.8484 0.6204 3081571 TimTec1_000120 Cc1c(O)n(nc1/C=N/n2cnnc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F11 compound treatment -0.052 -0.063626 -0.3316 0.071 0.05073 0.2819 -0.173 -0.19538 -1.1049 -0.6666 -0.5613 3209737 TimTec1_000121 Oc1ccc(cc1)n2cccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F12 compound treatment -0.136 -0.14763 -0.7695 0.086 0.06573 0.3653 0.075 0.05262 0.2976 -0.0616 -0.0682 1378112 TimTec1_000122 CC(C)(C)C(=O)c1sc2nc3CCCc3c(c4cccs4)c2c1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F13 compound treatment 0.036 0.024374 0.127 0.079 0.05873 0.3264 -0.417 -0.43938 -2.4848 -1.1728 -0.4674 1389415 TimTec1_000123 Clc1cccc(OCCN2CCOCC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F14 compound treatment 0.096 0.084374 0.4398 0.0 -0.02027 -0.1126 0.007 -0.01538 -0.087 0.1387 0.3 3209738 TimTec1_000124 COc1ccc(C/N=C/C2C(=O)N(N=C2C(F)(F)F)c3nc4ccccc4s3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F15 compound treatment -0.173 -0.18463 -0.9623 0.59 0.56973 3.1661 0.184 0.16162 0.914 1.8 0.5243 1562364 TimTec1_000125 CN1CCN(CCOc2ccccc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F16 compound treatment -0.075 -0.086626 -0.4515 0.184 0.16373 0.9099 -0.103 -0.12538 -0.709 -0.1447 -0.1168 1380422 TimTec1_000126 Brc1ccccc1OCc2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F17 compound treatment -0.052 -0.063626 -0.3316 -0.119 -0.13927 -0.7739 0.075 0.05262 0.2976 -0.4665 -0.5224 1337811 TimTec1_000127 COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F18 compound treatment -0.049 -0.060626 -0.316 0.368 0.34773 1.9324 0.058 0.03562 0.2014 1.0495 0.5332 3209739 TimTec1_000128 O=C(/C=C/C(=O)c1ccccc1)N2c3ccccc3Sc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F19 compound treatment -0.079 -0.090626 -0.4724 -0.007 -0.02727 -0.1515 -0.11 -0.13238 -0.7486 -0.7924 -0.8824 1683844 TimTec1_000129 CC1(C)CC(C)(c2ccccc2)c3cc(SC#N)ccc3N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F20 compound treatment -0.012 -0.023626 -0.1231 0.083 0.06273 0.3486 -0.101 -0.12338 -0.6977 -0.2727 -0.3453 1442200 TimTec1_000130 CC1CCN(CC(O)COc2c(F)cc(Br)cc2F)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F21 compound treatment 0.054 0.042374 0.2209 0.02 -2.7002E-4 -0.0015 0.027 0.0046202 0.0261 0.1417 0.6373 1404864 TimTec1_000131 OCCN(CCO)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F22 compound treatment -0.068 -0.079626 -0.415 -0.161 -0.18127 -1.0073 -0.186 -0.20838 -1.1784 -1.5016 -0.9356 1413355 TimTec1_000132 CSC1=NC2(CCCCC2)NC3=C1CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F23 mock treatment 0.036 0.024374 0.127 0.071 0.05073 0.2819 0.012 -0.01038 -0.0587 0.2022 0.6425 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 F24 mock treatment -0.036 -0.047626 -0.2482 0.0 -0.02027 -0.1126 -0.074 -0.09638 -0.545 -0.523 -0.8583 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G01 compound treatment -0.007 -0.018626 -0.0971 -0.048 -0.06827 -0.3794 -0.035 -0.05738 -0.3245 -0.4624 -0.9093 1746897 TimTec1_000133 CC1Cc2ccccc2N1C(=O)c3cccc(n3)C(=O)N4C(C)Cc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G02 compound treatment -0.027 -0.038626 -0.2013 0.066 0.04573 0.2541 -0.103 -0.12538 -0.709 -0.3789 -0.486 1210571 TimTec1_000134 CCOC(=O)C1(C#N)C(C=C(C(=C1N)C#N)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G03 compound treatment -0.086 -0.097626 -0.5088 0.012 -0.00827 -0.046 0.066 0.04362 0.2467 -0.1779 -0.3136 1738871 TimTec1_000135 O=C(C1CC1(c2ccccc2)c3ccccc3)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G04 compound treatment -0.151 -0.16263 -0.8476 -0.101 -0.12127 -0.6739 -0.074 -0.09638 -0.545 -1.1932 -0.9842 1495985 TimTec1_000136 CC(C)Cc1cc(c(C#N)c(N)n1)c2cccc(Br)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G05 compound treatment -0.431 -0.44263 -2.3071 -0.068 -0.08827 -0.4905 -0.441 -0.46338 -2.6205 -3.1281 -0.8873 1728047 TimTec1_000137 CC(C)(C)c1cc(CCC(=O)NCCN)cc(c1O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G06 compound treatment 0.742 0.73037 3.8069 0.169 0.14873 0.8265 1.409 1.3866 6.5625 6.464 0.847 1006115 TimTec1_000138 CCN(CC)C1CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G07 compound treatment 0.215 0.20337 1.06 0.178 0.15773 0.8765 0.082 0.05962 0.3372 1.3127 0.9269 1442213 TimTec1_000139 CN(C)c1nc(Cl)nc(n1)N(CN2C(=O)c3ccccc3C2=O)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G08 compound treatment -0.017 -0.028626 -0.1492 -0.047 -0.06727 -0.3738 0.031 0.0086202 0.0487 -0.2738 -0.6754 1391498 TimTec1_000140 Cc1nc2n(C)c(=O)n(C)c(=O)c2cc1C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G09 compound treatment 0.022 0.010374 0.0541 0.0 -0.02027 -0.1126 0.131 0.10862 0.6143 0.3208 0.5118 1225682 TimTec1_000141 CC(C)Nc1nc(NC(C)C)nc(n1)N(C)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G10 compound treatment 0.041 0.029374 0.1531 0.103 0.08273 0.4597 0.061 0.03862 0.2184 0.4799 0.9029 1485808 TimTec1_000142 Cc1cccc(C[N+](C)(C)CCC(=O)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G11 compound treatment -0.082 -0.093626 -0.488 -0.076 -0.09627 -0.535 -0.091 -0.11338 -0.6412 -0.9608 -0.9934 1186157 TimTec1_000143 CC12CCCCC2=NC(N1O)c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G12 compound treatment -0.018 -0.029626 -0.1544 -0.083 -0.10327 -0.5739 -0.081 -0.10338 -0.5846 -0.758 -0.9093 1025931 TimTec1_000144 Cc1ccc(cc1)S(=O)(=O)NCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G13 compound treatment 0.055 0.043374 0.2261 -0.035 -0.05527 -0.3071 0.163 0.14062 0.7952 0.4123 0.4675 1323961 TimTec1_000145 S=C(CC(=S)N1CCOCC1)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G14 compound treatment 0.094 0.082374 0.4294 0.056 0.03573 0.1986 0.034 0.01162 0.0657 0.4005 0.8385 3209861 TimTec1_000146 CC(=O)NC1CCCCc2sccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G15 compound treatment -0.063 -0.074626 -0.389 0.03 0.00973 0.0541 -0.127 -0.14938 -0.8448 -0.6811 -0.7311 1288570 TimTec1_000147 CCCC(CCC)c1nc2ccncc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G16 compound treatment 0.123 0.11137 0.5805 -0.194 -0.21427 -1.1907 0.232 0.20962 1.1854 0.3321 0.1868 3209862 TimTec1_000148 OC1=C(C2C3C(CCCC3=O)Oc4ccccc24)C(=O)CCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G17 compound treatment -0.258 -0.26963 -1.4054 0.566 0.54573 3.0327 -0.09 -0.11238 -0.6355 0.5726 0.1683 3081632 TimTec1_000149 OC(=O)CCC/N=C(\c1ccc(Cl)cc1)/c2cc(F)ccc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G18 compound treatment -0.006 -0.017626 -0.0919 1.348 1.3277 6.328 0.058 0.03562 0.2014 3.7167 0.587 1713094 TimTec1_000150 CN(C)Cc1c(O)ccc2occ(C(=O)c3cccc(Br)c3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G19 compound treatment 0.064 0.052374 0.273 0.017 -0.00327 -0.0182 -0.065 -0.08738 -0.4941 -0.1382 -0.2446 3081667 TimTec1_000151 CCCC1CC(C)(OC1=O)C(=O)C[n+]2cccc(c2)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G20 compound treatment 0.126 0.11437 0.5961 -0.074 -0.09427 -0.5239 0.064 0.04162 0.2354 0.1776 0.2146 1405391 TimTec1_000152 COc1ccc(OC)c(c1)C(=O)c2coc3ccc(O)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G21 compound treatment 0.538 0.52637 2.7436 0.446 0.42573 2.3659 1.374 1.3516 6.4869 6.6951 0.9011 3081670 TimTec1_000153 CC(C)C1(CN2CC/3CN(C1)CC2)\C3=N/N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G22 compound treatment 0.025 0.013374 0.0697 -0.02 -0.04027 -0.2238 0.048 0.02562 0.1449 -0.0053 -0.0193 1185154 TimTec1_000154 CCOC(=O)Cn1c(C)c(Sc2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G23 mock treatment 0.044 0.032374 0.1687 0.131 0.11073 0.6153 0.067 0.04462 0.2523 0.5984 0.8721 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 G24 mock treatment 0.134 0.12237 0.6378 0.018 -0.00227 -0.0126 0.084 0.06162 0.3485 0.5622 0.7733 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H01 compound treatment 0.035 0.023374 0.1218 0.181 0.16073 0.8932 0.014 -0.0083798 -0.0474 0.5587 0.6189 1114526 TimTec1_000155 NC(=O)c1ccccc1C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H02 compound treatment 0.253 0.24137 1.2581 0.201 0.18073 1.0043 -0.152 -0.17438 -0.9861 0.7369 0.3903 3209863 TimTec1_000156 CC(C)c1ccc(cc1)C(C)(C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H03 compound treatment -0.178 -0.18963 -0.9884 0.095 0.07473 0.4153 -0.116 -0.13838 -0.7826 -0.7827 -0.5897 1440514 TimTec1_000157 COc1ccccc1OCCN2CCN(CC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H04 compound treatment -0.168 -0.17963 -0.9363 -0.036 -0.05627 -0.3127 -0.118 -0.14038 -0.7939 -1.1794 -0.9311 3081674 TimTec1_000158 Cc1c(/C=C/c2ccc(Cl)cc2Cl)c(=O)n(c3ccccc3)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H05 compound treatment -0.132 -0.14363 -0.7486 0.162 0.14173 0.7876 0.041 0.01862 0.1053 0.0833 0.0763 3209864 TimTec1_000159 COc1ccc(Br)c2OCCOc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H06 compound treatment -0.09 -0.10163 -0.5297 -0.048 -0.06827 -0.3794 -0.09 -0.11238 -0.6355 -0.8918 -0.9798 3209865 TimTec1_000160 COc1ccc(NC(=O)CC(=O)CSc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H07 compound treatment 0.33 0.31837 1.6594 -0.052 -0.07227 -0.4016 0.371 0.34862 1.9715 1.8645 0.7149 1282382 TimTec1_000161 CN1CCN(Cc2c(C#N)c3ccccc3n2C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H08 compound treatment 0.0 -0.011626 -0.0606 0.239 0.21873 1.2155 0.032 0.0096202 0.0544 0.6982 0.5731 1156260 TimTec1_000162 O=C(CSc1nc2ccccc2o1)Nc3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H09 compound treatment -0.156 -0.16763 -0.8737 0.103 0.08273 0.4597 -0.019 -0.04138 -0.234 -0.3741 -0.3687 1296268 TimTec1_000163 Cn1c(CN2CCOCC2)c(C#N)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H10 compound treatment -0.207 -0.21863 -1.1395 -0.172 -0.19227 -1.0685 -0.11 -0.13238 -0.7486 -1.707 -0.9854 1566355 TimTec1_000164 C1CCC(CC1)Nc2c(nnn2C3CCCCC3)c4ccn[nH]4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H11 compound treatment 0.034 0.022374 0.1166 0.159 0.13873 0.7709 0.118 0.09562 0.5408 0.8246 0.8691 3081679 TimTec1_000165 CNC(=O)CCc1cc2ccccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H12 compound treatment 0.059 0.047374 0.2469 0.491 0.47073 2.6159 0.238 0.21562 1.2194 2.3569 0.8136 1429944 TimTec1_000166 NC(=S)c1cnc2ccccn2c1=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H13 compound treatment -0.172 -0.18363 -0.9571 -0.101 -0.12127 -0.6739 -0.014 -0.03638 -0.2057 -1.0604 -0.8923 1210033 TimTec1_000167 O=C(CCN1CCN(CC1)c2ccccc2)Nc3nccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H14 compound treatment -0.116 -0.12763 -0.6652 -0.096 -0.11627 -0.6461 0.013 -0.0093798 -0.053 -0.7877 -0.848 3209866 TimTec1_000168 FC(F)(F)c1[nH]n(c2nc3ccccc3s2)c(=O)c1/C=N/CCN4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H15 compound treatment 0.018 0.0063745 0.0332 -0.134 -0.15427 -0.8573 -0.013 -0.03538 -0.2001 -0.5913 -0.6712 3081684 TimTec1_000169 COc1ccc(/C=N/c2oc(C)c(C)c2C#N)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H16 compound treatment 0.059 0.047374 0.2469 -0.066 -0.08627 -0.4794 -0.095 -0.11738 -0.6638 -0.5175 -0.6051 3209867 TimTec1_000170 C[n+]1c(COc2ccccc2O)sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H17 compound treatment -0.017 -0.028626 -0.1492 0.013 -0.00727 -0.0404 0.053 0.03062 0.1732 -0.0095 -0.0409 1912978 TimTec1_000171 CC(=O)N1c2ccccc2C(C)(CC1(C)C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H18 compound treatment 0.018 0.0063745 0.0332 0.156 0.13573 0.7543 0.05 0.02762 0.1562 0.5448 0.7067 3081687 TimTec1_000172 Cn1ccnc1C(=O)Oc2ccccc2F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H19 compound treatment -0.012 -0.023626 -0.1231 0.204 0.18373 1.021 0.118 0.09562 0.5408 0.8306 0.7148 1280653 TimTec1_000173 CC1=CC(C)(C)N(c2ccccc12)S(=O)(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H20 compound treatment 0.217 0.20537 1.0705 0.154 0.13373 0.7432 0.108 0.08562 0.4842 1.3266 0.9543 3209868 TimTec1_000174 O=c1[nH]c2ccc(/N=C/c3ccc4OCOc4c3)cc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H21 compound treatment 0.049 0.037374 0.1948 0.081 0.06073 0.3375 0.049 0.02662 0.1505 0.3942 0.9437 3081729 TimTec1_000175 Nc1no[n+]([O-])c1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H22 compound treatment -0.056 -0.067626 -0.3525 0.094 0.07373 0.4097 0.211 0.18862 1.0667 0.6489 0.5427 3081731 TimTec1_000176 CCOc1ccc2S/C(=C/NC(C)CC)/C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H23 mock treatment -0.006 -0.017626 -0.0919 0.05 0.02973 0.1652 0.058 0.03562 0.2014 0.1586 0.5743 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 H24 mock treatment -0.084 -0.095626 -0.4984 0.062 0.04173 0.2319 -0.006 -0.02838 -0.1605 -0.2465 -0.4305 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I01 compound treatment -0.06 -0.071626 -0.3733 0.055 0.03473 0.193 -0.08 -0.10238 -0.579 -0.4384 -0.6128 1160113 TimTec1_000177 Cc1ccccc1OCC(=O)Nc2ccc3nn(nc3c2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I02 compound treatment -0.103 -0.11463 -0.5975 0.164 0.14373 0.7987 -0.214 -0.23638 -1.3368 -0.6556 -0.3931 1912584 TimTec1_000178 Nc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I03 compound treatment 0.304 0.29237 1.5239 1.391 1.3707 6.4207 0.18 0.15762 0.8914 5.1015 0.7661 3081734 TimTec1_000179 COC(=O)CCC(=O)Nc1nccs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I04 compound treatment -0.064 -0.075626 -0.3942 0.116 0.09573 0.532 0.044 0.02162 0.1223 0.1502 0.223 1175548 TimTec1_000180 CC(=O)Nc1nc(cc(c1C#N)c2ccccc2)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I05 compound treatment -0.103 -0.11463 -0.5975 -0.161 -0.18127 -1.0073 0.846 0.82362 4.6577 1.7626 0.367 1060191 TimTec1_000181 S=C1N(CN2CCCCC2)CCN1CN3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I06 compound treatment -0.155 -0.16663 -0.8685 -0.025 -0.04527 -0.2516 0.918 0.89562 5.0649 2.2776 0.4427 3209869 TimTec1_000182 CC[N+](C)(CC)Cc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I07 compound treatment 0.089 0.077374 0.4033 0.095 0.07473 0.4153 -0.34 -0.36238 -2.0493 -0.7106 -0.3337 3209870 TimTec1_000183 Cc1cc(NN)nc(SCC(=O)NN)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I08 compound treatment 0.795 0.78337 4.0831 0.07 0.04973 0.2764 6.918 6.8956 10.5352 8.5995 0.7609 1289525 TimTec1_000184 C[N+]1(CC(O)C[N+]2(C)CCCCC2)CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I09 compound treatment -0.025 -0.036626 -0.1909 -0.274 -0.29427 -1.6353 0.006 -0.01638 -0.0926 -1.1078 -0.6718 1505713 TimTec1_000185 C1=C(N=C2C=Cc3nonc3C12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I10 compound treatment 0.191 0.17937 0.9349 0.458 0.43773 2.4325 0.179 0.15662 0.8857 2.4556 0.8922 1080215 TimTec1_000186 OP(=O)(Nc1ccccc1)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I11 compound treatment 0.299 0.28737 1.4979 0.785 0.76473 4.2497 0.882 0.85962 4.8613 6.1251 0.9241 3209871 TimTec1_000187 Cc1c(Br)c(nn1CC(=O)N)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I12 compound treatment 0.0 -0.011626 -0.0606 -0.104 -0.12427 -0.6906 0.021 -0.0013798 -0.0078 -0.4382 -0.6321 1668354 TimTec1_000188 O=C(N1CCCCC1)c2ccccc2C(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I13 compound treatment 0.023 0.011374 0.0593 0.093 0.07273 0.4042 -0.073 -0.09538 -0.5394 -0.0438 -0.0648 1230919 TimTec1_000189 CN(C)CCNc1nc(no1)c2noc(NCCN(C)C)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I14 compound treatment 4.343 4.3314 8.8617 -0.156 -0.17627 -0.9796 3.743 3.7206 9.2477 9.8899 0.7699 1641088 TimTec1_000190 C[N+]1(CC(O)CN2CCCC2=O)CCCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I15 compound treatment 0.319 0.30737 1.6021 0.359 0.33873 1.8824 0.121 0.09862 0.5577 2.3338 0.921 1479834 TimTec1_000191 CC1(C)CC(CC(C)(C)N1)NC(=O)N2c3ccccc3CCc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I16 compound treatment 0.026 0.014374 0.0749 0.066 0.04573 0.2541 0.143 0.12062 0.6821 0.5838 0.7978 3209872 TimTec1_000192 CCOC(=O)C1(C#N)C(C#N)(C(=O)OCC)C1(C#N)C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I17 compound treatment 1.126 1.1144 5.4779 1.313 1.2927 6.2502 0.067 0.04462 0.2523 6.9169 0.8319 1350657 TimTec1_000193 COc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I18 compound treatment 1.136 1.1244 5.5023 0.515 0.49473 2.7493 -0.043 -0.06538 -0.3697 4.5506 0.7385 1439817 TimTec1_000194 CC(=O)Oc1ccc2occ(C(=O)c3cc4ccccc4o3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I19 compound treatment -0.062 -0.073626 -0.3838 0.021 7.2998E-4 0.0041 -0.097 -0.11938 -0.6751 -0.609 -0.7842 1619809 TimTec1_000195 Nc1nc(cc(c1C#N)c2ccccc2Cl)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I20 compound treatment 1.578 1.5664 6.4047 4.921 4.9007 9.6968 0.099 0.07662 0.4333 9.5464 0.8209 1402303 TimTec1_000196 CN(C)CCC(=O)c1coc2ccc(OC(=O)C)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I21 compound treatment -0.025 -0.036626 -0.1909 0.036 0.01573 0.0874 0.064 0.04162 0.2354 0.0761 0.2414 3209873 TimTec1_000197 C/C(=N\n1nnnc1Nc2ccccc2)/c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I22 compound treatment 0.053 0.041374 0.2157 0.032 0.01173 0.0652 0.059 0.03662 0.2071 0.2817 0.9206 1447918 TimTec1_000198 COC(=O)CCC(=O)c1cc2cc(Br)ccc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I23 mock treatment -0.035 -0.046626 -0.243 -0.013 -0.03327 -0.1849 0.067 0.04462 0.2523 -0.1014 -0.2559 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 I24 mock treatment 0.047 0.035374 0.1844 -0.119 -0.13927 -0.7739 0.142 0.11962 0.6765 0.0502 0.048 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J01 compound treatment -0.242 -0.25363 -1.322 0.014 -0.00627 -0.0348 -0.066 -0.08838 -0.4998 -1.0719 -0.7582 1078582 TimTec1_000199 NC(=O)c1ccc2ccccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J02 compound treatment 0.079 0.067374 0.3512 -0.101 -0.12127 -0.6739 -0.04 -0.06238 -0.3528 -0.39 -0.4655 1032512 TimTec1_000200 O=C1N(CNc2ccccc2)C(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J03 compound treatment 0.058 0.046374 0.2417 0.216 0.19573 1.0877 0.433 0.41062 2.3221 2.1082 0.8185 1725358 TimTec1_000201 Cc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J04 compound treatment -0.013 -0.024626 -0.1284 -0.05 -0.07027 -0.3905 -0.013 -0.03538 -0.2001 -0.4151 -0.9079 1122981 TimTec1_000202 O=C1NC(=O)c2cc(ccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J05 compound treatment 0.031 0.019374 0.101 0.077 0.05673 0.3153 -0.005 -0.02738 -0.1548 0.1509 0.413 1020688 TimTec1_000203 Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J06 compound treatment -0.069 -0.080626 -0.4202 0.291 0.27073 1.5045 0.11 0.08762 0.4955 0.9121 0.5566 1386865 TimTec1_000204 COC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J07 compound treatment 0.149 0.13737 0.716 -0.193 -0.21327 -1.1852 -0.133 -0.15538 -0.8787 -0.7782 -0.4745 1498066 TimTec1_000205 CC(=O)Nc1c(oc2ccccc12)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J08 compound treatment -0.076 -0.087626 -0.4567 -0.207 -0.22727 -1.263 0.165 0.14262 0.8065 -0.5272 -0.3365 1326858 TimTec1_000206 CN1CCc2c(C1)c(nc3[nH]nc(N)c23)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J09 compound treatment -0.034 -0.045626 -0.2378 -0.006 -0.02627 -0.146 0.1 0.07762 0.439 0.0318 0.0612 1734489 TimTec1_000207 Cn1c(CSCc2ccccc2)c(C#N)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J10 compound treatment -0.188 -0.19963 -1.0405 0.108 0.08773 0.4875 0.171 0.14862 0.8405 0.166 0.1166 3209874 TimTec1_000208 O/N=C\1/C2CN3CC1(Cc4ccccc4)CN(C2)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J11 compound treatment -0.137 -0.14863 -0.7747 -0.08 -0.10027 -0.5572 -0.171 -0.19338 -1.0936 -1.4004 -0.9648 3081797 TimTec1_000209 S(c1ccccn1)c2ncnc3c4ccccc4oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J12 compound treatment -0.036 -0.047626 -0.2482 0.026 0.00573 0.0318 -0.061 -0.08338 -0.4715 -0.3972 -0.744 3209875 TimTec1_000210 CCOC(=O)[C@@]1(C#N)[C@H]([C@@H](N2C=C(C=C[C@H]21)C(=O)N)C(=O)N)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J13 compound treatment -0.127 -0.13863 -0.7225 -0.019 -0.03927 -0.2182 -0.204 -0.22638 -1.2802 -1.2823 -0.8628 3081799 TimTec1_000211 C(Sc1ncnc2c3ccccc3oc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J14 compound treatment 0.064 0.052374 0.273 0.056 0.03573 0.1986 -0.042 -0.06438 -0.3641 0.062 0.125 3081800 TimTec1_000212 FC(F)(F)c1[nH]n(c2nc3ccccc3s2)c(=O)c1/C=N/Cc4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J15 compound treatment -0.032 -0.043626 -0.2274 0.503 0.48273 2.6826 0.034 0.01162 0.0657 1.4555 0.5405 1498770 TimTec1_000213 COc1cc(OC)cc(c1)C(=O)N2CCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J16 compound treatment -0.081 -0.092626 -0.4828 -0.055 -0.07527 -0.4183 0.155 0.13262 0.75 -0.0872 -0.0885 1358111 TimTec1_000214 Oc1ccccc1OCC(=O)N2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J17 compound treatment 0.075 0.063374 0.3303 0.013 -0.00727 -0.0404 -0.112 -0.13438 -0.7599 -0.2714 -0.3271 1091978 TimTec1_000215 CCOC(=O)CN=C(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J18 compound treatment -0.032 -0.043626 -0.2274 0.169 0.14873 0.8265 -0.208 -0.23038 -1.3028 -0.4063 -0.2605 1917358 TimTec1_000216 CN1CCN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J19 compound treatment 0.169 0.15737 0.8203 0.083 0.06273 0.3486 0.036 0.01362 0.077 0.7193 0.8041 1066363 TimTec1_000217 COc1ccc2NC(C)(C)C=C(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J20 compound treatment -0.025 -0.036626 -0.1909 0.362 0.34173 1.899 0.137 0.11462 0.6482 1.3604 0.6749 1921867 TimTec1_000218 On1c(nc-2c1CCc3c2no[n+]3[O-])c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J21 compound treatment -0.046 -0.057626 -0.3004 -0.156 -0.17627 -0.9796 -0.145 -0.16738 -0.9466 -1.2855 -0.9215 3081805 TimTec1_000219 Nc1c(no[n+]1[O-])C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J22 compound treatment 0.007 -0.0046255 -0.0241 -0.053 -0.07327 -0.4072 -0.032 -0.05438 -0.3075 -0.4266 -0.835 1879059 TimTec1_000220 CNC(=O)N(Cc1cccnc1)Cc2ccccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J23 mock treatment 0.019 0.0073745 0.0384 0.134 0.11373 0.632 0.094 0.07162 0.405 0.6209 0.8261 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 J24 mock treatment -0.037 -0.048626 -0.2534 0.081 0.06073 0.3375 -0.104 -0.12638 -0.7147 -0.3641 -0.4387 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K01 compound treatment 0.268 0.25637 1.3363 0.076 0.05573 0.3097 0.007 -0.01538 -0.087 0.9001 0.6549 1259801 TimTec1_000221 CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K02 compound treatment -0.02 -0.031626 -0.1648 -0.12 -0.14027 -0.7795 0.087 0.06462 0.3654 -0.3342 -0.3813 1151146 TimTec1_000222 Nc1c(C#N)c(c2ccccc2)c3CCCCc3c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K03 compound treatment 0.088 0.076374 0.3981 -0.148 -0.16827 -0.9351 -0.049 -0.07138 -0.4037 -0.5431 -0.4966 1392387 TimTec1_000223 Brc1ccc(o1)C(=O)Nc2ccc3OCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K04 compound treatment -0.006 -0.017626 -0.0919 0.006 -0.01427 -0.0793 -0.175 -0.19738 -1.1162 -0.7433 -0.662 1275980 TimTec1_000224 Clc1ccc(OCC(=O)NCC=C)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K05 compound treatment 0.125 0.11337 0.5909 -0.068 -0.08827 -0.4905 0.053 0.03062 0.1732 0.1579 0.2006 1285366 TimTec1_000225 Cc1cccc(CN2CCN(Cc3cccc(C)c3O)CC2)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K06 compound treatment 0.042 0.030374 0.1583 -0.024 -0.04427 -0.246 0.859 0.83662 4.7312 2.681 0.5656 3081809 TimTec1_000226 Cc1cc(C)nc(SCC(=O)NN)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K07 compound treatment 0.07 0.058374 0.3043 -0.017 -0.03727 -0.2071 0.078 0.05562 0.3145 0.2377 0.4909 1584109 TimTec1_000227 NNC(=O)C1CC2CC1CC2C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K08 compound treatment -0.188 -0.19963 -1.0405 0.024 0.00373 0.0207 -0.195 -0.21738 -1.2293 -1.2985 -0.8062 1914424 TimTec1_000228 C(=N/C(\N=C\c1ccccc1)c2ccccc2)\c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K09 compound treatment -0.071 -0.082626 -0.4307 0.022 0.00173 0.0096 -0.032 -0.05438 -0.3075 -0.4206 -0.7947 3081861 TimTec1_000229 COC(=O)c1ccc(NC(=S)NC(=O)N2CCOCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K10 compound treatment 0.739 0.72737 3.7912 0.866 0.84573 4.6999 0.601 0.57862 3.2722 6.7916 0.9889 3209999 TimTec1_000230 CC(=O)OC1COC(NC(=S)Oc2ccccc2)C(OC(=O)C)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K11 compound treatment -0.024 -0.035626 -0.1857 -0.105 -0.12527 -0.6961 -0.05 -0.07238 -0.4093 -0.7454 -0.8996 3081863 TimTec1_000231 CCOC(=O)Cn1nc(cc1C)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K12 compound treatment -0.053 -0.064626 -0.3368 -0.156 -0.17627 -0.9796 0.0 -0.02238 -0.1266 -0.8331 -0.7983 3210000 TimTec1_000232 COc1ccc(/C=C/C(=O)OC2CCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K13 compound treatment 0.038 0.026374 0.1375 0.04 0.01973 0.1096 -0.131 -0.15338 -0.8674 -0.3581 -0.4046 3081865 TimTec1_000233 c1ccc(cc1)c2cnc3nonc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K14 compound treatment 0.027 0.015374 0.0801 -0.013 -0.03327 -0.1849 -0.134 -0.15638 -0.8844 -0.5711 -0.6296 1474168 TimTec1_000234 COc1ccc(CCN(C)C(=S)NN)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K15 compound treatment -0.043 -0.054626 -0.2847 0.019 -0.00127 -0.0071 0.109 0.08662 0.4899 0.1144 0.2018 1445690 TimTec1_000235 OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K16 compound treatment -0.135 -0.14663 -0.7642 -0.073 -0.09327 -0.5183 0.04 0.01762 0.0996 -0.683 -0.7353 1033126 TimTec1_000236 Cc1ccc(cc1)S(=O)(=O)Nc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K17 compound treatment -0.073 -0.084626 -0.4411 0.048 0.02773 0.1541 -0.118 -0.14038 -0.7939 -0.624 -0.6774 1183681 TimTec1_000237 COc1cc(NC(=O)Cc2ccc(F)cc2)cc(c1)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K18 compound treatment 0.03 0.018374 0.0958 0.222 0.20173 1.121 0.113 0.09062 0.5125 0.9984 0.8075 1604299 TimTec1_000238 COc1cc2c(NC(=O)C)c(CN(C)C)oc2c(Cl)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K19 compound treatment 0.052 0.040374 0.2104 0.047 0.02673 0.1485 0.128 0.10562 0.5973 0.5521 0.8488 3210001 TimTec1_000239 NS(=O)(=O)c1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K20 compound treatment -0.054 -0.065626 -0.3421 -0.044 -0.06427 -0.3572 -0.201 -0.22338 -1.2633 -1.133 -0.8352 3081870 TimTec1_000240 CCOC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K21 compound treatment -0.085 -0.096626 -0.5036 -0.159 -0.17927 -0.9962 -0.137 -0.15938 -0.9013 -1.3863 -0.9662 3210002 TimTec1_000241 S=c1n(CN(Cc2ccccc2)Cc3ccccc3)nnn1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K22 compound treatment -0.078 -0.089626 -0.4671 -0.068 -0.08827 -0.4905 0.126 0.10362 0.586 -0.2146 -0.2396 1023688 TimTec1_000242 CN(C)CCC(=O)c1ccco1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K23 mock treatment -0.265 -0.27663 -1.4418 0.105 0.08473 0.4709 0.12 0.09762 0.5521 -0.2419 -0.1498 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 K24 mock treatment 0.059 0.047374 0.2469 0.132 0.11173 0.6209 0.078 0.05562 0.3145 0.6826 0.9243 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L01 compound treatment 0.056 0.044374 0.2313 0.163 0.14273 0.7932 0.056 0.03362 0.1901 0.7012 0.8271 1264988 TimTec1_000243 COc1cc(N)c(Cl)cc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L02 compound treatment 0.0 -0.011626 -0.0606 -0.093 -0.11327 -0.6295 0.073 0.05062 0.2863 -0.2331 -0.3358 1706058 TimTec1_000244 CC(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccccc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L03 compound treatment -0.207 -0.21863 -1.1395 -0.092 -0.11227 -0.6239 -0.089 -0.11138 -0.6299 -1.3818 -0.957 1357677 TimTec1_000245 CNC(=O)c1cnc2cc(Cl)ccc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L04 compound treatment 0.006 -0.0056255 -0.0293 -0.05 -0.07027 -0.3905 -0.019 -0.04138 -0.234 -0.3775 -0.8275 1569209 TimTec1_000246 O=S(=O)(NC1c2ccccc2Oc3ccccc13)c4ccc5ccccc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L05 compound treatment 0.017 0.0053745 0.028 0.06 0.03973 0.2208 0.073 0.05062 0.2863 0.3089 0.852 1015215 TimTec1_000247 COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L06 compound treatment 0.065 0.053374 0.2782 -0.023 -0.04327 -0.2405 0.059 0.03662 0.2071 0.1414 0.3349 1490465 TimTec1_000248 COc1ccc(SCC(=O)Nc2ccccn2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L07 compound treatment 0.047 0.035374 0.1844 0.047 0.02673 0.1485 -0.065 -0.08738 -0.4941 -0.0931 -0.1699 1204062 TimTec1_000249 CSc1c(CC(=O)NN)n(C)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L08 compound treatment -0.27 -0.28163 -1.4679 0.373 0.35273 1.9602 -0.289 -0.31138 -1.7609 -0.7324 -0.2428 1235682 TimTec1_000250 CCc1nc2[nH]nc(N)c2c3CC(C)(C)OCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L09 compound treatment 0.038 0.026374 0.1375 0.018 -0.00227 -0.0126 0.019 -0.0033798 -0.0191 0.0611 0.4381 3081877 TimTec1_000251 O=C(/C=C/N1CCOCC1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L10 compound treatment 2.803 2.7914 7.8863 2.684 2.6637 8.2696 2.322 2.2996 8.0151 13.9551 0.9998 3210003 TimTec1_000252 C[n+]1ccc(/C=C/c2cccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L11 compound treatment -0.111 -0.12263 -0.6392 -0.068 -0.08827 -0.4905 0.087 0.06462 0.3654 -0.4412 -0.4987 1338690 TimTec1_000253 CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(C)cc3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L12 compound treatment 0.067 0.055374 0.2886 -0.024 -0.04427 -0.246 0.096 0.07362 0.4163 0.265 0.4705 1654307 TimTec1_000254 CC1(C)Cc2c(C#N)c3nc(cnn3c2CO1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L13 compound treatment -0.053 -0.064626 -0.3368 0.192 0.17173 0.9543 -0.072 -0.09438 -0.5337 0.0484 0.0423 1245793 TimTec1_000255 CCc1oc2ccccc2c1C(=O)c3ccc(OC(=O)C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L14 compound treatment 0.06 0.048374 0.2521 0.081 0.06073 0.3375 0.238 0.21562 1.2194 1.0444 0.8096 3081942 TimTec1_000256 CN(C)S(=O)(=O)c1ccc(N/C=C\2/C(=C(C#N)C(=O)N(C)C2=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L15 compound treatment -0.183 -0.19463 -1.0144 -0.052 -0.07227 -0.4016 -0.043 -0.06538 -0.3697 -1.031 -0.895 1570064 TimTec1_000257 Cc1ccc2nc(Nc3ccccc3)cc(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L16 compound treatment 0.061 0.049374 0.2574 -0.045 -0.06527 -0.3627 0.049 0.02662 0.1505 0.0261 0.0556 1509985 TimTec1_000258 C=CCC1CCCCC1NC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L17 compound treatment -0.072 -0.083626 -0.4359 -0.049 -0.06927 -0.3849 0.0 -0.02238 -0.1266 -0.547 -0.9191 1455868 TimTec1_000259 COc1cccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L18 compound treatment -0.051 -0.062626 -0.3264 0.084 0.06373 0.3542 -0.131 -0.15338 -0.8674 -0.4848 -0.4886 3210004 TimTec1_000260 Fc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L19 compound treatment -0.04 -0.051626 -0.2691 0.221 0.20073 1.1155 0.032 0.0096202 0.0544 0.5201 0.4527 1369950 TimTec1_000261 CCOc1ccc2N(C)C(C)(C)c3ssc(=S)c3-c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L20 compound treatment -0.135 -0.14663 -0.7642 -0.262 -0.28227 -1.5686 0.013 -0.0093798 -0.053 -1.3775 -0.7891 3210005 TimTec1_000262 NC(=O)[C@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]3N1C=Cc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L21 compound treatment -0.119 -0.13063 -0.6809 0.012 -0.00827 -0.046 -0.079 -0.10138 -0.5733 -0.7506 -0.8422 1298997 TimTec1_000263 CCOC(=O)c1c(CNc2cccc(c2)C(=O)N)n(C)c3cc(Br)c(OC(=O)C)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L22 compound treatment 0.285 0.27337 1.4249 0.316 0.29573 1.6434 0.384 0.36162 2.045 2.9522 0.9888 1677367 TimTec1_000264 O=C(Nc1c(cnn1c2ccccc2)C(=O)N3CCCCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L23 mock treatment -0.018 -0.029626 -0.1544 0.062 0.04173 0.2319 -0.06 -0.08238 -0.4659 -0.2242 -0.4131 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 L24 mock treatment -0.031 -0.042626 -0.2222 0.106 0.08573 0.4764 0.0 -0.02238 -0.1266 0.0737 0.1363 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M01 compound treatment 0.046 0.034374 0.1792 0.041 0.02073 0.1152 -0.027 -0.04938 -0.2793 0.0087 0.0248 1321921 TimTec1_000265 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)NCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M02 compound treatment 0.159 0.14737 0.7682 3.559 3.5387 8.9739 0.232 0.20962 1.1854 6.309 0.6945 3081949 TimTec1_000266 CCC1(C)C/C(=C\C)/C(=C(N)C1(C#N)C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M03 compound treatment 0.318 0.30637 1.5969 0.516 0.49573 2.7549 0.145 0.12262 0.6934 2.9128 0.8938 1666559 TimTec1_000267 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)ncn1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M04 compound treatment 0.013 0.0013745 0.0072 0.074 0.05373 0.2986 0.13 0.10762 0.6086 0.5279 0.7787 1006470 TimTec1_000268 C[N+](C)(Cc1ccccc1)Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M05 compound treatment -0.006 -0.017626 -0.0919 0.092 0.07173 0.3986 -0.083 -0.10538 -0.5959 -0.167 -0.231 3210006 TimTec1_000269 O=S(N1CCOCC1)c2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M06 compound treatment -0.069 -0.080626 -0.4202 -0.171 -0.19127 -1.0629 0.139 0.11662 0.6595 -0.4755 -0.3604 3081952 TimTec1_000270 S=C(Nc1ccccc1)N=S(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M07 compound treatment -0.064 -0.075626 -0.3942 0.0 -0.02027 -0.1126 1.427 1.4046 6.6007 3.5183 0.532 1489996 TimTec1_000271 COC1OC2COC(OC2CC1O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M08 compound treatment 0.099 0.087374 0.4554 -0.012 -0.03227 -0.1793 0.026 0.0036202 0.0205 0.1712 0.3495 3210007 TimTec1_000272 O=C(c1ccccc1)c2cc[n+](Cc3ccccn3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M09 compound treatment 0.039 0.027374 0.1427 0.111 0.09073 0.5042 0.123 0.10062 0.569 0.702 0.9075 3210008 TimTec1_000273 Cc1ccc(/C=C/C(=O)NC(=S)N2CCN(CC2)c3ccc(F)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M10 compound treatment 0.222 0.21037 1.0965 0.48 0.45973 2.5548 0.228 0.20562 1.1628 2.7794 0.9223 1433383 TimTec1_000274 CCCOC(=S)NC1OCC(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M11 compound treatment 0.218 0.20637 1.0757 0.167 0.14673 0.8154 0.157 0.13462 0.7613 1.5314 0.9882 1720341 TimTec1_000275 O=C(Nc1ccc(cc1)c2ccccc2)C3CC3c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M12 compound treatment -0.02 -0.031626 -0.1648 0.105 0.08473 0.4709 0.097 0.07462 0.422 0.4203 0.6433 3081955 TimTec1_000276 COc1ccc(/C=C/C(=O)NC(C)(C)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M13 compound treatment -0.065 -0.076626 -0.3994 0.116 0.09573 0.532 -0.029 -0.05138 -0.2906 -0.0912 -0.1256 1475730 TimTec1_000277 CCOC(=O)c1nonc1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M14 compound treatment 0.101 0.089374 0.4658 0.104 0.08373 0.4653 0.165 0.14262 0.8065 1.0033 0.9636 3082017 TimTec1_000278 Clc1ccc(cc1)C2=NN=C(SC2)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M15 compound treatment 0.254 0.24237 1.2633 0.243 0.22273 1.2377 0.098 0.07562 0.4276 1.6909 0.9293 1344248 TimTec1_000279 CCN(CC)CCC(O)(C1CCCCC1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M16 compound treatment 0.014 0.0023745 0.0124 0.301 0.28073 1.5601 0.07 0.04762 0.2693 1.0633 0.6716 1532600 TimTec1_000280 Cc1nc2ccccc2cc1C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M17 compound treatment 0.006 -0.0056255 -0.0293 -0.066 -0.08627 -0.4794 -0.11 -0.13238 -0.7486 -0.7259 -0.8162 3210120 TimTec1_000281 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)NCCN4CCOCC4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M18 compound treatment -0.021 -0.032626 -0.1701 0.038 0.01773 0.0985 0.16 0.13762 0.7783 0.408 0.5083 1325986 TimTec1_000282 Cc1ccc(o1)C(=O)c2coc3ccc(O)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M19 compound treatment 0.404 0.39237 2.0451 0.039 0.01873 0.1041 0.582 0.55962 3.1648 3.068 0.8139 3210121 TimTec1_000283 OCC(CO)(CO)NC=C1C(=O)c2ccccc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M20 compound treatment 0.0 -0.011626 -0.0606 0.141 0.12073 0.6709 -0.153 -0.17538 -0.9918 -0.2202 -0.1837 1295715 TimTec1_000284 OC(=O)CCCc1cc2cc(Br)ccc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M21 compound treatment 0.031 0.019374 0.101 0.09 0.06973 0.3875 0.05 0.02762 0.1562 0.3722 0.8659 3210122 TimTec1_000285 Brc1ccc(/N=C(\c2ccccc2)/c3ccncc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M22 compound treatment 0.121 0.10937 0.5701 0.106 0.08573 0.4764 0.013 -0.0093798 -0.053 0.5736 0.7701 1536799 TimTec1_000286 Clc1cccc(NC(=O)NCCN2CCCCC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M23 mock treatment 0.093 0.081374 0.4241 0.02 -2.7002E-4 -0.0015 -0.053 -0.07538 -0.4263 -0.0021 -0.0035 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 M24 mock treatment -0.022 -0.033626 -0.1753 0.033 0.01273 0.0707 0.021 -0.0013798 -0.0078 -0.0649 -0.3428 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N01 compound treatment -0.187 -0.19863 -1.0353 -0.137 -0.15727 -0.874 -0.24 -0.26238 -1.4838 -1.959 -0.975 1530149 TimTec1_000287 CCCCN1CCC(CC1)(Nc2ccccc2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N02 compound treatment -0.103 -0.11463 -0.5975 -0.029 -0.04927 -0.2738 -0.054 -0.07638 -0.4319 -0.7524 -0.9567 1146434 TimTec1_000288 O=C(COC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N03 compound treatment -0.02 -0.031626 -0.1648 0.077 0.05673 0.3153 0.163 0.14062 0.7952 0.546 0.6267 1353615 TimTec1_000289 CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N04 compound treatment 0.023 0.011374 0.0593 -0.054 -0.07427 -0.4127 0.045 0.02262 0.1279 -0.1302 -0.2985 1022729 TimTec1_000290 O=C1N(C2c3ccccc3Oc4ccccc24)C(=O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N05 compound treatment -0.032 -0.043626 -0.2274 -0.095 -0.11527 -0.6406 0.045 0.02262 0.1279 -0.4273 -0.6177 3082023 TimTec1_000291 O=C1N(/N=C/c2ccccc2)C(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N06 compound treatment 0.227 0.21537 1.1226 0.096 0.07573 0.4208 0.13 0.10762 0.6086 1.2425 0.9241 3210123 TimTec1_000292 O=C(CSc1ccccn1)Nc2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N07 compound treatment 0.149 0.13737 0.716 0.24 0.21973 1.2211 -0.099 -0.12138 -0.6864 0.7221 0.459 3082025 TimTec1_000293 Cc1cc(n[nH]1)c2cc(C)[nH]n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N08 compound treatment -0.119 -0.13063 -0.6809 0.034 0.01373 0.0763 0.32 0.29762 1.6831 0.6227 0.3427 1617345 TimTec1_000294 CN1CCc2c(C1)c(NCCO)nc3[nH]nc(N)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N09 compound treatment -0.034 -0.045626 -0.2378 -0.013 -0.03327 -0.1849 0.034 0.01162 0.0657 -0.2061 -0.6685 1226159 TimTec1_000295 C(Cc1ccncc1)Nc2ccc(OCc3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N10 compound treatment -0.079 -0.090626 -0.4724 -0.058 -0.07827 -0.435 0.072 0.04962 0.2806 -0.3618 -0.5163 3210124 TimTec1_000296 COc1ccc2c(C)nc(N/C(=N/C(=O)C)/N)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N11 compound treatment 0.058 0.046374 0.2417 0.012 -0.00827 -0.046 0.013 -0.0093798 -0.053 0.0824 0.3274 1294429 TimTec1_000297 CC(=O)Nc1c(oc2ccc(Br)cc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N12 compound treatment 0.006 -0.0056255 -0.0293 0.117 0.09673 0.5375 0.006 -0.01638 -0.0926 0.2399 0.4392 3210125 TimTec1_000298 CC1(C)Cc2c(C#N)c(=S)[nH]c(N3CCOCC3)c2CS1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N13 compound treatment -0.014 -0.025626 -0.1336 -0.1 -0.12027 -0.6684 -0.08 -0.10238 -0.579 -0.7973 -0.8915 1155921 TimTec1_000299 N#CC(CCN1CCN(CC1)c2ccccc2)(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N14 compound treatment 0.116 0.10437 0.544 -0.104 -0.12427 -0.6906 -0.132 -0.15438 -0.873 -0.5887 -0.4751 1441186 TimTec1_000300 C1CCC(CC1)c2nnc(o2)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N15 compound treatment 0.02 0.0083745 0.0436 0.05 0.02973 0.1652 0.07 0.04762 0.2693 0.2761 0.8656 3210126 TimTec1_000301 CCC(C)C1=NN(C(=O)c2ccccc2)C(O)(C1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N16 compound treatment -0.084 -0.095626 -0.4984 0.037 0.01673 0.093 -0.096 -0.11838 -0.6695 -0.6206 -0.739 3082032 TimTec1_000302 Cc1ccc(cc1)c2ccc(OC(=O)c3ccccc3F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N17 compound treatment 0.02 0.0083745 0.0436 0.154 0.13373 0.7432 -0.134 -0.15638 -0.8844 -0.0563 -0.0487 1424431 TimTec1_000303 CC1=CC(C)(C)N(Cc2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N18 compound treatment -0.091 -0.10263 -0.5349 -0.044 -0.06427 -0.3572 0.045 0.02262 0.1279 -0.4412 -0.6728 3081117 TimTec1_000304 Fc1ccc(/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N19 compound treatment -0.096 -0.10763 -0.561 -0.018 -0.03827 -0.2127 -0.014 -0.03638 -0.2057 -0.5654 -0.8915 3210127 TimTec1_000305 CC(C)C(=O)N1c2ccc(C)cc2-c3c(ssc3=S)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N20 compound treatment -0.331 -0.34263 -1.7858 0.173 0.15273 0.8487 1.23 1.2076 6.1529 3.0114 0.466 3081119 TimTec1_000306 CCOc1cc(/C=C/2\SCOC2=O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N21 compound treatment 0.214 0.20237 1.0548 -0.013 -0.03327 -0.1849 -0.034 -0.05638 -0.3188 0.3182 0.2848 1693566 TimTec1_000307 CCOC(=O)c1c(C)n(C)c2ccc(O)c(c12)S(=O)(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N22 compound treatment -0.144 -0.15563 -0.8112 0.027 0.00673 0.0374 0.046 0.02362 0.1336 -0.3696 -0.4491 1465551 TimTec1_000308 Fc1ccc(CC(=O)NC2CCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N23 mock treatment -0.032 -0.043626 -0.2274 0.0 -0.02027 -0.1126 -0.015 -0.03738 -0.2114 -0.3184 -0.9639 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 N24 mock treatment 0.07 0.058374 0.3043 -0.03 -0.05027 -0.2794 0.032 0.0096202 0.0544 0.0458 0.1099 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O01 compound treatment -0.421 -0.43263 -2.2549 -0.278 -0.29827 -1.6575 0.007 -0.01538 -0.087 -2.3091 -0.8247 1586093 TimTec1_000309 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O02 compound treatment -0.075 -0.086626 -0.4515 -0.193 -0.21327 -1.1852 -0.088 -0.11038 -0.6242 -1.3053 -0.9234 1502323 TimTec1_000310 Nc1nc2CCCc2c(c1C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O03 compound treatment -0.101 -0.11263 -0.587 -0.045 -0.06527 -0.3627 -0.063 -0.08538 -0.4828 -0.8271 -0.9821 3210128 TimTec1_000311 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O04 compound treatment 0.026 0.014374 0.0749 0.174 0.15373 0.8543 0.255 0.23262 1.3155 1.296 0.8253 1176923 TimTec1_000312 C[N+](C)(CCC#N)Cc1cccc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O05 compound treatment 0.038 0.026374 0.1375 -0.049 -0.06927 -0.3849 0.224 0.20162 1.1402 0.5154 0.4255 3081123 TimTec1_000313 S=C(SN1CCOCC1)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O06 compound treatment -0.012 -0.023626 -0.1231 0.169 0.14873 0.8265 0.006 -0.01638 -0.0926 0.3526 0.4194 1002693 TimTec1_000314 COC1OC2COC(OC2C(O)C1O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O07 compound treatment 0.022 0.010374 0.0541 0.023 0.00273 0.0152 0.059 0.03662 0.2071 0.1595 0.7435 1507393 TimTec1_000315 CCCOC(=S)NC1OCC(OC(=O)C)C(OC(=O)C)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O08 compound treatment 0.129 0.11737 0.6118 0.0 -0.02027 -0.1126 0.119 0.09662 0.5464 0.6036 0.7291 3081125 TimTec1_000316 C(c1ccccc1)c2ccc[n+](Cc3ccccn3)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O09 compound treatment 0.007 -0.0046255 -0.0241 -0.077 -0.09727 -0.5405 0.07 0.04762 0.2693 -0.1705 -0.2821 3210129 TimTec1_000317 Cc1cc(C)n(n1)C(=O)COc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O10 compound treatment 0.106 0.094374 0.4919 0.215 0.19473 1.0821 -0.061 -0.08338 -0.4715 0.6365 0.4978 1676440 TimTec1_000318 CC12CCC3C(CC=C4CC(CCC34C)OC5CCCCO5)C2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O11 compound treatment 0.013 0.0013745 0.0072 -0.071 -0.09127 -0.5072 -0.045 -0.06738 -0.381 -0.5087 -0.8018 1921096 TimTec1_000319 O=C1NC(=O)C2(COC(OC2)c3ccccc3)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O12 compound treatment -0.132 -0.14363 -0.7486 -0.171 -0.19127 -1.0629 -0.162 -0.18438 -1.0427 -1.6479 -0.9888 3081128 TimTec1_000320 COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O13 compound treatment -0.027 -0.038626 -0.2013 0.056 0.03573 0.1986 -0.055 -0.07738 -0.4376 -0.2542 -0.488 3081129 TimTec1_000321 COc1nonc1NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O14 compound treatment -0.081 -0.092626 -0.4828 -0.028 -0.04827 -0.2682 -0.034 -0.05638 -0.3188 -0.6177 -0.9686 1215803 TimTec1_000322 CN(C)CCSc1nc2ccccc2c(=O)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O15 compound treatment 0.075 0.063374 0.3303 -0.016 -0.03627 -0.2016 -0.083 -0.10538 -0.5959 -0.2697 -0.3796 1134169 TimTec1_000323 COc1ccc(c2nc3nnc(C)n3[nH]2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O16 compound treatment -0.155 -0.16663 -0.8685 -0.024 -0.04427 -0.246 0.197 0.17462 0.9875 -0.0733 -0.0548 1165035 TimTec1_000324 CCOC(=O)c1c(CN2CCCCC2)n(c3ccccc3)c4ccc(OC(=O)C)cc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O17 compound treatment -0.045 -0.056626 -0.2951 0.223 0.20273 1.1266 -0.024 -0.04638 -0.2623 0.3286 0.2753 3210130 TimTec1_000325 CC(=O)Nc1ccc(/N=C/c2ccc(cc2)N3CCOCC3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O18 compound treatment -0.019 -0.030626 -0.1596 0.125 0.10473 0.582 0.222 0.19962 1.1289 0.8956 0.6997 1656585 TimTec1_000326 OC(=O)C(Cc1ccsc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O19 compound treatment 0.209 0.19737 1.0288 -0.117 -0.13727 -0.7628 0.338 0.31562 1.7849 1.184 0.539 3081133 TimTec1_000327 CC1(C)CC(=O)C(=CNC(CO)(CO)CO)C(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O20 compound treatment -0.145 -0.15663 -0.8164 -0.17 -0.19027 -1.0574 -0.078 -0.10038 -0.5677 -1.4095 -0.9711 3210131 TimTec1_000328 CCOC(=O)c1c(CNC(C)C)oc2ccc(OC)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O21 compound treatment 0.319 0.30737 1.6021 -0.238 -0.25827 -1.4352 -0.085 -0.10738 -0.6073 -0.2543 -0.1138 3210132 TimTec1_000329 Cc1ccc(C)c(c1)[C@H]2[C@@H](N3C(C=Cc4ccccc34)C2(C#N)C#N)C(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O22 compound treatment 0.047 0.035374 0.1844 -0.139 -0.15927 -0.8851 0.051 0.02862 0.1619 -0.3111 -0.3387 1145302 TimTec1_000330 CCOC(=O)c1c(C)n(C2CCCCC2)c3ccc(O)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O23 mock treatment -0.037 -0.048626 -0.2534 -0.025 -0.04527 -0.2516 -0.033 -0.05538 -0.3132 -0.4724 -0.9945 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 O24 mock treatment 0.143 0.13137 0.6848 -0.012 -0.03227 -0.1793 0.122 0.09962 0.5634 0.6171 0.6821 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P01 compound treatment -0.028 -0.039626 -0.2065 -0.111 -0.13127 -0.7295 -0.059 -0.08138 -0.4602 -0.8061 -0.9089 1004729 TimTec1_000331 COC(=O)c1ccccc1C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P02 compound treatment 0.335 0.32337 1.6855 0.518 0.49773 2.766 0.2 0.17762 1.0045 3.15 0.9289 3210133 TimTec1_000332 O=C(Oc1cc(OC(=O)c2ccco2)cc(OC(=O)c3ccco3)c1)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P03 compound treatment 0.202 0.19037 0.9923 -0.018 -0.03827 -0.2127 -0.012 -0.03438 -0.1944 0.3379 0.327 3081813 TimTec1_000333 CCOC(=O)Cc1c(SC)c2ccccc2n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P04 compound treatment -0.023 -0.034626 -0.1805 -0.037 -0.05727 -0.3183 0.241 0.21862 1.2363 0.4259 0.3303 3081814 TimTec1_000334 CCN(CC)CCOc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P05 compound treatment -0.006 -0.017626 -0.0919 -0.086 -0.10627 -0.5906 -0.076 -0.09838 -0.5564 -0.7152 -0.8759 3210134 TimTec1_000335 O=C(Cc1ccccc1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P06 compound treatment 0.24 0.22837 1.1903 -0.046 -0.06627 -0.3683 0.489 0.46662 2.6388 1.9981 0.6847 1158366 TimTec1_000336 O=C(Nc1ccccc1)C(=S)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P07 compound treatment 0.048 0.036374 0.1896 0.137 0.11673 0.6487 -0.031 -0.05338 -0.3019 0.3097 0.4184 1365315 TimTec1_000337 CCOC(=O)c1c(COC(=O)C)n(C)c2cc(Br)c(OC)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P08 compound treatment -0.006 -0.017626 -0.0919 0.16 0.13973 0.7765 0.178 0.15562 0.8801 0.9034 0.7674 1268733 TimTec1_000338 Nc1c(N2CCN(CC2)c3ccccc3)c4ccccc4oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P09 compound treatment 0.064 0.052374 0.273 0.029 0.00873 0.0485 0.265 0.24262 1.3721 0.9778 0.6985 1047274 TimTec1_000339 CC(=O)Nc1ccc(OCc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P10 compound treatment 0.21 0.19837 1.034 0.387 0.36673 2.038 0.303 0.28062 1.587 2.6898 0.9668 1459196 TimTec1_000340 CCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P11 compound treatment 0.076 0.064374 0.3355 0.204 0.18373 1.021 0.123 0.10062 0.569 1.1117 0.9142 1347458 TimTec1_000341 CCOC(=O)c1oc2ccccc2c1NC(=O)CCN3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P12 compound treatment 0.0 -0.011626 -0.0606 0.052 0.03173 0.1763 -0.05 -0.07238 -0.4093 -0.1695 -0.3769 1693186 TimTec1_000342 Cc1nn2c(=O)c3CCCc3[nH]c2c1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P13 compound treatment -0.054 -0.065626 -0.3421 -0.058 -0.07827 -0.435 -0.007 -0.02938 -0.1661 -0.5445 -0.9425 1228757 TimTec1_000343 CC1(C)CC(=O)c2c(c([nH]c2C1)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P14 compound treatment 0.282 0.27037 1.4093 0.165 0.14473 0.8043 0.041 0.01862 0.1053 1.3388 0.8233 3081883 TimTec1_000344 NCCCc1nc2cc3sc(CCCN)nc3cc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P15 compound treatment 0.013 0.0013745 0.0072 -0.006 -0.02627 -0.146 0.044 0.02162 0.1223 -0.0096 -0.0502 1650512 TimTec1_000345 CC1=NN(C(=O)Cc2ccccc2)C(O)(C1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P16 compound treatment 0.111 0.099374 0.518 0.069 0.04873 0.2708 0.09 0.06762 0.3824 0.6762 0.9681 3081885 TimTec1_000346 N#Cc1ccc(C#N)c(c1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P17 compound treatment 0.113 0.10137 0.5284 0.025 0.00473 0.0263 0.018 -0.0043798 -0.0248 0.3059 0.5777 3081886 TimTec1_000347 Cc1ccc(cc1)C2=C/C(=C/3\OC(=O)c4ccccc34)/C(=O)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P18 compound treatment -0.107 -0.11863 -0.6183 -0.05 -0.07027 -0.3905 0.0 -0.02238 -0.1266 -0.6555 -0.8832 3210253 TimTec1_000348 COC(=O)NC(Nc1ccccc1C(F)(F)F)C(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P19 compound treatment -0.021 -0.032626 -0.1701 -0.073 -0.09327 -0.5183 0.117 0.09462 0.5351 -0.0885 -0.1158 1111738 TimTec1_000349 Cc1nc(NC(=N)N)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P20 compound treatment 0.212 0.20037 1.0444 0.237 0.21673 1.2044 0.006 -0.01638 -0.0926 1.2449 0.7796 1449841 TimTec1_000350 OC(=O)CCN1C(=O)C2C(C3c4ccccc4C2c5ccccc35)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P21 compound treatment 0.017 0.0053745 0.028 -0.018 -0.03827 -0.2127 3.21 3.1876 8.872 5.0157 0.5652 1530469 TimTec1_000351 O=C(CSc1nc2ccccc2s1)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P22 compound treatment 0.325 0.31337 1.6334 0.28 0.25973 1.4434 0.255 0.23262 1.3155 2.5359 0.996 1494539 TimTec1_000352 CCCN(CCC)C(=O)c1cnn(c1NC(=O)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P23 mock treatment -0.268 -0.27963 -1.4575 -0.164 -0.18427 -1.024 -0.297 -0.31938 -1.8062 -2.4755 -0.9758 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2063 P24 mock treatment 0.178 0.16637 0.8672 0.057 0.03673 0.2041 0.056 0.03362 0.1901 0.7283 0.7995 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A01 compound treatment -0.042 -0.053626 -0.2795 -0.056 -0.07627 -0.4238 -0.014 -0.03638 -0.2057 -0.5249 -0.9581 3081276 TimTec1_000705 CN(C)C(=O)c1cc(Cl)ccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A02 compound treatment 0.152 0.14037 0.7317 -0.029 -0.04927 -0.2738 0.098 0.07562 0.4276 0.5112 0.574 1727664 TimTec1_000706 Cc1cccc(NC(=O)c2cnn(c2NC(=O)c3ccco3)c4ccccc4)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A03 compound treatment 0.278 0.26637 1.3884 0.34 0.31973 1.7768 0.223 0.20062 1.1345 2.4825 0.9834 1225534 TimTec1_000707 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A04 compound treatment -0.053 -0.064626 -0.3368 0.07 0.04973 0.2764 0.062 0.03962 0.2241 0.0944 0.1928 3211034 TimTec1_000708 COC(=O)CSc1nc(ccc1C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A05 compound treatment 0.025 0.013374 0.0697 0.096 0.07573 0.4208 0.076 0.05362 0.3032 0.4583 0.8757 1669652 TimTec1_000709 O=C(CSc1nc2ccccc2o1)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A06 compound treatment -0.028 -0.039626 -0.2065 0.088 0.06773 0.3764 0.0 -0.02238 -0.1266 0.025 0.0558 1013954 TimTec1_000710 COC(=O)c1cccc(c1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A07 compound treatment -0.107 -0.11863 -0.6183 0.09 0.06973 0.3875 -0.113 -0.13538 -0.7656 -0.5753 -0.5439 1089954 TimTec1_000711 OC(=O)c1ccc(Oc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A08 compound treatment -0.132 -0.14363 -0.7486 0.114 0.09373 0.5209 0.09 0.06762 0.3824 0.0893 0.0903 1005718 TimTec1_000712 OC(=O)CCC(=O)OCc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A09 compound treatment -0.331 -0.34263 -1.7858 -0.063 -0.08327 -0.4627 -0.198 -0.22038 -1.2463 -2.0178 -0.9063 1474924 TimTec1_000713 CN(C)Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A10 compound treatment -0.224 -0.23563 -1.2281 -0.019 -0.03927 -0.2182 -0.219 -0.24138 -1.365 -1.6232 -0.8778 3211035 TimTec1_000714 Oc1cccc(/N=C/c2cc(Br)ccc2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A11 compound treatment 0.029 0.017374 0.0906 -0.029 -0.04927 -0.2738 -0.085 -0.10738 -0.6073 -0.4564 -0.6789 3081282 TimTec1_000715 Cc1ccc(O)c(c1)C2=Nc3ccccc3N=C(C2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A12 compound treatment -0.074 -0.085626 -0.4463 -0.055 -0.07527 -0.4183 -0.111 -0.13338 -0.7543 -0.9347 -0.9624 1433969 TimTec1_000716 Cc1cccc(c1)C(=O)NN(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A13 compound treatment -0.016 -0.027626 -0.144 -0.057 -0.07727 -0.4294 -0.134 -0.15638 -0.8844 -0.8416 -0.8471 1483255 TimTec1_000717 CC(=O)Nc1cccc2ncccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A14 compound treatment -0.007 -0.018626 -0.0971 -0.007 -0.02727 -0.1515 -0.023 -0.04538 -0.2566 -0.2917 -0.9306 1158197 TimTec1_000718 COc1ccc(cc1)C(=O)Nc2ccc(C)c(C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A15 compound treatment 0.43 0.41837 2.1807 0.259 0.23873 1.3267 0.355 0.33262 1.881 3.111 0.9811 3211036 TimTec1_000719 C/C(=N\n1cnnc1)/CC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A16 compound treatment 0.09 0.078374 0.4085 0.2 0.17973 0.9988 -0.006 -0.02838 -0.1605 0.7198 0.6598 1075886 TimTec1_000720 FC(F)(F)c1cccc(NS(=O)(=O)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A17 compound treatment -0.03 -0.041626 -0.217 -0.123 -0.14327 -0.7962 0.327 0.30462 1.7227 0.4097 0.2145 1922764 TimTec1_000721 OC(=O)c1cc(/N=C/c2ccccc2O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A18 compound treatment -0.101 -0.11263 -0.587 -0.156 -0.17627 -0.9796 0.076 0.05362 0.3032 -0.7294 -0.6173 1340286 TimTec1_000722 COc1ccc(cc1)S(=O)(=O)Nc2cc(C)cc(C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A19 compound treatment 0.0 -0.011626 -0.0606 0.071 0.05073 0.2819 0.152 0.12962 0.733 0.551 0.6995 1715796 TimTec1_000723 CCOC(=O)c1c(CSc2nc(C)ccc2C#N)oc3ccc(OC(=O)C)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A20 compound treatment 0.007 -0.0046255 -0.0241 -0.281 -0.30127 -1.6742 0.413 0.39062 2.209 0.2949 0.1064 3211037 TimTec1_000724 COC(=O)C1=C(N)C(=c2s/c(=C/c3ccccc3)/c(=O)n2C1c4ccccc4)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A21 compound treatment -0.042 -0.053626 -0.2795 0.123 0.10273 0.5709 -0.074 -0.09638 -0.545 -0.1465 -0.1749 3081301 TimTec1_000725 NC1=C(C#N)[C@@H]([C@H](S1)C(=O)c2ccccc2)c3ccc(Br)c(F)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A22 compound treatment -0.013 -0.024626 -0.1284 -0.101 -0.12127 -0.6739 -0.072 -0.09438 -0.5337 -0.7713 -0.8874 1561863 TimTec1_000726 O=C(Nc1nc(nc2CCCC(=O)c12)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A23 mock treatment 0.127 0.11537 0.6014 0.037 0.01673 0.093 -0.041 -0.06338 -0.3584 0.1939 0.2746 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 A24 mock treatment 0.015 0.0033745 0.0176 -0.03 -0.05027 -0.2794 0.117 0.09462 0.5351 0.1578 0.2613 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B01 compound treatment -0.114 -0.12563 -0.6548 -0.052 -0.07227 -0.4016 0.318 0.29562 1.6718 0.3553 0.1931 3081303 TimTec1_000727 Cc1cccc[n+]1C2[C@H](C(=C(S)N[C@]2(C)O)C#N)c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B02 compound treatment -0.07 -0.081626 -0.4255 -0.022 -0.04227 -0.2349 -0.007 -0.02938 -0.1661 -0.4772 -0.9291 3211038 TimTec1_000728 CC1C(CC(C(=O)O)C1(C)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B03 compound treatment -0.078 -0.089626 -0.4671 0.0 -0.02027 -0.1126 0.076 0.05362 0.3032 -0.1597 -0.281 3211039 TimTec1_000729 CC1=COC=C(/C=N/Cc2ccccc2)N1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B04 compound treatment -0.107 -0.11863 -0.6183 0.158 0.13773 0.7654 0.02 -0.0023798 -0.0135 0.0771 0.0784 3081306 TimTec1_000730 O=C(CSC#N)c1cccs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B05 compound treatment 0.056 0.044374 0.2313 -0.18 -0.20027 -1.1129 0.108 0.08562 0.4842 -0.2295 -0.1857 1225786 TimTec1_000731 COc1cccc2c1N(C3CC(C)CCC3C2(C)C)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B06 compound treatment 0.079 0.067374 0.3512 -0.148 -0.16827 -0.9351 0.026 0.0036202 0.0205 -0.3253 -0.3256 1605606 TimTec1_000732 c1ccc(nc1)c2ccc3ccccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B07 compound treatment 0.151 0.13937 0.7265 -0.076 -0.09627 -0.535 0.046 0.02362 0.1336 0.1877 0.2058 1478193 TimTec1_000733 CCC(=O)Nc1ncc2C(=O)CC(C)(C)Cc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B08 compound treatment -0.012 -0.023626 -0.1231 0.024 0.00373 0.0207 -0.119 -0.14138 -0.7995 -0.5207 -0.6435 3081309 TimTec1_000734 COc1ccc(cc1)/C(=N/O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B09 compound treatment -0.032 -0.043626 -0.2274 0.044 0.02373 0.1319 -0.02 -0.04238 -0.2397 -0.1935 -0.544 3211040 TimTec1_000735 CCOC(=O)Cc1n[nH]c(CC(=O)OCC)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B10 compound treatment -0.083 -0.094626 -0.4932 -0.252 -0.27227 -1.513 -0.114 -0.13638 -0.7713 -1.6036 -0.9068 3081311 TimTec1_000736 Nc1ccc2nn(nc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B11 compound treatment 0.025 0.013374 0.0697 -0.029 -0.04927 -0.2738 -0.009 -0.03138 -0.1775 -0.2203 -0.6602 1090166 TimTec1_000737 CN(C)c1c(C)n(C)n(c2ccccc2)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B12 compound treatment 0.054 0.042374 0.2209 0.006 -0.01427 -0.0793 -0.11 -0.13238 -0.7486 -0.3505 -0.4467 3081313 TimTec1_000738 CCOc1ccc(cc1)C(=O)N2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B13 compound treatment 0.338 0.32637 1.7011 0.194 0.17373 0.9654 -0.102 -0.12438 -0.7034 1.1335 0.5453 3211041 TimTec1_000739 COc1cccc(/C=N/n2cnnc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B14 compound treatment -0.033 -0.044626 -0.2326 0.029 0.00873 0.0485 0.648 0.62562 3.538 1.9364 0.5461 3211042 TimTec1_000740 C[N+]1(C/C=C\2/COCO2)CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B15 compound treatment -0.057 -0.068626 -0.3577 0.27 0.24973 1.3878 0.191 0.16862 0.9536 1.1453 0.6653 1498488 TimTec1_000741 COc1ccc(CC(=O)NC2CCCCC2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B16 compound treatment 0.098 0.086374 0.4502 -0.052 -0.07227 -0.4016 0.078 0.05562 0.3145 0.2097 0.3081 3211043 TimTec1_000742 OC(=O)c1cc(/C=N/n2cnnc2)c3OCOCc3c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B17 compound treatment -0.024 -0.035626 -0.1857 -0.013 -0.03327 -0.1849 0.048 0.02562 0.1449 -0.1303 -0.4352 3211044 TimTec1_000743 Cc1nc(cs1)C2C(Oc3c(O)c(O)ccc3C2=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B18 compound treatment 0.122 0.11037 0.5753 -0.045 -0.06527 -0.3627 0.255 0.23262 1.3155 0.8822 0.5957 3081317 TimTec1_000744 OC(CN1CC2CC(C1)c3cccc(=O)n3C2)/C=N/n4cnnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B19 compound treatment 0.039 0.027374 0.1427 0.042 0.02173 0.1208 0.057 0.03462 0.1958 0.2651 0.9795 3081354 TimTec1_000745 C(/C=C\c1ccccc1)N2CCN(Cn3nnc4ccccc34)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B20 compound treatment -0.076 -0.087626 -0.4567 -0.01 -0.03027 -0.1682 0.862 0.83962 4.7482 2.3806 0.4987 3081321 TimTec1_000746 CC(CN1CC2CC(C1)c3cccc(=O)n3C2)SC(=N)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B21 compound treatment 0.032 0.020374 0.1062 -0.122 -0.14227 -0.7906 0.018 -0.0043798 -0.0248 -0.4095 -0.513 1281576 TimTec1_000747 CN(C1CCCCC1)S(=O)(=O)c2ccc(NC(=O)C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B22 compound treatment 0.063 0.051374 0.2678 0.058 0.03773 0.2097 0.125 0.10262 0.5803 0.6107 0.9079 1293326 TimTec1_000748 CC1(C)CC(=O)C2=C(C1)Nc3ccc4ccccc4c3C2c5cccnc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B23 mock treatment 0.12 0.10837 0.5649 -0.018 -0.03827 -0.2127 0.025 0.0026202 0.0148 0.2119 0.351 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 B24 mock treatment 0.108 0.096374 0.5023 -0.017 -0.03727 -0.2071 -0.161 -0.18338 -1.037 -0.4283 -0.3658 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C01 compound treatment 0.127 0.11537 0.6014 -0.019 -0.03927 -0.2182 -0.031 -0.05338 -0.3019 0.0469 0.0663 3081323 TimTec1_000749 CC1CCN(CC1)C(=O)c2cc(Cl)ccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C02 compound treatment 0.026 0.014374 0.0749 -0.065 -0.08527 -0.4739 0.007 -0.01538 -0.087 -0.2805 -0.5754 1165155 TimTec1_000750 CCN(CC)C(=O)c1cnn(c1NC(=O)c2ccco2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C03 compound treatment 0.124 0.11237 0.5857 -0.027 -0.04727 -0.2627 0.129 0.10662 0.603 0.5346 0.607 3081325 TimTec1_000751 CCN(CC)c1ccc(/C=N/O)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C04 compound treatment -0.05 -0.061626 -0.3212 -0.065 -0.08527 -0.4739 0.31 0.28762 1.6265 0.4801 0.2784 1058529 TimTec1_000752 OC(=O)c1ccccc1N2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C05 compound treatment -0.056 -0.067626 -0.3525 -0.109 -0.12927 -0.7184 0.106 0.08362 0.4729 -0.3452 -0.3714 1643767 TimTec1_000753 CSc1nc2ccccc2n1CC(=O)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C06 compound treatment -0.055 -0.066626 -0.3473 0.072 0.05173 0.2875 0.052 0.02962 0.1675 0.0622 0.1293 1016928 TimTec1_000754 CC(C)CNC(=O)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C07 compound treatment -0.147 -0.15863 -0.8268 0.059 0.03873 0.2152 -0.155 -0.17738 -1.0031 -0.9322 -0.7075 3211045 TimTec1_000755 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C08 compound treatment -0.099 -0.11063 -0.5766 -0.168 -0.18827 -1.0462 -0.02 -0.04238 -0.2397 -1.0753 -0.8826 1586419 TimTec1_000756 CC1CC2OC(C)(C)OC2C(OC(=O)c3ccccc3)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C09 compound treatment 0.078 0.066374 0.346 0.019 -0.00127 -0.0071 0.103 0.08062 0.4559 0.4589 0.8017 1233022 TimTec1_000757 CC(C)CCOc1ccccc1C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C10 compound treatment -0.054 -0.065626 -0.3421 0.0 -0.02027 -0.1126 0.132 0.10962 0.6199 0.0954 0.1331 3081330 TimTec1_000758 Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C11 compound treatment -0.096 -0.10763 -0.561 -0.049 -0.06927 -0.3849 -0.128 -0.15038 -0.8504 -1.0371 -0.9523 3211046 TimTec1_000759 FC(F)(F)c1cc(no1)c2ccc3ccccc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C12 compound treatment -0.115 -0.12663 -0.66 -0.11 -0.13027 -0.7239 -0.112 -0.13438 -0.7599 -1.2378 -0.9983 3081332 TimTec1_000760 Cc1cccc(c1)C(=O)N(CC#N)CC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C13 compound treatment 0.182 0.17037 0.888 0.075 0.05473 0.3041 -0.05 -0.07238 -0.4093 0.452 0.4414 3211047 TimTec1_000761 O=C(NN1C(=O)c2ccccc2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C14 compound treatment 0.027 0.015374 0.0801 0.11 0.08973 0.4986 0.021 -0.0013798 -0.0078 0.3297 0.6526 1022870 TimTec1_000762 O=C(NCc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C15 compound treatment 0.321 0.30937 1.6125 0.231 0.21073 1.1711 -0.24 -0.26238 -1.4838 0.7504 0.302 3211048 TimTec1_000763 C(=N/c1cccnc1)\c2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C16 compound treatment -0.199 -0.21063 -1.0978 -0.076 -0.09627 -0.535 0.105 0.08262 0.4672 -0.673 -0.5147 1045873 TimTec1_000764 O=S(=O)(NCCc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C17 compound treatment -0.195 -0.20663 -1.077 -0.035 -0.05527 -0.3071 -0.196 -0.21838 -1.235 -1.5121 -0.907 3211049 TimTec1_000765 Cc1c(/N=C/c2cccc(C)c2)c(=O)n(c3ccccc3)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C18 compound treatment 0.041 0.029374 0.1531 0.075 0.05473 0.3041 0.287 0.26462 1.4965 1.128 0.735 1634239 TimTec1_000766 O=C(CCCC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C19 compound treatment 0.272 0.26037 1.3571 -0.032 -0.05227 -0.2905 -0.02 -0.04238 -0.2397 0.4775 0.339 3081336 TimTec1_000767 O=C(CSc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C20 compound treatment -0.006 -0.017626 -0.0919 0.058 0.03773 0.2097 0.271 0.24862 1.406 0.8798 0.6176 1173423 TimTec1_000768 CCOC(=O)C1=C(C(=O)c2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C21 compound treatment 0.128 0.11637 0.6066 0.145 0.12473 0.6931 0.26 0.23762 1.3438 1.5262 0.9368 1130405 TimTec1_000769 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32CCN(Cc4ccccc4)CC3)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C22 compound treatment 0.03 0.018374 0.0958 0.051 0.03073 0.1708 0.114 0.09162 0.5181 0.453 0.8179 3211050 TimTec1_000770 Cc1cc(c2c(n1)sc3c(=O)[nH]c(C)nc32)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C23 mock treatment 0.089 0.077374 0.4033 -0.066 -0.08627 -0.4794 -0.039 -0.06138 -0.3471 -0.2444 -0.3412 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 C24 mock treatment 0.078 0.066374 0.346 0.012 -0.00827 -0.046 0.181 0.15862 0.897 0.6911 0.718 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D01 compound treatment -0.034 -0.045626 -0.2378 -0.163 -0.18327 -1.0185 0.252 0.22962 1.2985 0.0244 0.0146 1332544 TimTec1_000771 CCCN1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D02 compound treatment 0.007 -0.0046255 -0.0241 -0.019 -0.03927 -0.2182 0.056 0.03362 0.1901 -0.0301 -0.1038 1267101 TimTec1_000772 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D03 compound treatment -0.144 -0.15563 -0.8112 -0.101 -0.12127 -0.6739 -0.272 -0.29438 -1.6648 -1.8186 -0.9228 3211051 TimTec1_000773 C(/N=C/C1=CSC=CN1c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D04 compound treatment 0.064 0.052374 0.273 0.057 0.03673 0.2041 0.123 0.10062 0.569 0.604 0.9106 1527522 TimTec1_000774 S=c1n(CN2CCCCC2)nc(c3ccccc3)n1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D05 compound treatment -0.113 -0.12463 -0.6496 -0.061 -0.08127 -0.4516 0.063 0.04062 0.2297 -0.5032 -0.6108 1323715 TimTec1_000775 CC1C=C(C)C2C(C)C1COC2c3ccc(OC(=O)NC4CCCCC4)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D06 compound treatment -0.011 -0.022626 -0.1179 -0.065 -0.08527 -0.4739 0.053 0.03062 0.1732 -0.2417 -0.4665 1445377 TimTec1_000776 CC12CCC(C(=O)CO)C2(C)CCC3(C)C4(C)CCC(=O)C=C4CCC13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D07 compound treatment -0.168 -0.17963 -0.9363 0.039 0.01873 0.1041 0.013 -0.0093798 -0.053 -0.5111 -0.5417 3209076 TimTec1_000777 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N(Cc3ccccc3)Cc4ccccc4)c5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D08 compound treatment 0.06 0.048374 0.2521 -0.121 -0.14127 -0.7851 0.184 0.16162 0.914 0.22 0.1787 1519326 TimTec1_000778 CCOC(=O)C1=C(CC2=C1CCCC2)NC(=S)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D09 compound treatment -0.085 -0.096626 -0.5036 -0.03 -0.05027 -0.2794 -0.15 -0.17238 -0.9748 -1.0149 -0.8963 1679838 TimTec1_000779 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D10 compound treatment -0.196 -0.20763 -1.0822 -0.074 -0.09427 -0.5239 -0.101 -0.12338 -0.6977 -1.3301 -0.9568 1574797 TimTec1_000780 CCCC(=O)Nc1ccc(N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D11 compound treatment 0.171 0.15937 0.8307 -0.056 -0.07627 -0.4238 -0.117 -0.13938 -0.7882 -0.2202 -0.1803 3209077 TimTec1_000781 CCOC(=O)c1c(NC(=O)OC)sc2CCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D12 compound treatment 0.117 0.10537 0.5492 -0.013 -0.03327 -0.1849 0.013 -0.0093798 -0.053 0.1797 0.3088 1560316 TimTec1_000782 CCOC(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D13 compound treatment 0.075 0.063374 0.3303 0.364 0.34373 1.9102 0.035 0.01262 0.0714 1.3348 0.6881 3081341 TimTec1_000783 Nc1nc(nc(n1)C(F)(F)F)N(Cc2ccccc2)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D14 compound treatment 0.224 0.21237 1.1069 0.271 0.25073 1.3933 -0.032 -0.05438 -0.3075 1.266 0.701 3209078 TimTec1_000784 Cc1ccoc1CC[N+](C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D15 compound treatment -0.037 -0.048626 -0.2534 -0.306 -0.32627 -1.8131 0.076 0.05362 0.3032 -1.0181 -0.5486 1672714 TimTec1_000785 COc1ccccc1CC(=O)N(CC=C)CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D16 compound treatment 0.232 0.22037 1.1486 0.067 0.04673 0.2597 0.11 0.08762 0.4955 1.0992 0.8603 3209079 TimTec1_000786 C1COc2cccc(/C=N\n3cnnc3)c2OC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D17 compound treatment 0.155 0.14337 0.7473 0.012 -0.00827 -0.046 0.023 6.2023E-4 0.0035 0.4069 0.5435 3209080 TimTec1_000787 CCC(O)c1ccc2c(=O)c(coc2c1)c3ccccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D18 compound treatment 0.5 0.48837 2.5455 -0.049 -0.06927 -0.3849 0.222 0.19962 1.1289 1.8992 0.6756 3209081 TimTec1_000788 Cc1c(/N=C/C(O)CN2CC3CC(C2)c4cccc(=O)n4C3)c(=O)n(c5ccccc5)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D19 compound treatment -0.091 -0.10263 -0.5349 -0.027 -0.04727 -0.2627 -0.101 -0.12338 -0.6977 -0.8633 -0.9409 3081342 TimTec1_000789 CC(C)Cc1ccc(/C=C/C(=O)N2CCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D20 compound treatment 0.108 0.096374 0.5023 0.086 0.06573 0.3653 -0.671 -0.69338 -3.9212 -1.763 -0.4441 3081343 TimTec1_000790 CC(=O)N1CCCCC1c2cccnc2.[O-][N+](=O)O[Ag] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D21 compound treatment 0.049 0.037374 0.1948 0.057 0.03673 0.2041 0.069 0.04662 0.2636 0.3825 0.9906 1588159 TimTec1_000791 CS(=O)(=O)Nc1ccc2CCc3cccc1c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D22 compound treatment 0.138 0.12637 0.6587 -0.007 -0.02727 -0.1515 0.024 0.0016202 0.0092 0.2981 0.441 1287290 TimTec1_000792 COC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D23 mock treatment 0.185 0.17337 0.9037 0.112 0.09173 0.5098 0.063 0.04062 0.2297 0.9487 0.8927 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 D24 mock treatment -0.081 -0.092626 -0.4828 -0.1 -0.12027 -0.6684 -0.077 -0.09938 -0.562 -0.9891 -0.9913 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E01 compound treatment 0.024 0.012374 0.0645 0.053 0.03273 0.1819 -0.333 -0.35538 -2.0097 -1.0181 -0.5043 1535367 TimTec1_000793 CCC(C)c1ccc(NC(=O)c2ccc(cc2)N(CC)CC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E02 compound treatment 0.075 0.063374 0.3303 -0.007 -0.02727 -0.1515 0.021 -0.0013798 -0.0078 0.0987 0.2716 1215550 TimTec1_000794 CC(C)(C)C(=O)Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E03 compound treatment -0.058 -0.069626 -0.3629 0.345 0.32473 1.8046 -0.022 -0.04438 -0.251 0.6874 0.37 1689344 TimTec1_000795 Clc1ccc(cc1)C(=O)COC(=O)c2cccc(NC(=O)Cc3ccccc3)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E04 compound treatment 0.019 0.0073745 0.0384 -0.006 -0.02627 -0.146 0.039 0.01662 0.094 -0.0078 -0.044 3209082 TimTec1_000796 O(c1ccccc1)c2ccc(/C=N/c3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E05 compound treatment 0.425 0.41337 2.1546 0.368 0.34773 1.9324 0.102 0.07962 0.4503 2.6196 0.8944 3081345 TimTec1_000797 NC(CSCc1oc(cc1C(=O)O)c2ccccc2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E06 compound treatment 0.064 0.052374 0.273 0.224 0.20373 1.1322 -0.026 -0.04838 -0.2736 0.6533 0.5461 1921518 TimTec1_000798 COc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E07 compound treatment 0.026 0.014374 0.0749 -0.072 -0.09227 -0.5128 -0.057 -0.07938 -0.4489 -0.512 -0.7467 1601233 TimTec1_000799 OC(=O)C1C(C2CCC1C2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E08 compound treatment -0.021 -0.032626 -0.1701 0.307 0.28673 1.5934 0.24 0.21762 1.2307 1.5323 0.7584 3081347 TimTec1_000800 CCOC1(C)OC2CCC(CC)OC2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E09 compound treatment -0.036 -0.047626 -0.2482 0.074 0.05373 0.2986 0.012 -0.01038 -0.0587 -0.0048 -0.0123 3082473 TimTec1_000801 CCc1ccc(cc1)C(=O)CSc2nnc(c3cccc(OC)c3)n2CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E10 compound treatment -0.026 -0.037626 -0.1961 -0.209 -0.22927 -1.2741 -0.093 -0.11538 -0.6525 -1.2255 -0.8482 3082474 TimTec1_000802 COc1cc(/N=C/c2cc3cccc(C)c3nc2Cl)c(OC)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E11 compound treatment 0.0 -0.011626 -0.0606 -0.137 -0.15727 -0.874 -0.178 -0.20038 -1.1332 -1.1938 -0.8335 3209083 TimTec1_000803 CCCC[n+]1cc(nc(n1)N2CCCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E12 compound treatment 0.053 0.041374 0.2157 0.046 0.02573 0.143 -0.059 -0.08138 -0.4602 -0.0586 -0.1111 3209084 TimTec1_000804 O=C(Cc1ccccc1)NC2CCCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E13 compound treatment -0.057 -0.068626 -0.3577 -0.263 -0.28327 -1.5742 -0.007 -0.02938 -0.1661 -1.2113 -0.7464 1914322 TimTec1_000805 Clc1ccc(/N=C/c2c[nH]c3ccccc23)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E14 compound treatment -0.057 -0.068626 -0.3577 0.104 0.08373 0.4653 -0.063 -0.08538 -0.4828 -0.2166 -0.2851 1916639 TimTec1_000806 O=C(c1ccccc1)n2cnc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E15 compound treatment 0.082 0.070374 0.3668 0.103 0.08273 0.4597 0.064 0.04162 0.2354 0.6131 0.9678 1607222 TimTec1_000807 COc1ccc(cc1)C2(Cc3nc4ccccc4[nH]3)C(=O)c5ccccc5C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E16 compound treatment 0.0 -0.011626 -0.0606 0.049 0.02873 0.1597 -0.147 -0.16938 -0.9579 -0.4958 -0.5096 1418431 TimTec1_000808 O=S(=O)(NC(c1ccccc1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E17 compound treatment 0.23 0.21837 1.1382 0.238 0.21773 1.21 -0.247 -0.26938 -1.5234 0.4762 0.2113 3082475 TimTec1_000809 Fc1ccc(/C=N/c2ccc(I)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E18 compound treatment 0.028 0.016374 0.0853 0.054 0.03373 0.1874 0.168 0.14562 0.8235 0.6329 0.7456 1450437 TimTec1_000810 COC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc(c1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E19 compound treatment -0.051 -0.062626 -0.3264 -0.097 -0.11727 -0.6517 0.106 0.08362 0.4729 -0.2917 -0.3357 1573675 TimTec1_000811 O=C(C1c2ccccc2Oc3ccccc13)N4CCCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E20 compound treatment 0.197 0.18537 0.9662 0.247 0.22673 1.26 0.05 0.02762 0.1562 1.3755 0.8621 1156098 TimTec1_000812 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)C5=C(O1)C(=O)CCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E21 compound treatment -0.084 -0.095626 -0.4984 -0.037 -0.05727 -0.3183 -0.203 -0.22538 -1.2746 -1.2074 -0.8593 1774639 TimTec1_000813 [O-][n+]1onc2c3cc([nH]c3ccc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E22 compound treatment -0.027 -0.038626 -0.2013 -0.17 -0.19027 -1.0574 -0.135 -0.15738 -0.89 -1.2406 -0.8882 1601319 TimTec1_000814 CCOc1ccc(cc1)C2(C)CC(C)(C)Nc3ccccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E23 mock treatment -0.021 -0.032626 -0.1701 -0.065 -0.08527 -0.4739 0.027 0.0046202 0.0261 -0.3567 -0.7075 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 E24 mock treatment 0.016 0.0043745 0.0228 -0.008 -0.02827 -0.1571 -0.039 -0.06138 -0.3471 -0.2779 -0.7282 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F01 compound treatment -0.019 -0.030626 -0.1596 -0.037 -0.05727 -0.3183 -0.196 -0.21838 -1.235 -0.9889 -0.7694 3209085 TimTec1_000815 Oc1n[nH]c(c1C(C(C#N)C#N)c2ccsc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F02 compound treatment -0.137 -0.14863 -0.7747 0.187 0.16673 0.9265 0.007 -0.01538 -0.087 0.0375 0.0309 1492048 TimTec1_000816 C(C1NCC=N1)c2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F03 compound treatment -0.032 -0.043626 -0.2274 0.228 0.20773 1.1544 0.301 0.27862 1.5756 1.4449 0.7348 3209086 TimTec1_000817 O=c/1[nH]c2ccccc2[nH]\c1=N/C(=S)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F04 compound treatment -0.083 -0.094626 -0.4932 0.301 0.28073 1.5601 0.07 0.04762 0.2693 0.7714 0.4652 1173360 TimTec1_000818 COc1ccc(cc1OC)C(=O)NC(CO)(CO)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F05 compound treatment 0.055 0.043374 0.2261 0.031 0.01073 0.0596 0.084 0.06162 0.3485 0.3661 0.8725 1399424 TimTec1_000819 C1C2C(Oc3ccccc3C2Oc4ccccc14)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F06 compound treatment 0.018 0.0063745 0.0332 0.226 0.20573 1.1433 -0.483 -0.50538 -2.858 -0.9708 -0.3154 1110045 TimTec1_000820 CN(C1CCCCC1)S(=O)(=O)c2ccc(N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F07 compound treatment 0.093 0.081374 0.4241 0.142 0.12173 0.6765 0.038 0.01562 0.0883 0.6864 0.8545 3209087 TimTec1_000821 CC(C)C1=C2CCCCC2NC(=O)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F08 compound treatment -0.041 -0.052626 -0.2743 0.128 0.10773 0.5987 0.088 0.06562 0.3711 0.4015 0.5312 1005088 TimTec1_000822 COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F09 compound treatment -0.121 -0.13263 -0.6913 -0.042 -0.06227 -0.346 -0.047 -0.06938 -0.3924 -0.8254 -0.9521 1428753 TimTec1_000823 CC(=O)Nc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F10 compound treatment -0.071 -0.082626 -0.4307 -0.074 -0.09427 -0.5239 -0.036 -0.05838 -0.3301 -0.7417 -0.9834 1121309 TimTec1_000824 CCCC(=O)Nc1cccc(N)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F11 compound treatment -0.058 -0.069626 -0.3629 -0.043 -0.06327 -0.3516 -0.026 -0.04838 -0.2736 -0.5705 -0.9928 1703558 TimTec1_000825 NC1=C(C#N)C2=CCCCC2C3(C(=O)N(Cc4ccccc4)c5ccccc53)C1(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F12 compound treatment -0.012 -0.023626 -0.1231 -0.024 -0.04427 -0.246 0.131 0.10862 0.6143 0.1415 0.2103 1304433 TimTec1_000826 CN(C)CC#CC1(O)CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F13 compound treatment -0.179 -0.19063 -0.9936 -0.082 -0.10227 -0.5683 0.634 0.61162 3.4588 1.0952 0.3006 3209088 TimTec1_000827 CN(C)c1ccc(/C=C/2\CSC(=S)NC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F14 compound treatment -0.084 -0.095626 -0.4984 -0.044 -0.06427 -0.3572 1.125 1.1026 5.8834 2.9028 0.4907 3082476 TimTec1_000828 CC/1(OCO\C1=C/C[N+](C)(C)C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F15 compound treatment -0.063 -0.074626 -0.389 0.199 0.17873 0.9932 0.036 0.01362 0.077 0.3933 0.3678 3209089 TimTec1_000829 COc1ccccc1CC(=O)N2CCCC(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F16 compound treatment -0.213 -0.22463 -1.1708 0.065 0.04473 0.2486 -0.068 -0.09038 -0.5111 -0.8275 -0.6359 3082477 TimTec1_000830 C(=N/n1cnnc1)\c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F17 compound treatment 0.113 0.10137 0.5284 0.019 -0.00127 -0.0071 -0.344 -0.36638 -2.0719 -0.8952 -0.4187 1177709 TimTec1_000831 CCc1cc(c2n[nH]cc2c3nc(C)cs3)c(O)cc1OC(C)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F18 compound treatment -0.216 -0.22763 -1.1864 -0.333 -0.35327 -1.9632 -0.174 -0.19638 -1.1106 -2.4596 -0.9651 3082478 TimTec1_000832 Cc1c(/N=C\C2CCCN3CCCCC23)c(=O)n(c4ccccc4)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F19 compound treatment 0.019 0.0073745 0.0384 0.114 0.09373 0.5209 -0.053 -0.07538 -0.4263 0.0768 0.1139 3209090 TimTec1_000833 COc1cc(Br)cc(CNc2cc(C)on2)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F20 compound treatment 0.144 0.13237 0.69 0.018 -0.00227 -0.0126 0.429 0.40662 2.2995 1.7187 0.7159 3209091 TimTec1_000834 O=C(/C=C/c1ccccc1)N2CCCCC2c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F21 compound treatment 0.012 3.7448E-4 0.002 -0.012 -0.03227 -0.1793 0.107 0.08462 0.4785 0.1739 0.3402 3082479 TimTec1_000835 COc1ccc(NC(=S)SC)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F22 compound treatment -0.146 -0.15763 -0.8216 0.11 0.08973 0.4986 -0.015 -0.03738 -0.2114 -0.3085 -0.3135 1375719 TimTec1_000836 CCCC1=C(C(NC(=O)N1)c2cc(Br)c(O)c(OC)c2)C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F23 mock treatment 0.093 0.081374 0.4241 0.175 0.15473 0.8599 0.0 -0.02238 -0.1266 0.6682 0.691 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 F24 mock treatment -0.018 -0.029626 -0.1544 0.006 -0.01427 -0.0793 -0.074 -0.09638 -0.545 -0.4496 -0.786 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G01 compound treatment 0.289 0.27737 1.4457 -0.028 -0.04827 -0.2682 -0.151 -0.17338 -0.9805 0.1137 0.0644 1641121 TimTec1_000837 CCC(C)NC(=O)c1ccc(cc1)N(CC)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G02 compound treatment 0.013 0.0013745 0.0072 0.18 0.15973 0.8876 -0.088 -0.11038 -0.6242 0.1562 0.144 1504788 TimTec1_000838 Clc1cccc(c1)c2nc3n(ncc3c(=O)o2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G03 compound treatment 0.105 0.093374 0.4867 -0.188 -0.20827 -1.1574 -0.257 -0.27938 -1.5799 -1.2994 -0.6439 1392995 TimTec1_000839 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G04 compound treatment -0.037 -0.048626 -0.2534 0.006 -0.01427 -0.0793 0.247 0.22462 1.2703 0.5413 0.4171 1261047 TimTec1_000840 O=C1NC(C(N1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G05 compound treatment 0.024 0.012374 0.0645 -0.043 -0.06327 -0.3516 -0.07 -0.09238 -0.5224 -0.4674 -0.7383 3082481 TimTec1_000841 Sc1nccn1CCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G06 compound treatment 0.017 0.0053745 0.028 0.465 0.44473 2.4714 -0.042 -0.06438 -0.3641 1.2329 0.4935 1044409 TimTec1_000842 O=C(Nc1ccccc1)C(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G07 compound treatment 0.069 0.057374 0.299 -0.026 -0.04627 -0.2571 0.032 0.0096202 0.0544 0.0556 0.1397 1679314 TimTec1_000843 NC(=O)C1C(C2CCC1C2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G08 compound treatment 0.152 0.14037 0.7317 0.127 0.10673 0.5931 -0.083 -0.10538 -0.5959 0.4208 0.3775 3082485 TimTec1_000844 Clc1ccc(/N=C/c2ccc(Br)o2)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G09 compound treatment 0.061 0.049374 0.2574 0.065 0.04473 0.2486 0.076 0.05362 0.3032 0.4672 0.9961 1181154 TimTec1_000845 O=c1n(c(SCc2ccc3OCOc3c2)nc4ccccc14)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G10 compound treatment 0.1 0.088374 0.4606 -0.103 -0.12327 -0.685 -0.007 -0.02938 -0.1661 -0.2255 -0.2678 3082487 TimTec1_000846 Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G11 compound treatment 0.04 0.028374 0.1479 0.104 0.08373 0.4653 0.163 0.14062 0.7952 0.8132 0.8714 1384410 TimTec1_000847 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(nc(nn12)N3CCOCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G12 compound treatment 0.096 0.084374 0.4398 0.117 0.09673 0.5375 0.019 -0.0033798 -0.0191 0.5532 0.7963 1271027 TimTec1_000848 COc1ccc(CC(=O)NCC(C)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G13 compound treatment 0.039 0.027374 0.1427 0.02 -2.7002E-4 -0.0015 0.007 -0.01538 -0.087 0.0313 0.1873 3209212 TimTec1_000849 Cc1ccc(/N=C/c2c[nH]c3ccccc23)nc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G14 compound treatment 0.0 -0.011626 -0.0606 -0.034 -0.05427 -0.3016 0.0 -0.02238 -0.1266 -0.2822 -0.8483 1290233 TimTec1_000850 Brc1ccc(cc1)S(=O)(=O)N2CCCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G15 compound treatment -0.289 -0.30063 -1.5669 -0.299 -0.31927 -1.7742 -0.054 -0.07638 -0.4319 -2.1784 -0.9053 3209213 TimTec1_000851 CCCNc1nc(Cl)nc(NCCC)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G16 compound treatment -0.058 -0.069626 -0.3629 -0.106 -0.12627 -0.7017 0.373 0.35062 1.9828 0.5301 0.2484 1275135 TimTec1_000852 O=S(=O)(N(c1ccccc1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G17 compound treatment -0.132 -0.14363 -0.7486 0.042 0.02173 0.1208 -0.2 -0.22238 -1.2576 -1.0886 -0.7413 3209214 TimTec1_000853 NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G18 compound treatment -0.053 -0.064626 -0.3368 0.078 0.05773 0.3208 0.282 0.25962 1.4682 0.8384 0.5444 3082492 TimTec1_000854 COc1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G19 compound treatment 0.037 0.025374 0.1323 0.1 0.07973 0.4431 0.171 0.14862 0.8405 0.8174 0.8521 3209215 TimTec1_000855 Cc1cc(nn1CC(=O)Nc2sc(C)c(C)c2C(=O)N)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G20 compound treatment -0.112 -0.12363 -0.6444 -0.057 -0.07727 -0.4294 0.072 0.04962 0.2806 -0.4579 -0.556 1545537 TimTec1_000856 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)COc4ccc(Br)cc4)cc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G21 compound treatment -0.118 -0.12963 -0.6756 0.042 0.02173 0.1208 0.039 0.01662 0.094 -0.2661 -0.3841 1150900 TimTec1_000857 On1c(nc-2c1CCc3nonc32)c4ccccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G22 compound treatment -0.11 -0.12163 -0.6339 0.104 0.08373 0.4653 0.068 0.04562 0.258 0.0516 0.0623 3082530 TimTec1_000858 Cc1cc(C)c(C#N)c(SCc2cc(O)[nH]n2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G23 mock treatment -0.006 -0.017626 -0.0919 0.217 0.19673 1.0933 0.012 -0.01038 -0.0587 0.5443 0.4954 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 G24 mock treatment -0.149 -0.16063 -0.8372 0.145 0.12473 0.6931 0.089 0.06662 0.3767 0.1343 0.1168 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H01 compound treatment 0.056 0.044374 0.2313 -0.076 -0.09627 -0.535 0.0 -0.02238 -0.1266 -0.2484 -0.4165 1198410 TimTec1_000859 Cc1[nH]nc(O)c1C2(C(C#N)C#N)C3CC4CC(C3)CC2C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H02 compound treatment 0.07 0.058374 0.3043 0.105 0.08473 0.4709 -0.051 -0.07338 -0.415 0.2079 0.2981 3209216 TimTec1_000860 Cc1ccc(OCc2nnc(S)n2c3ccccc3)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H03 compound treatment 0.036 0.024374 0.127 0.122 0.10173 0.5653 -0.127 -0.14938 -0.8448 -0.088 -0.0859 1739416 TimTec1_000861 CCN(CC)c1[nH]nnc1c2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H04 compound treatment -0.051 -0.062626 -0.3264 0.079 0.05873 0.3264 -0.031 -0.05338 -0.3019 -0.1743 -0.316 3082533 TimTec1_000862 CCOC(=O)c1ccc(SC)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H05 compound treatment -0.073 -0.084626 -0.4411 -0.025 -0.04527 -0.2516 -0.108 -0.13038 -0.7373 -0.8256 -0.9222 1302286 TimTec1_000863 O=C(C1CC2CCC1C2)N3CCN(CC3)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H06 compound treatment 1.114 1.1024 5.4484 -0.006 -0.02627 -0.146 0.032 0.0096202 0.0544 3.0927 0.5674 1696584 TimTec1_000864 COc1ccc(cc1)C2OC(=O)c3ccccc3S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H07 compound treatment 0.223 0.21137 1.1017 -0.019 -0.03927 -0.2182 0.092 0.06962 0.3937 0.7374 0.6196 1246999 TimTec1_000865 CC1C=C(C)C2C(C)C1(COC(=O)NC3CCCCC3)COC42CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H08 compound treatment 0.182 0.17037 0.888 -0.603 -0.62327 -3.4636 0.044 0.02162 0.1223 -1.4164 -0.3959 3209217 TimTec1_000866 Sc1nnc(COc2ccccc2)n1CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H09 compound treatment 0.08 0.068374 0.3564 0.075 0.05473 0.3041 -0.066 -0.08838 -0.4998 0.0928 0.1355 1579810 TimTec1_000867 Clc1ccc(cc1)C(=O)N2CCCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H10 compound treatment -0.019 -0.030626 -0.1596 0.096 0.07573 0.4208 0.165 0.14262 0.8065 0.6165 0.6674 1114790 TimTec1_000868 Cc1ccc(OCC(=O)O)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H11 compound treatment 0.295 0.28337 1.477 0.484 0.46373 2.577 0.51 0.48762 2.7576 3.9327 0.9703 1201078 TimTec1_000869 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H12 compound treatment -0.132 -0.14363 -0.7486 0.118 0.09773 0.5431 -0.006 -0.02838 -0.1605 -0.2113 -0.2251 1549339 TimTec1_000870 CC(O)(C#CCN1CCOCC1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H13 compound treatment 0.07 0.058374 0.3043 0.04 0.01973 0.1096 -0.046 -0.06838 -0.3867 0.0157 0.0312 3209218 TimTec1_000871 Clc1ccccc1/C=C/2\SC3NC(=NN3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H14 compound treatment 0.02 0.0083745 0.0436 -0.046 -0.06627 -0.3683 0.311 0.28862 1.6322 0.7549 0.451 3082538 TimTec1_000872 CC/1(C)OC(=O)N(\C1=C/C[N+](C)(C)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H15 compound treatment -0.038 -0.049626 -0.2587 -0.172 -0.19227 -1.0685 -0.131 -0.15338 -0.8674 -1.267 -0.9048 1740713 TimTec1_000873 COc1ccccc1CC(=O)Nc2cccc(NC(=O)C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H16 compound treatment 0.111 0.099374 0.518 0.142 0.12173 0.6765 0.52 0.49762 2.8141 2.3143 0.7871 1298167 TimTec1_000874 CC(=C1C(=O)NC(=O)NC1=O)c2ccc(N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H17 compound treatment -0.006 -0.017626 -0.0919 0.018 -0.00227 -0.0126 0.198 0.17562 0.9932 0.5131 0.5144 3209219 TimTec1_000875 Fc1ccc(cc1)S(=O)(=O)N(C2CCS(=O)(=O)C2)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H18 compound treatment 0.067 0.055374 0.2886 -0.108 -0.12827 -0.7128 0.137 0.11462 0.6482 0.1293 0.1286 1208196 TimTec1_000876 O=C(N1CC2CC(C1)c3cccc(=O)n3C2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H19 compound treatment 0.089 0.077374 0.4033 0.152 0.13173 0.732 0.148 0.12562 0.7104 1.0656 0.9715 3082542 TimTec1_000877 CC(=O)NCCOc1c(C)cccc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H20 compound treatment 0.0 -0.011626 -0.0606 -0.019 -0.03927 -0.2182 0.184 0.16162 0.914 0.3667 0.3894 3082544 TimTec1_000878 COc1ccc(OCCSc2nc3ccccc3n2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H21 compound treatment 0.031 0.019374 0.101 -0.006 -0.02627 -0.146 -0.26 -0.28238 -1.5969 -0.948 -0.59 1488809 TimTec1_000879 CC1CCCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H22 compound treatment -0.23 -0.24163 -1.2594 -0.309 -0.32927 -1.8298 -0.296 -0.31838 -1.8005 -2.8231 -0.9873 1442845 TimTec1_000880 C(Sc1nc(c(o1)c2ccccc2)c3ccccc3)C4COc5ccccc5O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H23 mock treatment -0.043 -0.054626 -0.2847 0.109 0.08873 0.4931 0.038 0.01562 0.0883 0.1713 0.2973 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 H24 mock treatment -0.095 -0.10663 -0.5558 0.017 -0.00327 -0.0182 0.071 0.04862 0.275 -0.1726 -0.2783 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I01 compound treatment -0.083 -0.094626 -0.4932 0.178 0.15773 0.8765 0.078 0.05562 0.3145 0.4029 0.3823 1191196 TimTec1_000881 Cc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I02 compound treatment 0.132 0.12037 0.6274 -0.098 -0.11827 -0.6572 0.028 0.0056202 0.0318 0.0011 0.0012 3082580 TimTec1_000882 O=c1oc(nc2sc3CCCCCc3c12)c4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I03 compound treatment 0.283 0.27137 1.4145 0.132 0.11173 0.6209 0.277 0.25462 1.4399 2.0065 0.9501 1319708 TimTec1_000883 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3)no1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I04 compound treatment -0.07 -0.081626 -0.4255 -0.077 -0.09727 -0.5405 -0.153 -0.17538 -0.9918 -1.1303 -0.9365 1427613 TimTec1_000884 Nc1ccc(cc1)C(C2NC(=O)c3ccccc23)c4ccc(N)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I05 compound treatment -0.116 -0.12763 -0.6652 -0.127 -0.14727 -0.8184 -0.152 -0.17438 -0.9861 -1.4259 -0.9876 1467312 TimTec1_000885 Cc1ccccc1NC(=O)CCC(=O)OC2CCC(CC2)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I06 compound treatment 0.021 0.0093745 0.0489 0.132 0.11173 0.6209 0.074 0.05162 0.2919 0.5552 0.8072 1018245 TimTec1_000886 CCN(CC)C(=O)C(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I07 compound treatment -0.057 -0.068626 -0.3577 -0.053 -0.07327 -0.4072 -0.042 -0.06438 -0.3641 -0.6518 -0.9983 1540337 TimTec1_000887 O=C(C1C(C#N)C2CCC1C2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I08 compound treatment 0.183 0.17137 0.8932 0.146 0.12573 0.6987 0.321 0.29862 1.6888 1.8941 0.9311 3082583 TimTec1_000888 OC(=O)c1ccccc1/N=C/c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I09 compound treatment -0.164 -0.17563 -0.9154 -0.116 -0.13627 -0.7573 -0.105 -0.12738 -0.7204 -1.3816 -0.9944 3209220 TimTec1_000889 Cn1c(SCc2ccc3OCOc3c2)nnc1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I10 compound treatment -0.068 -0.079626 -0.415 0.158 0.13773 0.7654 0.104 0.08162 0.4616 0.4688 0.4757 3082586 TimTec1_000890 COC(=O)Nc1ccc(/N=C/c2cccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I11 compound treatment -0.145 -0.15663 -0.8164 -0.168 -0.18827 -1.0462 0.02 -0.0023798 -0.0135 -1.0832 -0.8162 3209221 TimTec1_000891 COc1nncc(n1)c2cnnc(SC)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I12 compound treatment 0.085 0.073374 0.3824 0.081 0.06073 0.3375 0.348 0.32562 1.8414 1.4788 0.7739 1639601 TimTec1_000892 COc1ccc(CC(=O)NN2CCN(CC2)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I13 compound treatment 0.02 0.0083745 0.0436 0.106 0.08573 0.4764 0.629 0.60662 3.4305 2.2809 0.6585 3209222 TimTec1_000893 C1CCC(=Nn2cnnc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I14 compound treatment 0.027 0.015374 0.0801 0.182 0.16173 0.8988 0.014 -0.0083798 -0.0474 0.5378 0.5952 1554764 TimTec1_000894 CN1CCN(CC1)S(=O)(=O)c2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I15 compound treatment -0.181 -0.19263 -1.004 0.291 0.27073 1.5045 -0.136 -0.15838 -0.8957 -0.2282 -0.113 3209223 TimTec1_000895 CCOc1ccc2nc(/N=C/c3ccccc3O)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I16 compound treatment -0.178 -0.18963 -0.9884 -0.333 -0.35327 -1.9632 0.038 0.01562 0.0883 -1.6531 -0.7515 1340130 TimTec1_000896 CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I17 compound treatment 0.02 0.0083745 0.0436 -0.013 -0.03327 -0.1849 -0.19 -0.21238 -1.201 -0.775 -0.6373 1912630 TimTec1_000897 CCOC(=O)c1ccc(/N=C/c2ccccc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I18 compound treatment 0.25 0.23837 1.2425 0.092 0.07173 0.3986 -0.032 -0.05438 -0.3075 0.7699 0.5743 1423694 TimTec1_000898 COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I19 compound treatment -0.068 -0.079626 -0.415 -0.14 -0.16027 -0.8906 0.083 0.06062 0.3428 -0.5559 -0.5342 3082591 TimTec1_000899 Nc1c(C#N)sc2nc(ccc12)c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I20 compound treatment 0.289 0.27737 1.4457 0.213 0.19273 1.071 0.03 0.0076202 0.0431 1.4779 0.8212 3209224 TimTec1_000900 CSc1ccc(/N=C/N2C(=O)c3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I21 compound treatment 0.024 0.012374 0.0645 0.037 0.01673 0.093 -0.144 -0.16638 -0.9409 -0.4523 -0.4773 3082593 TimTec1_000901 Oc1[nH]c(=S)[nH]c(=O)c1CN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I22 compound treatment 0.136 0.12437 0.6483 0.204 0.18373 1.021 0.151 0.12862 0.7274 1.3837 0.9804 3209346 TimTec1_000902 O=C([C@H]1[C@H](c2cccs2)C(C#N)(C#N)[C@H]3N1C=Cc4ccccc34)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I23 mock treatment -0.173 -0.18463 -0.9623 0.0 -0.02027 -0.1126 -0.025 -0.04738 -0.2679 -0.7753 -0.7713 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 I24 mock treatment 0.159 0.14737 0.7682 -0.11 -0.13027 -0.7239 0.045 0.02262 0.1279 0.0994 0.0935 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J01 compound treatment 0.652 0.64037 3.3378 0.342 0.32173 1.7879 0.289 0.26662 1.5078 3.8298 0.9397 1633418 TimTec1_000903 Oc1cc(O)c2sc3nc(ccc3c2n1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J02 compound treatment -0.141 -0.15263 -0.7955 1.152 1.1317 5.8627 0.07 0.04762 0.2693 3.081 0.5202 1297117 TimTec1_000904 Nc1ccc(cc1)c2cc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J03 compound treatment -0.013 -0.024626 -0.1284 0.136 0.11573 0.6431 -0.092 -0.11438 -0.6468 -0.0762 -0.0828 3082596 TimTec1_000905 Sc1n[nH]nc1c2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J04 compound treatment 0.204 0.19237 1.0027 0.392 0.37173 2.0658 -0.101 -0.12338 -0.6977 1.3687 0.5703 3209347 TimTec1_000906 CCOC(=O)c1ccc(cc1)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J05 compound treatment -0.338 -0.34963 -1.8223 -0.369 -0.38927 -2.1632 -0.196 -0.21838 -1.235 -3.0141 -0.9766 1207815 TimTec1_000907 CC1C=C(C)C2C(C)C1COC2c3ccccc3OCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J06 compound treatment 0.012 3.7448E-4 0.002 0.115 0.09473 0.5264 -0.43 -0.45238 -2.5583 -1.172 -0.4487 1614670 TimTec1_000908 CC1CCCCN1S(=O)(=O)c2ccc(N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J07 compound treatment 0.027 0.015374 0.0801 -0.031 -0.05127 -0.2849 -0.021 -0.04338 -0.2453 -0.2599 -0.676 1620705 TimTec1_000909 CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J08 compound treatment -0.089 -0.10063 -0.5245 0.068 0.04773 0.2652 0.007 -0.01538 -0.087 -0.1999 -0.3364 1432678 TimTec1_000910 Nc1cccc(c1)c2nc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J09 compound treatment -0.013 -0.024626 -0.1284 0.099 0.07873 0.4375 0.0 -0.02238 -0.1266 0.1054 0.2228 1679574 TimTec1_000911 Brc1ccc(cc1)C(=O)N2CCC(Cc3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J10 compound treatment -0.014 -0.025626 -0.1336 0.036 0.01573 0.0874 0.12 0.09762 0.5521 0.2921 0.5083 1513995 TimTec1_000912 CCCc1ccc(O)c(N)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J11 compound treatment -0.06 -0.071626 -0.3733 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 -0.3536 -0.8626 1491173 TimTec1_000913 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J12 compound treatment 0.037 0.025374 0.1323 -0.109 -0.12927 -0.7184 0.067 0.04462 0.2523 -0.1927 -0.2494 3082639 TimTec1_000914 OC1(CCCCC1)/C=C/CN2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J13 compound treatment 0.083 0.071374 0.372 0.11 0.08973 0.4986 0.093 0.07062 0.3994 0.7333 0.9918 3179906 TimTec1_000915 CC[C@]1(CCCN2CC[C@]3([C@H]4CC1)c5cccc(OC)c5N4C(=O)C)[C@@H]23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J14 compound treatment -0.065 -0.076626 -0.3994 0.022 0.00173 0.0096 0.055 0.03262 0.1845 -0.1185 -0.2694 3082641 TimTec1_000916 CC1=[N+](CCC#N)c2ccccc2C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J15 compound treatment 0.007 -0.0046255 -0.0241 -0.085 -0.10527 -0.585 0.18 0.15762 0.8914 0.163 0.1528 1205123 TimTec1_000917 Cc1cccc(SCC(=O)Nc2ccc3OCCOc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J16 compound treatment -0.13 -0.14163 -0.7382 0.038 0.01773 0.0985 0.118 0.09562 0.5408 -0.0571 -0.062 3082643 TimTec1_000918 SC(=S)N1CCCCC1c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J17 compound treatment -0.145 -0.15663 -0.8164 -0.197 -0.21727 -1.2074 0.006 -0.01638 -0.0926 -1.2219 -0.8367 3209348 TimTec1_000919 CCOc1ccc(cc1)C(=O)CC(N)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J18 compound treatment -0.116 -0.12763 -0.6652 -0.322 -0.34227 -1.9021 0.19 0.16762 0.9479 -0.9349 -0.4198 1146682 TimTec1_000920 O=C1N(CCN2CC3CC(C2)c4cccc(=O)n4C3)C(=O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J19 compound treatment -0.048 -0.059626 -0.3108 -0.139 -0.15927 -0.8851 0.0 -0.02238 -0.1266 -0.7635 -0.8066 1708504 TimTec1_000921 NCCOc1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J20 compound treatment -0.032 -0.043626 -0.2274 -0.145 -0.16527 -0.9184 0.308 0.28562 1.6152 0.271 0.1448 1179648 TimTec1_000922 CN(C)c1ccc(cc1)C2NC(=S)NC(=C2C(=O)OCCc3ccccc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J21 compound treatment -0.152 -0.16363 -0.8529 -0.094 -0.11427 -0.635 0.052 0.02962 0.1675 -0.7623 -0.7082 3082646 TimTec1_000923 NC(=N)SCc1csc(N)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J22 compound treatment -0.05 -0.061626 -0.3212 0.007 -0.01327 -0.0737 0.081 0.05862 0.3315 -0.0366 -0.0784 3082648 TimTec1_000924 C(Sc1cccc2cccnc12)c3nnc(o3)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J23 mock treatment 0.11 0.098374 0.5128 0.105 0.08473 0.4709 0.184 0.16162 0.914 1.0956 0.9536 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 J24 mock treatment -0.066 -0.077626 -0.4046 -0.105 -0.12527 -0.6961 0.007 -0.01538 -0.087 -0.6857 -0.8467 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K01 compound treatment -0.032 -0.043626 -0.2274 -0.04 -0.06027 -0.3349 -0.007 -0.02938 -0.1661 -0.4206 -0.9611 1262368 TimTec1_000925 CC(C)(C)NC(=O)CC(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K02 compound treatment -0.027 -0.038626 -0.2013 -0.077 -0.09727 -0.5405 0.133 0.11062 0.6256 -0.0671 -0.0789 1207448 TimTec1_000926 CCc1nc2n(ncc2c(=O)n1CCc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K03 compound treatment -0.036 -0.047626 -0.2482 -0.068 -0.08827 -0.4905 0.041 0.01862 0.1053 -0.3657 -0.6534 1458877 TimTec1_000927 COc1ccc(cc1S(=O)(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K04 compound treatment 0.006 -0.0056255 -0.0293 -0.11 -0.13027 -0.7239 0.12 0.09762 0.5521 -0.1162 -0.1275 3082651 TimTec1_000928 COc1ccc(cc1N)S(=O)(=O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K05 compound treatment -0.012 -0.023626 -0.1231 -0.042 -0.06227 -0.346 0.019 -0.0033798 -0.0191 -0.2819 -0.7665 3209349 TimTec1_000929 O=C1CCCC(Cn2cncn2)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K06 compound treatment 0.029 0.017374 0.0906 0.344 0.32373 1.799 -0.069 -0.09138 -0.5168 0.7926 0.423 1111413 TimTec1_000930 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K07 compound treatment -0.03 -0.041626 -0.217 0.061 0.04073 0.2263 0.19 0.16762 0.9479 0.5527 0.5536 3082653 TimTec1_000931 CCC1=CC(NC(=S)N1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K08 compound treatment -0.045 -0.056626 -0.2951 -0.106 -0.12627 -0.7017 -0.043 -0.06538 -0.3697 -0.789 -0.9323 3209350 TimTec1_000932 Oc1ccccc1/C=N/c2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K09 compound treatment -0.198 -0.20963 -1.0926 -0.364 -0.38427 -2.1355 -0.344 -0.36638 -2.0719 -3.06 -0.9654 3082655 TimTec1_000933 CCc1ccc(OCCNC(=O)c2ccco2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K10 compound treatment -0.024 -0.035626 -0.1857 0.115 0.09473 0.5264 0.199 0.17662 0.9988 0.7734 0.6759 1604140 TimTec1_000934 Clc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K11 compound treatment -0.073 -0.084626 -0.4411 0.108 0.08773 0.4875 -0.152 -0.17438 -0.9861 -0.5425 -0.4578 1651876 TimTec1_000935 CNC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K12 compound treatment -0.04 -0.051626 -0.2691 -0.089 -0.10927 -0.6072 0.373 0.35062 1.9828 0.6388 0.3055 3082657 TimTec1_000936 Cc1onc(c1C(=O)NC2=NCCS2)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K13 compound treatment -0.02 -0.031626 -0.1648 -0.139 -0.15927 -0.8851 -0.081 -0.10338 -0.5846 -0.9437 -0.8791 3209351 TimTec1_000937 Clc1ccc(/C=N\n2cnnc2)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K14 compound treatment -0.034 -0.045626 -0.2378 0.05 0.02973 0.1652 -0.019 -0.04138 -0.234 -0.177 -0.4755 1479829 TimTec1_000938 Brc1ccc(cc1)S(=O)(=O)NCC2CCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K15 compound treatment -0.018 -0.029626 -0.1544 0.0 -0.02027 -0.1126 -0.088 -0.11038 -0.6242 -0.5146 -0.7882 3209352 TimTec1_000939 COc1ccc(/C=N/c2ccc(Br)cc2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K16 compound treatment 0.006 -0.0056255 -0.0293 -0.133 -0.15327 -0.8517 0.164 0.14162 0.8009 -0.0463 -0.0396 1308008 TimTec1_000940 CCN(c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K17 compound treatment 0.012 3.7448E-4 0.002 -0.115 -0.13527 -0.7517 -0.1 -0.12238 -0.6921 -0.8325 -0.8147 1918619 TimTec1_000941 CCOC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K18 compound treatment 0.03 0.018374 0.0958 -0.145 -0.16527 -0.9184 0.087 0.06462 0.3654 -0.264 -0.2658 1453153 TimTec1_000942 COC(=O)c1cc(NC(=O)c2ccco2)cc(c1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K19 compound treatment 0.124 0.11237 0.5857 -0.084 -0.10427 -0.5794 0.413 0.39062 2.209 1.279 0.5425 3209353 TimTec1_000943 Nc1nc2c3cc4CCCc4nc3sc2c(c1C#N)c5ccc(Br)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K20 compound treatment -0.24 -0.25163 -1.3115 -0.074 -0.09427 -0.5239 0.073 0.05062 0.2863 -0.8944 -0.6207 1246610 TimTec1_000944 Cc1cccc(N2C(=O)c3ccc(cc3C2=O)C(=O)Nc4c[nH]c(=O)[nH]c4=O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K21 compound treatment 0.248 0.23637 1.232 0.213 0.19273 1.071 0.286 0.26362 1.4908 2.1904 0.9908 1512817 TimTec1_000945 Cc1ccc(cc1)n2c(C)nc3sc4CCCc4c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K22 compound treatment -0.175 -0.18663 -0.9727 0.033 0.01273 0.0707 0.096 0.07362 0.4163 -0.2804 -0.2644 3209354 TimTec1_000946 NC(=O)C(C(C(C#N)C#N)c1ccccc1Cl)[n+]2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K23 mock treatment 0.0 -0.011626 -0.0606 0.211 0.19073 1.0599 -0.043 -0.06538 -0.3697 0.3635 0.3233 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 K24 mock treatment -0.006 -0.017626 -0.0919 -0.106 -0.12627 -0.7017 0.049 0.02662 0.1505 -0.3713 -0.5131 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L01 compound treatment -0.086 -0.097626 -0.5088 0.073 0.05273 0.293 0.073 0.05062 0.2863 0.0407 0.0623 1381598 TimTec1_000947 NC(=O)c1c(c(C#N)c(N)[nH]c1=S)c2cccc(Br)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L02 compound treatment 0.974 0.96237 5.0161 0.353 0.33273 1.849 -0.124 -0.14638 -0.8278 3.4857 0.6443 1609999 TimTec1_000948 COC(=O)C1CCCN1S(=O)(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L03 compound treatment -0.045 -0.056626 -0.2951 0.0 -0.02027 -0.1126 0.058 0.03562 0.2014 -0.1191 -0.318 1730347 TimTec1_000949 Cc1cccc(c1)C(=O)Nc2ccc3[nH]c(O)nc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L04 compound treatment 0.017 0.0053745 0.028 0.035 0.01473 0.0819 0.017 -0.0053798 -0.0304 0.0459 0.5001 1111506 TimTec1_000950 OC(=O)CCc1ccc(F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L05 compound treatment -0.124 -0.13563 -0.7069 0.018 -0.00227 -0.0126 -0.006 -0.02838 -0.1605 -0.5081 -0.7008 3209355 TimTec1_000951 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCCc4ccccc34)c5cccs5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L06 compound treatment 0.318 0.30637 1.5969 -0.053 -0.07327 -0.4072 0.062 0.03962 0.2241 0.8162 0.4908 1321261 TimTec1_000952 CC(CO)(CO)NS(=O)(=O)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L07 compound treatment 0.326 0.31437 1.6386 0.104 0.08373 0.4653 0.91 0.88762 5.0197 4.1128 0.7759 3209356 TimTec1_000953 CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccco3)/sc2=C(C1c4ccco4)C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L08 compound treatment -0.134 -0.14563 -0.759 0.057 0.03673 0.2041 -0.119 -0.14138 -0.7995 -0.782 -0.6975 1024363 TimTec1_000954 Nc1ccc(cc1)c2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L09 compound treatment -0.018 -0.029626 -0.1544 -0.073 -0.09327 -0.5183 0.011 -0.01138 -0.0644 -0.4256 -0.7813 1663099 TimTec1_000955 CCN(C(=O)c1cccc(c1)C(=O)N(CC)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L10 compound treatment 0.788 0.77637 4.0466 1.259 1.2387 6.1259 1.119 1.0966 5.8672 9.2606 0.9854 1061459 TimTec1_000956 CN(c1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L11 compound treatment 0.968 0.95637 4.9848 0.918 0.89773 4.9888 0.106 0.08362 0.4729 6.0313 0.8533 1730887 TimTec1_000957 CCOC(=O)c1csc(N)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L12 compound treatment -0.071 -0.082626 -0.4307 -0.273 -0.29327 -1.6297 -0.037 -0.05938 -0.3358 -1.3835 -0.8049 1709522 TimTec1_000958 O=C(OC1(CCCCC1)C#CCN2CCCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L13 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 -0.041 -0.06338 -0.3584 -0.307 -0.8066 1685514 TimTec1_000959 CCC1(CCCN2CCC3(C4CC1)c5ccc(OC)c(O)c5N4C(=O)C)C23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L14 compound treatment -0.21 -0.22163 -1.1552 -0.26 -0.28027 -1.5575 0.038 0.01562 0.0883 -1.5152 -0.7806 1920479 TimTec1_000960 Oc1ccc(/C=N/c2nccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L15 compound treatment 0.057 0.045374 0.2365 0.071 0.05073 0.2819 0.053 0.03062 0.1732 0.3993 0.9818 3082723 TimTec1_000961 CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc3ccccc3c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L16 compound treatment -0.086 -0.097626 -0.5088 -0.121 -0.14127 -0.7851 -0.282 -0.30438 -1.7213 -1.7408 -0.8886 3209357 TimTec1_000962 Oc1ccc(/C=N/CC2CCCN3CCCCC23)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L17 compound treatment -0.08 -0.091626 -0.4776 -0.041 -0.06127 -0.3405 -0.223 -0.24538 -1.3877 -1.2735 -0.8453 3082725 TimTec1_000963 OC(=O)C(CC(=O)c1ccc(Cl)cc1)NC2CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L18 compound treatment -0.218 -0.22963 -1.1969 -0.113 -0.13327 -0.7406 -0.019 -0.04138 -0.234 -1.2537 -0.8787 1466736 TimTec1_000964 O=C1N(CCN2CCCCC2)C(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L19 compound treatment -0.169 -0.18063 -0.9415 0.982 0.96173 5.3445 0.012 -0.01038 -0.0587 2.5082 0.4622 3082726 TimTec1_000965 CC(=O)NCCOc1ccccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L20 compound treatment 0.38 0.36837 1.9201 -0.125 -0.14527 -0.8073 0.207 0.18462 1.0441 1.2452 0.5345 3209478 TimTec1_000966 COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OC)c(Br)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L21 compound treatment -0.118 -0.12963 -0.6756 0.075 0.05473 0.3041 0.132 0.10962 0.6199 0.1434 0.1485 3082728 TimTec1_000967 COc1cccc(c1)c2csc3[nH]cnc(=O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L22 compound treatment -0.09 -0.10163 -0.5297 0.006 -0.01427 -0.0793 -0.075 -0.09738 -0.5507 -0.6696 -0.8716 1136019 TimTec1_000968 CN(C)c1ccc(cc1)C2NCC(CSc3nc4ccccc4s3)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L23 mock treatment -0.11 -0.12163 -0.6339 -0.087 -0.10727 -0.5961 -0.135 -0.15738 -0.89 -1.224 -0.9834 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 L24 mock treatment -0.259 -0.27063 -1.4106 0.106 0.08573 0.4764 -0.097 -0.11938 -0.6751 -0.9291 -0.5683 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M01 compound treatment 0.035 0.023374 0.1218 -0.047 -0.06727 -0.3738 -0.013 -0.03538 -0.2001 -0.261 -0.5916 1453808 TimTec1_000969 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M02 compound treatment -0.02 -0.031626 -0.1648 0.0 -0.02027 -0.1126 -0.12 -0.14238 -0.8052 -0.6251 -0.7535 1706729 TimTec1_000970 Cc1csc(NC(=O)CSc2nc(ccc2C#N)C3(CC4CC5CC(C4)C3)C5)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M03 compound treatment -0.053 -0.064626 -0.3368 -0.313 -0.33327 -1.852 0.086 0.06362 0.3598 -1.056 -0.551 1282202 TimTec1_000971 CC1CN(CC(C)O1)S(=O)(=O)c2cccc(c2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M04 compound treatment -0.024 -0.035626 -0.1857 -0.049 -0.06927 -0.3849 -0.264 -0.28638 -1.6195 -1.2645 -0.7549 3082794 TimTec1_000972 Nc1ccc(Cc2ccc(N)c(C#N)c2)cc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M05 compound treatment -0.106 -0.11763 -0.6131 -0.196 -0.21627 -1.2018 -0.05 -0.07238 -0.4093 -1.2842 -0.9108 3209479 TimTec1_000973 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCC=C)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M06 compound treatment -0.113 -0.12463 -0.6496 -0.025 -0.04527 -0.2516 0.211 0.18862 1.0667 0.0956 0.075 1356106 TimTec1_000974 CN(C)c1cc(O)c(C(=S)Nc2ccccc2)c(c1)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M07 compound treatment 0.043 0.031374 0.1635 0.0 -0.02027 -0.1126 0.225 0.20262 1.1459 0.6909 0.5941 1632278 TimTec1_000975 CC(Sc1ncnc2[nH]cnc12)c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M08 compound treatment 0.025 0.013374 0.0697 -0.025 -0.04527 -0.2516 -0.065 -0.08738 -0.4941 -0.3903 -0.6984 3082797 TimTec1_000976 COc1ccc(/C=N/c2ccccc2C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M09 compound treatment -0.11 -0.12163 -0.6339 -0.132 -0.15227 -0.8462 -0.031 -0.05338 -0.3019 -1.0288 -0.9357 3209480 TimTec1_000977 Cc1ccccc1OCCNC(=O)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M10 compound treatment 0.174 0.16237 0.8463 0.314 0.29373 1.6323 0.25 0.22762 1.2872 2.1742 0.9687 1332157 TimTec1_000978 COc1ccc(NC(=O)c2cccc(C)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M11 compound treatment -0.652 -0.66363 -3.459 -0.583 -0.60327 -3.3525 -0.519 -0.54138 -3.0616 -5.7002 -0.9987 3209481 TimTec1_000979 NNC(=O)CCCSc1nc2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M12 compound treatment 0.015 0.0033745 0.0176 0.0 -0.02027 -0.1126 -0.035 -0.05738 -0.3245 -0.2422 -0.7043 3082799 TimTec1_000980 Cc1ccccc1C(=O)NC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M13 compound treatment -0.161 -0.17263 -0.8998 0.129 0.10873 0.6042 0.035 0.01262 0.0714 -0.1294 -0.1192 1494508 TimTec1_000981 Cc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n3ccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M14 compound treatment -0.087 -0.098626 -0.5141 -0.036 -0.05627 -0.3127 -0.076 -0.09838 -0.5564 -0.7985 -0.9744 1306757 TimTec1_000982 CN(C1CCCCC1)S(=O)(=O)c2cc(Cl)ccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M15 compound treatment 0.023 0.011374 0.0593 0.037 0.01673 0.093 -0.127 -0.14938 -0.8448 -0.3998 -0.4693 3082802 TimTec1_000983 COc1ccc(/C=N/c2ccc(Br)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M16 compound treatment -0.019 -0.030626 -0.1596 -0.497 -0.51727 -2.8746 0.057 0.03462 0.1958 -1.6387 -0.5679 1154044 TimTec1_000984 COc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M17 compound treatment -0.063 -0.074626 -0.389 -0.054 -0.07427 -0.4127 -0.182 -0.20438 -1.1558 -1.1302 -0.8778 3082804 TimTec1_000985 Fc1ccc(/C=N/c2ccc3ccccc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M18 compound treatment 0.3 0.28837 1.5031 0.161 0.14073 0.7821 -0.17 -0.19238 -1.0879 0.6912 0.3433 1441763 TimTec1_000986 CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M19 compound treatment 0.15 0.13837 0.7212 -0.129 -0.14927 -0.8295 0.835 0.81262 4.5955 2.5907 0.5483 1358509 TimTec1_000987 CN1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3cc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M20 compound treatment -0.098 -0.10963 -0.5714 -0.068 -0.08827 -0.4905 0.031 0.0086202 0.0487 -0.585 -0.7751 1432076 TimTec1_000988 Clc1ccc(NC(=O)CCN2CCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M21 compound treatment 0.048 0.036374 0.1896 0.033 0.01273 0.0707 0.042 0.01962 0.111 0.2144 0.9289 1556893 TimTec1_000989 CCOC(=O)c1cnn(c1NC(=O)C(C)(C)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M22 compound treatment 0.084 0.072374 0.3772 0.187 0.16673 0.9265 0.057 0.03462 0.1958 0.8658 0.8493 3209482 TimTec1_000990 C[C@]1(O)NC(=C(C#N)C(C1[n+]2ccccc2)c3ccc(Cl)cc3)S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M23 mock treatment 0.195 0.18337 0.9558 0.178 0.15773 0.8765 0.0 -0.02238 -0.1266 0.9848 0.7558 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 M24 mock treatment -0.056 -0.067626 -0.3525 -0.013 -0.03327 -0.1849 -0.081 -0.10338 -0.5846 -0.6478 -0.9159 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N01 compound treatment 0.088 0.076374 0.3981 0.059 0.03873 0.2152 -0.042 -0.06438 -0.3641 0.1439 0.2477 1633893 TimTec1_000991 Oc1cccc(c1)C2=NC(=O)c3ccccc3Nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N02 compound treatment -0.007 -0.018626 -0.0971 0.055 0.03473 0.193 0.013 -0.0093798 -0.053 0.0248 0.1113 1083978 TimTec1_000992 CCOC(=O)Nc1ccc(Cl)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N03 compound treatment -0.09 -0.10163 -0.5297 0.099 0.07873 0.4375 0.254 0.23162 1.3099 0.703 0.4753 1379055 TimTec1_000993 CC(=O)OC1C2CCC1C(CC2)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N04 compound treatment -0.088 -0.099626 -0.5193 0.035 0.01473 0.0819 -0.136 -0.15838 -0.8957 -0.7697 -0.7411 1041245 TimTec1_000994 NNC(=O)CCc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N05 compound treatment -0.024 -0.035626 -0.1857 0.143 0.12273 0.682 -0.239 -0.26138 -1.4782 -0.5668 -0.346 1709635 TimTec1_000995 O=C(Nc1ccccc1)OC2C3CCCC2C(CC3)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N06 compound treatment -0.01 -0.021626 -0.1127 0.033 0.01273 0.0707 0.007 -0.01538 -0.087 -0.0744 -0.4683 1189065 TimTec1_000996 Cc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N07 compound treatment -0.205 -0.21663 -1.1291 -0.26 -0.28027 -1.5575 0.218 0.19562 1.1063 -0.9124 -0.4112 1163480 TimTec1_000997 CC(=O)NC1C(=O)N(Cc2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N08 compound treatment 0.164 0.15237 0.7942 0.101 0.08073 0.4486 -0.139 -0.16138 -0.9126 0.1906 0.1478 1111758 TimTec1_000998 Nc1ccc(cc1)c2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N09 compound treatment 0.286 0.27437 1.4301 0.148 0.12773 0.7098 0.174 0.15162 0.8574 1.7305 0.9549 1140426 TimTec1_000999 CN(Cc1ccccc1)C(=O)c2cccc(c2)C(=O)N(C)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N10 compound treatment -0.037 -0.048626 -0.2534 -0.007 -0.02727 -0.1515 -0.105 -0.12738 -0.7204 -0.6497 -0.8345 1327404 TimTec1_001000 COc1ccc(cc1)C(=O)NC(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N11 compound treatment 0.062 0.050374 0.2626 -0.026 -0.04627 -0.2571 0.025 0.0026202 0.0148 0.0117 0.0318 3209483 TimTec1_001001 COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)C)NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N12 compound treatment 0.036 0.024374 0.127 0.006 -0.01427 -0.0793 0.032 0.0096202 0.0544 0.059 0.3701 1566798 TimTec1_001002 CCC(CC)(CN(C)C)OC(=O)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N13 compound treatment -0.014 -0.025626 -0.1336 -0.113 -0.13327 -0.7406 0.051 0.02862 0.1619 -0.4113 -0.5343 3209484 TimTec1_001003 CCCN1CC2(COC)CC[C@H](OC)[C@]3(CC[C@H](COC)[C@@H](O)C[C@@](C)(O)C4(O)[C@@H](OC)[C@@H]32)[C@@H]14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N14 compound treatment -0.155 -0.16663 -0.8685 0.02 -2.7002E-4 -0.0015 0.091 0.06862 0.3881 -0.2782 -0.2925 3082877 TimTec1_001004 Clc1ccc(/C=N/c2ccccn2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N15 compound treatment -0.192 -0.20363 -1.0613 0.014 -0.00627 -0.0348 -0.126 -0.14838 -0.8391 -1.1173 -0.8256 3082878 TimTec1_001005 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)N3CCN(CC3)c4cccc(Cl)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N16 compound treatment 0.09 0.078374 0.4085 -0.158 -0.17827 -0.9907 0.277 0.25462 1.4399 0.4952 0.2759 1649522 TimTec1_001006 O=C1NC(=O)C(CC2CCCN3CCCCC23)C(=O)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N17 compound treatment -0.064 -0.075626 -0.3942 0.079 0.05873 0.3264 0.007 -0.01538 -0.087 -0.0894 -0.1722 3209485 TimTec1_001007 CN(C)/C=N/c1n[nH]c(Nc2ccc(C)c(C)c2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N18 compound treatment 0.123 0.11137 0.5805 -0.013 -0.03327 -0.1849 0.373 0.35062 1.9828 1.3732 0.662 1153859 TimTec1_001008 C[N+]12CCCCC2C(CN3C(=O)c4ccccc4C3=O)CCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N19 compound treatment -0.08 -0.091626 -0.4776 0.036 0.01573 0.0874 -0.013 -0.03538 -0.2001 -0.3408 -0.6489 3082882 TimTec1_001009 CC(=O)NCCOc1ccc(cc1)C2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N20 compound treatment -0.293 -0.30463 -1.5878 -0.025 -0.04527 -0.2516 0.131 0.10862 0.6143 -0.7073 -0.411 1577050 TimTec1_001010 CCc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N21 compound treatment 0.019 0.0073745 0.0384 0.052 0.03173 0.1763 0.158 0.13562 0.767 0.5668 0.7194 3082884 TimTec1_001011 COC(=O)c1ccccc1N(C)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N22 compound treatment -0.085 -0.096626 -0.5036 -0.145 -0.16527 -0.9184 -0.194 -0.21638 -1.2237 -1.5275 -0.9483 3209486 TimTec1_001012 CN(C)c1ccc(cc1)C2NCC(CSc3nc(cc(c3C#N)C(F)(F)F)c4cccs4)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N23 mock treatment 0.045 0.033374 0.174 -0.018 -0.03827 -0.2127 0.161 0.13862 0.7839 0.4302 0.5179 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 N24 mock treatment 0.0 -0.011626 -0.0606 0.03 0.00973 0.0541 0.051 0.02862 0.1619 0.0897 0.4952 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O01 compound treatment -0.08 -0.091626 -0.4776 0.013 -0.00727 -0.0404 -0.039 -0.06138 -0.3471 -0.4995 -0.844 1716121 TimTec1_001013 Clc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O02 compound treatment -0.087 -0.098626 -0.5141 0.082 0.06173 0.343 0.033 0.01062 0.0601 -0.0641 -0.1032 3209487 TimTec1_001014 CCOC(=O)C(C)Sc1nc(ccc1C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O03 compound treatment -0.105 -0.11663 -0.6079 -0.075 -0.09527 -0.5294 0.013 -0.0093798 -0.053 -0.6873 -0.8507 1595818 TimTec1_001015 O=S(=O)(NC1CCCCC1)c2cccc(c2)c3nnc(o3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O04 compound treatment -0.025 -0.036626 -0.1909 0.013 -0.00727 -0.0404 -0.101 -0.12338 -0.6977 -0.5364 -0.7403 1004440 TimTec1_001016 COC(=O)c1ccc(cc1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O05 compound treatment 0.08 0.068374 0.3564 0.006 -0.01427 -0.0793 0.183 0.16062 0.9083 0.6844 0.6991 1455776 TimTec1_001017 OC(=O)CCC(=O)Nc1ccc(Cc2ccncc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O06 compound treatment -0.017 -0.028626 -0.1492 0.2 0.17973 0.9988 -0.119 -0.14138 -0.7995 0.0289 0.0224 3082886 TimTec1_001018 COC1OC(C)C(OCc2ccccc2)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O07 compound treatment 0.195 0.18337 0.9558 0.153 0.13273 0.7376 0.109 0.08662 0.4899 1.2605 0.9675 1682147 TimTec1_001019 CN(C)C(=O)CSc1nnc(N)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O08 compound treatment 0.006 -0.0056255 -0.0293 0.037 0.01673 0.093 0.099 0.07662 0.4333 0.2869 0.646 3082888 TimTec1_001020 OC(=O)c1ccccc1/N=C/c2ccccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O09 compound treatment -0.012 -0.023626 -0.1231 -0.119 -0.13927 -0.7739 0.058 0.03562 0.2014 -0.4016 -0.4964 1398146 TimTec1_001021 O=C(CC1c2ccccc2Oc3ccccc13)Nc4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O10 compound treatment -0.012 -0.023626 -0.1231 0.169 0.14873 0.8265 -0.11 -0.13238 -0.7486 -0.0261 -0.0233 3082890 TimTec1_001022 CCN(c1cccc(C)c1)c2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O11 compound treatment -0.198 -0.20963 -1.0926 -0.41 -0.43027 -2.3911 -0.414 -0.43638 -2.4678 -3.4361 -0.953 3209488 TimTec1_001023 NC1=NN(C(=O)C1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O12 compound treatment -0.107 -0.11863 -0.6183 0.018 -0.00227 -0.0126 -0.081 -0.10338 -0.5846 -0.7018 -0.8246 1608079 TimTec1_001024 COc1ccc(cc1)C(=O)N(CC#N)CC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O13 compound treatment 0.092 0.080374 0.4189 0.126 0.10573 0.5876 0.093 0.07062 0.3994 0.8117 0.9841 1340354 TimTec1_001025 CC(=O)Nc1ccc(cc1)S(=O)(=O)CCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O14 compound treatment -0.092 -0.10363 -0.5401 0.006 -0.01427 -0.0793 0.039 0.01662 0.094 -0.3034 -0.5476 1049845 TimTec1_001026 O=S(=O)(N1CCN(CC1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O15 compound treatment -0.099 -0.11063 -0.5766 -0.137 -0.15727 -0.874 0.08 0.05762 0.3259 -0.6494 -0.5922 3209489 TimTec1_001027 CC(=O)Nc1ccc(/N=C/c2cccc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O16 compound treatment -0.099 -0.11063 -0.5766 0.006 -0.01427 -0.0793 0.102 0.07962 0.4503 -0.1187 -0.1613 1685172 TimTec1_001028 CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O17 compound treatment 0.198 0.18637 0.9714 -0.033 -0.05327 -0.296 0.116 0.09362 0.5294 0.6956 0.6074 1709515 TimTec1_001029 CC(NC(=O)c1sc2nc(C)cc(C)c2c1N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O18 compound treatment -0.083 -0.094626 -0.4932 -0.041 -0.06127 -0.3405 -0.069 -0.09138 -0.5168 -0.7797 -0.9853 3209490 TimTec1_001030 NC1=C(C#N)C(c2cccc(F)c2)n3c(=O)/c(=C\c4cccc(F)c4)/sc3=C1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O19 compound treatment 0.09 0.078374 0.4085 0.036 0.01573 0.0874 0.314 0.29162 1.6492 1.2385 0.728 1220431 TimTec1_001031 Cc1ccc(o1)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O20 compound treatment -0.054 -0.065626 -0.3421 -0.005 -0.02527 -0.1404 -0.018 -0.04038 -0.2284 -0.4104 -0.9443 3209602 TimTec1_001032 CC1(C)NCCC21C(=O)N(Cc3ccccc3)c4ccccc42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O21 compound treatment 0.192 0.18037 0.9402 0.193 0.17273 0.9599 0.099 0.07662 0.4333 1.3472 0.9542 1707435 TimTec1_001033 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O22 compound treatment 0.0 -0.011626 -0.0606 0.399 0.37873 2.1047 0.24 0.21762 1.2307 1.8907 0.7752 1398816 TimTec1_001034 NC1=C(C#N)C(c2ccoc2)c3c([nH]nc3O1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O23 mock treatment 0.185 0.17337 0.9037 -0.018 -0.03827 -0.2127 0.059 0.03662 0.2071 0.5185 0.5451 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 O24 mock treatment 0.081 0.069374 0.3616 0.043 0.02273 0.1263 0.077 0.05462 0.3089 0.46 0.9349 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P01 compound treatment -0.29 -0.30163 -1.5721 0.0 -0.02027 -0.1126 0.409 0.38662 2.1864 0.2896 0.1075 1265807 TimTec1_001035 O=c1cc(c2ccccc2)n(cn1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P02 compound treatment -0.117 -0.12863 -0.6704 -0.038 -0.05827 -0.3238 -0.189 -0.21138 -1.1954 -1.2642 -0.8977 3209603 TimTec1_001036 CN1C2C(N=C1OCC=C)N(C)C(=O)N(C)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P03 compound treatment -0.099 -0.11063 -0.5766 0.2 0.17973 0.9988 0.045 0.02262 0.1279 0.3176 0.2737 1404718 TimTec1_001037 COc1cc(ccc1O)C2OCC3C(C)C=C(C)C2C3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P04 compound treatment 0.082 0.070374 0.3668 -0.101 -0.12127 -0.6739 -0.088 -0.11038 -0.6242 -0.5377 -0.5436 3082971 TimTec1_001038 CN1CN(C(=C1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P05 compound treatment -0.157 -0.16863 -0.8789 -0.09 -0.11027 -0.6128 -0.006 -0.02838 -0.1605 -0.9539 -0.8805 1591413 TimTec1_001039 CC1C=C(C)C2C(C)C1(COC(=O)Nc3ccccc3)COC2c4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P06 compound treatment 0.029 0.017374 0.0906 0.144 0.12373 0.6876 0.604 0.58162 3.2892 2.3483 0.6986 1353881 TimTec1_001040 C=CCC1(C2CCCC2)C(=O)NC(=O)NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P07 compound treatment 0.0 -0.011626 -0.0606 0.006 -0.01427 -0.0793 0.296 0.27362 1.5474 0.8126 0.5241 3082974 TimTec1_001041 N(=c/1\[nH]n(c[n+]1c2ccccc2)c3ccccc3)\c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P08 compound treatment -0.082 -0.093626 -0.488 0.129 0.10873 0.6042 -0.034 -0.05638 -0.3188 -0.117 -0.1393 1117800 TimTec1_001042 Nc1ccc2oc(nc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P09 compound treatment 0.073 0.061374 0.3199 -0.076 -0.09627 -0.535 -0.013 -0.03538 -0.2001 -0.2397 -0.3661 3209604 TimTec1_001043 CC1C2C(O)C3C(N(C)C)C(=C(C(=O)N)C(=O)C3(O)C(=C2Cc4c(O)cccc14)O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P10 compound treatment -0.2 -0.21163 -1.103 -0.117 -0.13727 -0.7628 -0.087 -0.10938 -0.6186 -1.4344 -0.9712 1446940 TimTec1_001044 CCOc1ccc(cc1)C(=O)NC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P11 compound treatment 0.041 0.029374 0.1531 0.09 0.06973 0.3875 0.152 0.12962 0.733 0.7353 0.8721 3082976 TimTec1_001045 FC(F)(F)c1cccc(/N=C/c2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P12 compound treatment 0.222 0.21037 1.0965 1.659 1.6387 6.9365 5.042 5.0196 9.915 10.3623 0.8529 3209605 TimTec1_001046 CC[N+](C)(CC)C/C=C\1/COCO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P13 compound treatment 0.337 0.32537 1.6959 -0.172 -0.19227 -1.0685 -0.114 -0.13638 -0.7713 -0.083 -0.0387 1357190 TimTec1_001047 COc1ccc(CC(=O)N(CC#N)CC#N)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P14 compound treatment -0.064 -0.075626 -0.3942 -0.056 -0.07627 -0.4238 -0.166 -0.18838 -1.0653 -1.0873 -0.8969 3082979 TimTec1_001048 C1OCc2cccc(/C=N/c3nccs3)c2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P15 compound treatment -0.096 -0.10763 -0.561 0.09 0.06973 0.3875 0.236 0.21362 1.2081 0.5973 0.4306 3209606 TimTec1_001049 Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2c4ccc(cc4)C(F)(F)F)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P16 compound treatment -0.106 -0.11763 -0.6131 -0.239 -0.25927 -1.4408 -0.386 -0.40838 -2.3095 -2.5192 -0.9029 2110705 TimTec1_001050 CN(C)c1ccc(/C=N/CC2CCCN3CCCCC23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P17 compound treatment -0.092 -0.10363 -0.5401 -0.189 -0.20927 -1.1629 -0.149 -0.17138 -0.9692 -1.5428 -0.9599 3082982 TimTec1_001051 OC(=O)C(CC(=O)c1ccc(Br)cc1)NCCc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P18 compound treatment 0.012 3.7448E-4 0.002 0.287 0.26673 1.4823 0.134 0.11162 0.6312 1.2214 0.7581 3209607 TimTec1_001052 OC(=O)c1cc(/C=N/c2ccc(cc2)S(=O)(=O)NC3NC=CS3)c4OCOCc4c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P19 compound treatment 0.316 0.30437 1.5865 0.082 0.06173 0.343 0.376 0.35362 1.9998 2.2686 0.8808 1482831 TimTec1_001053 CN(c1cccc2cccnc12)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P20 compound treatment 0.063 0.051374 0.2678 -0.091 -0.11127 -0.6183 0.136 0.11362 0.6425 0.1686 0.181 1207395 TimTec1_001054 CC(C)COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P21 compound treatment -0.16 -0.17163 -0.8946 0.032 0.01173 0.0652 -0.062 -0.08438 -0.4772 -0.7543 -0.7425 3082984 TimTec1_001055 Cn1c(S)nc2sc3CC(CCc3c2c1=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P22 compound treatment 0.712 0.70037 3.6505 0.453 0.43273 2.4048 0.589 0.56662 3.2043 5.346 0.9863 3209608 TimTec1_001056 CCN(CC)C(=S)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P23 mock treatment -0.026 -0.037626 -0.1961 0.044 0.02373 0.1319 0.092 0.06962 0.3937 0.1902 0.4142 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2065 P24 mock treatment -0.145 -0.15663 -0.8164 0.039 0.01873 0.1041 -0.017 -0.03938 -0.2227 -0.5398 -0.6332 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A01 compound treatment 0.015 0.0033745 0.0176 -0.101 -0.12127 -0.6739 0.007 -0.01538 -0.087 -0.4291 -0.6313 3209609 TimTec1_001057 FC(F)(F)c1cc(NC(=O)C(=S)N2CCCCC2)cc(c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A02 compound treatment 0.2 0.18837 0.9819 0.044 0.02373 0.1319 0.243 0.22062 1.2476 1.3633 0.8558 3082986 TimTec1_001058 CCN1C(=C(C#N)C2(CCNCC2)c3nc(C)oc13)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A03 compound treatment 0.345 0.33337 1.7376 -0.195 -0.21527 -1.1963 0.261 0.23862 1.3494 1.0916 0.4359 3082988 TimTec1_001059 Oc1cccc(/C=C\2/NC(=S)SC2=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A04 compound treatment -0.052 -0.063626 -0.3316 0.073 0.05273 0.293 -0.059 -0.08138 -0.4602 -0.288 -0.4511 3209610 TimTec1_001060 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3cnn(c3C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A05 compound treatment -0.253 -0.26463 -1.3793 -0.121 -0.14127 -0.7851 0.191 0.16862 0.9536 -0.699 -0.3776 1135930 TimTec1_001061 O=C(NCCN1CCCCC1)Nc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A06 compound treatment -0.053 -0.064626 -0.3368 -0.153 -0.17327 -0.9629 0.134 0.11162 0.6312 -0.386 -0.3217 1680573 TimTec1_001062 COc1cc(OC)cc(c1)C(C(C#N)C#N)c2nc(C)[nH]c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A07 compound treatment -0.204 -0.21563 -1.1239 0.144 0.12373 0.6876 -0.099 -0.12138 -0.6864 -0.6482 -0.4363 3209611 TimTec1_001063 CCOC(=O)C(N)Cc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A08 compound treatment -0.061 -0.072626 -0.3785 -0.037 -0.05727 -0.3183 0.123 0.10062 0.569 -0.0738 -0.0979 1656439 TimTec1_001064 CCN(CC)C(=S)CSc1nc(cc(c2ccco2)c1C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A09 compound treatment -0.087 -0.098626 -0.5141 -0.057 -0.07727 -0.4294 0.054 0.03162 0.1788 -0.4415 -0.6368 1709298 TimTec1_001065 COc1ccc2CCC(CC3(O)C(=O)N(C)c4ccccc43)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A10 compound treatment 0.038 0.026374 0.1375 0.229 0.20873 1.1599 0.297 0.27462 1.553 1.6457 0.8469 1586331 TimTec1_001066 CC1=CC(c2ccoc2)c3c(S1)oc(N)c(C#N)c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A11 compound treatment -0.259 -0.27063 -1.4106 -0.262 -0.28227 -1.5686 -0.208 -0.23038 -1.3028 -2.4722 -0.9971 3083064 TimTec1_001067 Fc1ccc(CSC(=C(C#N)C#N)Nc2ccc(Br)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A12 compound treatment 0.151 0.13937 0.7265 0.073 0.05273 0.293 0.145 0.12262 0.6934 0.989 0.9453 3209612 TimTec1_001068 CCCN1CC=C2C(C#N)(C#N)C(=C(C)[C@H](c3ccc(cc3)C(=O)OC)[C@@]2(C)C1)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A13 compound treatment -0.068 -0.079626 -0.415 0.019 -0.00127 -0.0071 -0.09 -0.11238 -0.6355 -0.6106 -0.8044 1679027 TimTec1_001069 CC(C)Oc1ccc(cc1)C2C(=C(N)N(c3oc(C)nc23)c4ccccc4)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A14 compound treatment 0.318 0.30637 1.5969 0.059 0.03873 0.2152 0.233 0.21062 1.1911 1.7339 0.8653 3209613 TimTec1_001070 CC(C)(C)C1CC=C2[C@H](C1)[C@H](C(=C(N)C2(C#N)C#N)C#N)c3ccsc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A15 compound treatment 0.079 0.067374 0.3512 0.084 0.06373 0.3542 -0.028 -0.05038 -0.2849 0.2427 0.4226 3209614 TimTec1_001071 CN1C2CCC1[C@@H]3[C@H](C(=C(N)C(C#N)(C#N)C3=C2)C#N)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A16 compound treatment 0.031 0.019374 0.101 -0.006 -0.02627 -0.146 -0.006 -0.02838 -0.1605 -0.1186 -0.4958 1128630 TimTec1_001072 COc1cc(OC)cc(c1)C2SC(=C(C#N)C(=C2C#N)N)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A17 compound treatment 0.036 0.024374 0.127 0.0 -0.02027 -0.1126 0.105 0.08262 0.4672 0.2781 0.5594 3083068 TimTec1_001073 COC(=O)C1=C(N)OC2=C(CCCC2=O)C1c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A18 compound treatment 0.065 0.053374 0.2782 -0.055 -0.07527 -0.4183 -0.065 -0.08738 -0.4941 -0.3662 -0.5197 3209615 TimTec1_001074 Clc1cccc(c1)C(=O)N2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A19 compound treatment -0.013 -0.024626 -0.1284 -0.082 -0.10227 -0.5683 -0.042 -0.06438 -0.3641 -0.6124 -0.8914 1165075 TimTec1_001075 CCOC(=O)C1=C(S)N(C#N)C(=O)C(C#N)C21CCNCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A20 compound treatment -0.064 -0.075626 -0.3942 0.071 0.05073 0.2819 0.013 -0.0093798 -0.053 -0.0954 -0.1958 3083071 TimTec1_001076 CC(NC(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A21 compound treatment -0.081 -0.092626 -0.4828 -0.181 -0.20127 -1.1185 -0.207 -0.22938 -1.2972 -1.6734 -0.9404 1594569 TimTec1_001077 CCOC(=O)C1=C(N)OC(=C(C#N)C1c2ccccc2)c3cccc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A22 compound treatment 0.21 0.19837 1.034 0.176 0.15573 0.8654 0.472 0.44962 2.5427 2.5646 0.8911 1190176 TimTec1_001078 CCOC(=O)C1CCCn2c1nc3sc4CCCCc4c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A23 mock treatment 0.03 0.018374 0.0958 0.013 -0.00727 -0.0404 0.032 0.0096202 0.0544 0.0634 0.5402 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 A24 mock treatment 0.137 0.12537 0.6535 0.035 0.01473 0.0819 -0.091 -0.11338 -0.6412 0.0544 0.0591 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B01 compound treatment 0.09 0.078374 0.4085 -0.014 -0.03427 -0.1904 0.043 0.02062 0.1166 0.1932 0.415 3209616 TimTec1_001079 O=c1oc(nc2scc(c3ccccc3)c12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B02 compound treatment -0.054 -0.065626 -0.3421 0.291 0.27073 1.5045 -0.102 -0.12438 -0.7034 0.265 0.1563 1252791 TimTec1_001080 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccco4)C(=S)Nc5cccc(Cl)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B03 compound treatment -0.006 -0.017626 -0.0919 -0.156 -0.17627 -0.9796 -0.014 -0.03638 -0.2057 -0.7374 -0.7336 3083074 TimTec1_001081 CCC(C)NC(=O)CSc1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B04 compound treatment -0.014 -0.025626 -0.1336 0.908 0.88773 4.9333 0.095 0.07262 0.4107 3.0082 0.6075 3083076 TimTec1_001082 O=C(CCCCn1cnc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B05 compound treatment 0.136 0.12437 0.6483 0.032 0.01173 0.0652 0.322 0.29962 1.6944 1.3902 0.7658 1133090 TimTec1_001083 C1CC2=C(Nc3ncnn3C2c4ccccc4)c5ccccc5C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B06 compound treatment 0.0 -0.011626 -0.0606 0.171 0.15073 0.8376 0.257 0.23462 1.3268 1.2147 0.7735 1354657 TimTec1_001084 CC1CN(C)C(C(C)C21NC(=O)NC2=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B07 compound treatment 0.304 0.29237 1.5239 -0.072 -0.09227 -0.5128 0.463 0.44062 2.4918 2.0224 0.682 3083078 TimTec1_001085 Clc1cnn(Cc2ccccc2)c(=S)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B08 compound treatment -0.045 -0.056626 -0.2951 6.112 6.0917 10.1279 0.413 0.39062 2.209 6.9523 0.6704 3209617 TimTec1_001086 OC(=O)[C@H]1NC(=O)C1Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B09 compound treatment 0.181 0.16937 0.8828 0.026 0.00573 0.0318 0.121 0.09862 0.5577 0.8501 0.8137 1612069 TimTec1_001087 Nc1sc2CCCc2c1C(=O)Nc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B10 compound treatment 0.014 0.0023745 0.0124 0.184 0.16373 0.9099 0.211 0.18862 1.0667 1.1483 0.819 3083081 TimTec1_001088 CC/1=NN(C(=O)\C1=C\2/C(=O)Nc3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B11 compound treatment -0.081 -0.092626 -0.4828 -0.257 -0.27727 -1.5408 -0.264 -0.28638 -1.6195 -2.1034 -0.9197 1674088 TimTec1_001089 Nn1c(nc2ccccc2c1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B12 compound treatment 0.091 0.079374 0.4137 -0.052 -0.07227 -0.4016 0.052 0.02962 0.1675 0.1037 0.1727 1517968 TimTec1_001090 O=C(N1CCc2ccccc12)c3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B13 compound treatment -0.101 -0.11263 -0.587 -0.105 -0.12527 -0.6961 -0.049 -0.07138 -0.4037 -0.9739 -0.9777 1537974 TimTec1_001091 Nc1sc2CCCCCc2c1C(=O)Nc3cccc(Cl)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B14 compound treatment 0.013 0.0013745 0.0072 0.12 0.09973 0.5542 0.063 0.04062 0.2297 0.4567 0.7613 3083084 TimTec1_001092 CCCNC(=O)Cn1nc(cc1C)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B15 compound treatment -0.204 -0.21563 -1.1239 0.021 7.2998E-4 0.0041 -0.013 -0.03538 -0.2001 -0.7621 -0.6675 3209740 TimTec1_001093 Cc1cc(Br)c(NC(=O)C2C(C)(C)C2(C)C)c(Br)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B16 compound treatment -0.31 -0.32163 -1.6764 -0.34 -0.36027 -2.0021 -0.239 -0.26138 -1.4782 -2.9772 -0.9922 1410434 TimTec1_001094 CC(C)(C)c1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B17 compound treatment -0.02 -0.031626 -0.1648 0.02 -2.7002E-4 -0.0015 -0.078 -0.10038 -0.5677 -0.4238 -0.7169 3083156 TimTec1_001095 CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B18 compound treatment 0.168 0.15637 0.8151 0.235 0.21473 1.1933 0.229 0.20662 1.1685 1.8341 0.987 1578203 TimTec1_001096 Fc1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B19 compound treatment 0.11 0.098374 0.5128 0.035 0.01473 0.0819 0.007 -0.01538 -0.087 0.2931 0.5567 3083160 TimTec1_001097 CC(=O)Nc1nonc1/N=C\c2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B20 compound treatment 0.227 0.21537 1.1226 -0.14 -0.16027 -0.8906 0.179 0.15662 0.8857 0.6453 0.383 1344731 TimTec1_001098 Fc1ccc(CNC(=O)c2ccccc2C(=O)Cc3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B21 compound treatment 0.02 0.0083745 0.0436 0.019 -0.00127 -0.0071 0.088 0.06562 0.3711 0.2354 0.6298 1376655 TimTec1_001099 COc1cc(SC)ccc1C(=O)NC2CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B22 compound treatment -0.202 -0.21363 -1.1135 -0.058 -0.07827 -0.435 -0.052 -0.07438 -0.4206 -1.1368 -0.8971 3209741 TimTec1_001100 Oc1ccc(cc1)C(=O)N2Cc3ccccc3N=C2S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B23 mock treatment 0.0 -0.011626 -0.0606 0.108 0.08773 0.4875 0.073 0.05062 0.2863 0.4118 0.7242 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 B24 mock treatment 0.012 3.7448E-4 0.002 -0.03 -0.05027 -0.2794 0.006 -0.01638 -0.0926 -0.2136 -0.7259 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C01 compound treatment 0.15 0.13837 0.7212 0.176 0.15573 0.8654 0.034 0.01162 0.0657 0.954 0.8454 3209742 TimTec1_001101 Cc1cccc(NC(=O)CSc2nsc(SCC(=O)Nc3cccc(C)c3)c2C#N)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C02 compound treatment 0.123 0.11137 0.5805 0.058 0.03773 0.2097 0.233 0.21062 1.1911 1.1439 0.8527 3083163 TimTec1_001102 CCN(CC)c1cc(nc(SCC(=O)c2cccs2)c1C#N)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C03 compound treatment -0.098 -0.10963 -0.5714 -0.022 -0.04227 -0.2349 0.013 -0.0093798 -0.053 -0.4961 -0.8001 3083164 TimTec1_001103 N=c1sc2ccccc2n1C(=O)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C04 compound treatment -0.111 -0.12263 -0.6392 -0.024 -0.04427 -0.246 0.039 0.01662 0.094 -0.4568 -0.6608 3209743 TimTec1_001104 COc1cccc(c1)[C@@H]2[C@H](N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c5ccc(OC)c(F)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C05 compound treatment -0.103 -0.11463 -0.5975 -0.013 -0.03327 -0.1849 -0.097 -0.11938 -0.6751 -0.8415 -0.9144 1213390 TimTec1_001105 O=C(CSC1OC2C=CC=CC2=N1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C06 compound treatment 0.098 0.086374 0.4502 -0.105 -0.12527 -0.6961 0.112 0.08962 0.5068 0.1506 0.155 3209744 TimTec1_001106 CC1CC(=O)C2=C(O1)OC(=C(C#N)C2c3ccccc3C(F)(F)F)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C07 compound treatment 0.121 0.10937 0.5701 -0.048 -0.06827 -0.3794 0.21 0.18762 1.061 0.7227 0.5723 1713226 TimTec1_001107 COc1cc2ccc(=O)oc2c(OC3OC(CO)C(O)C(O)C3O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C08 compound treatment 0.012 3.7448E-4 0.002 -0.025 -0.04527 -0.2516 0.183 0.16062 0.9083 0.3803 0.4035 3083167 TimTec1_001108 Cc1ccc(CSc2nc(ccc2C#N)C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C09 compound treatment 0.071 0.059374 0.3095 -0.037 -0.05727 -0.3183 0.012 -0.01038 -0.0587 -0.039 -0.087 3209745 TimTec1_001109 COc1cc(cc(OC)c1OC)c2c(C#N)c(SCC#N)nc(N)c2C(=O)OC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C10 compound treatment 0.49 0.47837 2.4934 0.517 0.49673 2.7604 0.313 0.29062 1.6435 3.9822 0.9792 3083169 TimTec1_001110 CCc1ccc(cc1)[C@@H]2[C@H]3CN(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C11 compound treatment -0.325 -0.33663 -1.7546 -0.262 -0.28227 -1.5686 -0.263 -0.28538 -1.6139 -2.8504 -0.9988 3209746 TimTec1_001111 Fc1cccc(CSC(=C(C#N)C#N)Nc2ccccc2Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C12 compound treatment 0.121 0.10937 0.5701 -0.012 -0.03227 -0.1793 0.025 0.0026202 0.0148 0.2342 0.3917 3209747 TimTec1_001112 COC(=O)C1=C(N)OC2=C(C1c3ccc(cc3)C(=O)OC)C(=O)CC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C13 compound treatment 0.05 0.038374 0.2 -0.108 -0.12827 -0.7128 0.058 0.03562 0.2014 -0.1798 -0.2343 1123898 TimTec1_001113 COC(=O)[C@@]1(C#N)C([C@@H](C#N)N2[C@@H]1C=Cc3ccccc23)c4cc(OC)cc(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C14 compound treatment -0.021 -0.032626 -0.1701 0.127 0.10673 0.5931 -0.117 -0.13938 -0.7882 -0.2108 -0.2106 1317642 TimTec1_001114 COc1ccc(cc1)c2cc(SCCN3CCOCC3)c(C#N)c(n2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C15 compound treatment 0.151 0.13937 0.7265 0.114 0.09373 0.5209 -0.022 -0.04438 -0.251 0.5752 0.6196 3083174 TimTec1_001115 CCOC(=O)C1=C(N)SC(=C(C#N)C1c2ccco2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C16 compound treatment -0.027 -0.038626 -0.2013 0.067 0.04673 0.2597 0.336 0.31362 1.7736 1.0577 0.5864 1197248 TimTec1_001116 Cc1cc2CC(=C(C#N)C(c3cccc(COc4ccccc4Cl)c3)c2c(=O)o1)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C17 compound treatment -0.13 -0.14163 -0.7382 0.212 0.19173 1.0655 0.134 0.11162 0.6312 0.5534 0.3838 3209748 TimTec1_001117 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(cc2)c3ccccc3)N)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C18 compound treatment -0.126 -0.13763 -0.7173 -0.155 -0.17527 -0.974 0.038 0.01562 0.0883 -0.9255 -0.7631 3083176 TimTec1_001118 CC1CCN(CC1)C(=O)c2ccc(cc2)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C19 compound treatment 0.226 0.21437 1.1174 -0.112 -0.13227 -0.735 -0.025 -0.04738 -0.2679 0.066 0.0484 3209749 TimTec1_001119 CC1=C(C#N)C(C2=C(CC(CC2=O)c3ccc(Br)cc3)O1)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C20 compound treatment 0.123 0.11137 0.5805 -0.058 -0.07827 -0.435 0.074 0.05162 0.2919 0.2526 0.323 3083178 TimTec1_001120 CC(=O)NC(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C21 compound treatment -0.269 -0.28063 -1.4627 -0.099 -0.11927 -0.6628 -0.085 -0.10738 -0.6073 -1.5777 -0.919 3209750 TimTec1_001121 COc1ccc(cc1OC)C(=O)COC2=C(C#N)C3(CCCC3)C(C#N)C(=S)N2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C22 compound treatment -0.026 -0.037626 -0.1961 0.087 0.06673 0.3708 0.156 0.13362 0.7556 0.5371 0.6215 3083180 TimTec1_001122 C1CCc2c(C1)sc3ncnc(Sc4ccccc4)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C23 mock treatment -0.007 -0.018626 -0.0971 0.101 0.08073 0.4486 0.071 0.04862 0.275 0.3617 0.676 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 C24 mock treatment -0.065 -0.076626 -0.3994 0.059 0.03873 0.2152 0.102 0.07962 0.4503 0.1536 0.2404 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D01 compound treatment -0.184 -0.19563 -1.0196 -0.292 -0.31227 -1.7353 -0.052 -0.07438 -0.4206 -1.8334 -0.8917 1699716 TimTec1_001123 CCc1nc2sc(C)c(C)c2c(=O)n1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D02 compound treatment 0.05 0.038374 0.2 -0.041 -0.06127 -0.3405 0.025 0.0026202 0.0148 -0.0725 -0.1836 3209751 TimTec1_001124 CC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D03 compound treatment -0.15 -0.16163 -0.8424 0.154 0.13373 0.7432 0.133 0.11062 0.6256 0.3039 0.2363 3082090 TimTec1_001125 CC(C)(C)NC(=O)CSc1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D04 compound treatment 0.055 0.043374 0.2261 -0.017 -0.03727 -0.2071 0.046 0.02362 0.1336 0.0881 0.2633 1162107 TimTec1_001126 CC(C)N1CCC2(CC1)C(=C(O)NC3=C2C(=O)CC(C)(C)C3)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D05 compound treatment 0.042 0.030374 0.1583 0.025 0.00473 0.0263 -0.097 -0.11938 -0.6751 -0.2832 -0.4081 3209752 TimTec1_001127 COc1ccc(cc1)N2Cc3ccccc3C4(CCOCC4)C2=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D06 compound treatment 0.54 0.52837 2.754 0.18 0.15973 0.8876 0.148 0.12562 0.7104 2.5127 0.8433 3209753 TimTec1_001128 COc1ccc(/N=C(\C)/c2c([nH]n(c3nc4ccccc4s3)c2=O)C(F)(F)F)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D07 compound treatment -0.066 -0.077626 -0.4046 0.345 0.32473 1.8046 -0.116 -0.13838 -0.7826 0.3565 0.1775 1727579 TimTec1_001129 Clc1c(NCC2CCCO2)cnn(Cc3ccccc3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D08 compound treatment 0.068 0.056374 0.2938 -0.084 -0.10427 -0.5794 0.089 0.06662 0.3767 0.0526 0.0701 3082095 TimTec1_001130 Cc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D09 compound treatment 0.018 0.0063745 0.0332 -0.108 -0.12827 -0.7128 -0.025 -0.04738 -0.2679 -0.5471 -0.7177 1199669 TimTec1_001131 CCOc1ccc(NC(=O)c2c(N)sc3CCCc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D10 compound treatment -0.019 -0.030626 -0.1596 0.216 0.19573 1.0877 0.152 0.12962 0.733 0.959 0.7258 1714748 TimTec1_001132 NC(=O)CSc1nc2CC3=C(CCC3)c2c(=O)n1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D11 compound treatment 0.02 0.0083745 0.0436 0.325 0.30473 1.6934 0.21 0.18762 1.061 1.6155 0.8082 1348333 TimTec1_001133 O=c1oc(nc2ccccc12)c3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D12 compound treatment 0.079 0.067374 0.3512 0.028 0.00773 0.043 0.074 0.05162 0.2919 0.3961 0.8636 1118692 TimTec1_001134 O=C(N1CCCc2ccccc12)c3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D13 compound treatment 0.111 0.099374 0.518 0.281 0.26073 1.4489 0.146 0.12362 0.6991 1.5392 0.9107 1352264 TimTec1_001135 CN(C)C(=O)c1c(NC(=O)c2ccc(C)cc2)sc3CCCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D14 compound treatment 0.026 0.014374 0.0749 -0.063 -0.08327 -0.4627 0.039 0.01662 0.094 -0.1696 -0.3548 3209754 TimTec1_001136 CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D15 compound treatment -0.198 -0.20963 -1.0926 -0.199 -0.21927 -1.2185 0.059 0.03662 0.2071 -1.2148 -0.7364 3082099 TimTec1_001137 C=CC[n+]1ccc2ccccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D16 compound treatment -0.329 -0.34063 -1.7754 -0.056 -0.07627 -0.4238 -0.366 -0.38838 -2.1964 -2.5378 -0.8886 3209755 TimTec1_001138 FC(F)(F)c1cccc(c1)C(=O)Oc2ccc(cc2)C3SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D17 compound treatment -0.03 -0.041626 -0.217 -0.033 -0.05327 -0.296 -0.131 -0.15338 -0.8674 -0.797 -0.8462 3082101 TimTec1_001139 CCOc1ccc2ccccc2c1/C=N/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D18 compound treatment -0.148 -0.15963 -0.832 -0.063 -0.08327 -0.4627 -0.119 -0.14138 -0.7995 -1.2091 -0.9726 1260565 TimTec1_001140 Clc1ccc(NC(=O)CN2CCCc3ccccc23)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D19 compound treatment -0.571 -0.58263 -3.0368 -0.076 -0.09627 -0.535 -0.519 -0.54138 -3.0616 -3.8298 -0.8814 1408681 TimTec1_001141 NNC(=O)c1cccc(Cn2cccn2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D20 compound treatment 0.206 0.19437 1.0131 -0.066 -0.08627 -0.4794 0.132 0.10962 0.6199 0.666 0.52 3209756 TimTec1_001142 CC(C)Cn1c(=O)c2ccccc2[nH]c1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D21 compound treatment -0.011 -0.022626 -0.1179 0.082 0.06173 0.343 -0.038 -0.06038 -0.3415 -0.0672 -0.1348 1521586 TimTec1_001143 Cc1ccccc1OCc2nnc(SCC(=O)N)n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D22 compound treatment 0.319 0.30737 1.6021 0.245 0.22473 1.2489 0.319 0.29662 1.6774 2.6145 0.9924 3209757 TimTec1_001144 COc1ccc(/C=N/C2=NNC(=O)C(CC(=O)O)S2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D23 mock treatment 0.027 0.015374 0.0801 0.036 0.01573 0.0874 0.025 0.0026202 0.0148 0.1053 0.881 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 D24 mock treatment -0.207 -0.21863 -1.1395 0.019 -0.00127 -0.0071 -0.012 -0.03438 -0.1944 -0.7742 -0.6697 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E01 compound treatment 0.0 -0.011626 -0.0606 -0.114 -0.13427 -0.7462 0.007 -0.01538 -0.087 -0.516 -0.6847 1632993 TimTec1_001145 NC(=O)c1cnn2c(N)c(C#N)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E02 compound treatment 0.013 0.0013745 0.0072 0.203 0.18273 1.0155 -0.077 -0.09938 -0.562 0.2659 0.2291 1454243 TimTec1_001146 CC(C)OC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(cc2)C(C)C)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E03 compound treatment 0.104 0.092374 0.4815 -0.028 -0.04827 -0.2682 -0.028 -0.05038 -0.2849 -0.0414 -0.0667 3082105 TimTec1_001147 COc1cc(/C=N\C2=NN(CC2)c3ccccc3)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E04 compound treatment 0.146 0.13437 0.7004 -0.05 -0.07027 -0.3905 0.0 -0.02238 -0.1266 0.1058 0.1304 3209876 TimTec1_001148 C[C@@H]1[C@H](N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N)c4ccc(F)c(Br)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E05 compound treatment 0.081 0.069374 0.3616 0.026 0.00573 0.0318 0.113 0.09062 0.5125 0.523 0.8328 1448274 TimTec1_001149 Cc1ccc2cccc(SC(=O)NCC3CCCO3)c2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E06 compound treatment -0.032 -0.043626 -0.2274 0.01 -0.01027 -0.0571 -0.137 -0.15938 -0.9013 -0.6846 -0.7351 3082108 TimTec1_001150 NC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E07 compound treatment -0.05 -0.061626 -0.3212 0.086 0.06573 0.3653 0.064 0.04162 0.2354 0.1613 0.2986 1046360 TimTec1_001151 CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n2ccc(=O)[nH]c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E08 compound treatment 0.104 0.092374 0.4815 -0.086 -0.10627 -0.5906 0.16 0.13762 0.7783 0.3864 0.3547 1129068 TimTec1_001152 CN1CCc2c(nc(OCc3ccccc3Br)c(C#N)c2C1)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E09 compound treatment -0.098 -0.10963 -0.5714 -0.048 -0.06827 -0.3794 0.084 0.06162 0.3485 -0.3477 -0.452 3082110 TimTec1_001153 CSc1nc(SCC(=O)c2ccc3OCOc3c2)nc(N)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E10 compound treatment -0.091 -0.10263 -0.5349 -0.135 -0.15527 -0.8629 -0.122 -0.14438 -0.8165 -1.2784 -0.9813 1730487 TimTec1_001154 Cc1nc(C(=O)N)c(NCC=C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E11 compound treatment -0.089 -0.10063 -0.5245 0.033 0.01273 0.0707 -0.088 -0.11038 -0.6242 -0.6224 -0.7605 1334043 TimTec1_001155 COc1cc2CCN(Cc2cc1OC)C(=O)Cn3c(C)cc(C)c(C#N)c3=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E12 compound treatment 0.028 0.016374 0.0853 -0.066 -0.08627 -0.4794 0.108 0.08562 0.4842 0.052 0.0758 1513685 TimTec1_001156 O=C(c1ccccc1)[C@@]2(C[C@@H](C#N)N3[C@@H]2C=Cc4ccccc34)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E13 compound treatment 0.117 0.10537 0.5492 -0.047 -0.06727 -0.3738 -0.013 -0.03538 -0.2001 -0.0142 -0.0205 1696559 TimTec1_001157 CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E14 compound treatment 0.17 0.15837 0.8255 -0.049 -0.06927 -0.3849 0.043 0.02062 0.1166 0.3217 0.3503 3209877 TimTec1_001158 CCOC(=O)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3cccc(c3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E15 compound treatment 0.108 0.096374 0.5023 -0.057 -0.07727 -0.4294 0.0 -0.02238 -0.1266 -0.031 -0.046 1628055 TimTec1_001159 OC(=O)c1ccc(cc1)c2cc(c3cccs3)c(C#N)c(SCc4cccs4)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E16 compound treatment 0.099 0.087374 0.4554 -0.075 -0.09527 -0.5294 0.113 0.09062 0.5125 0.2531 0.2922 1516512 TimTec1_001160 CC1=C(C(C(=C(S)S1)C#N)c2ccc[nH]2)C(=O)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E17 compound treatment 0.097 0.085374 0.445 0.032 0.01173 0.0652 -0.066 -0.08838 -0.4998 0.006 0.0089 1382001 TimTec1_001161 COc1cc(OC)cc(c1)C2C(=C(N)Nc3oc(C)nc23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E18 compound treatment 0.01 -0.0016255 -0.0085 0.013 -0.00727 -0.0404 -0.03 -0.05238 -0.2962 -0.1992 -0.6662 3082493 TimTec1_001162 CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E19 compound treatment -0.007 -0.018626 -0.0971 0.063 0.04273 0.2375 -0.013 -0.03538 -0.2001 -0.0345 -0.1059 3082494 TimTec1_001163 FC(F)(F)c1cc(c2cccs2)c(C#N)c(S)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E20 compound treatment -0.026 -0.037626 -0.1961 0.051 0.03073 0.1708 -0.036 -0.05838 -0.3301 -0.2052 -0.4884 3209878 TimTec1_001164 CC1(C)C(C(=O)Nc2ccccc2C(F)(F)F)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E21 compound treatment 0.043 0.031374 0.1635 -0.071 -0.09127 -0.5072 0.033 0.01062 0.0601 -0.1637 -0.3053 3209879 TimTec1_001165 CC(C)N1C/C(=C\c2ccccc2)/C(=O)\C(=C/c3ccccc3)\C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E22 compound treatment -0.355 -0.36663 -1.9109 -0.275 -0.29527 -1.6409 -0.306 -0.32838 -1.857 -3.1228 -0.9979 1473801 TimTec1_001166 CCOC(=O)c1c(N)sc2c(OCC)c(Br)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E23 mock treatment 0.037 0.025374 0.1323 -0.045 -0.06527 -0.3627 -0.036 -0.05838 -0.3301 -0.3237 -0.6372 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 E24 mock treatment -0.029 -0.040626 -0.2117 0.154 0.13373 0.7432 -0.094 -0.11638 -0.6581 -0.0732 -0.0721 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F01 compound treatment 0.116 0.10437 0.544 0.027 0.00673 0.0374 -0.025 -0.04738 -0.2679 0.181 0.2979 1148234 TimTec1_001167 Cc1sc(NC(=O)c2ccccc2)c(C(=O)N3CCCCC3)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F02 compound treatment -0.168 -0.17963 -0.9363 -0.042 -0.06227 -0.346 -0.224 -0.24638 -1.3933 -1.5448 -0.9013 3082495 TimTec1_001168 NCc1c[nH]nc1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F03 compound treatment -0.124 -0.13563 -0.7069 0.0 -0.02027 -0.1126 0.196 0.17362 0.9819 0.0937 0.0771 3082496 TimTec1_001169 CCCCC(=O)c1ccc(C)[nH]c1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F04 compound treatment 0.028 0.016374 0.0853 0.052 0.03173 0.1763 -0.08 -0.10238 -0.579 -0.1832 -0.2997 3209880 TimTec1_001170 FC(F)(F)c1cc([nH]c(=S)c1C#N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F05 compound treatment 0.013 0.0013745 0.0072 -0.137 -0.15727 -0.874 0.497 0.47462 2.6841 1.0492 0.3717 1552345 TimTec1_001171 OC1CS(=O)(=O)CC1NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F06 compound treatment 0.121 0.10937 0.5701 -0.041 -0.06127 -0.3405 -0.092 -0.11438 -0.6468 -0.2409 -0.2599 3209881 TimTec1_001172 Cn1ncc(Br)c1c2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F07 compound treatment 0.092 0.080374 0.4189 0.115 0.09473 0.5264 0.007 -0.01538 -0.087 0.4956 0.7306 1231705 TimTec1_001173 Clc1c(NCCc2ccccc2)cnn(c3ccccc3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F08 compound treatment 0.024 0.012374 0.0645 -0.22 -0.24027 -1.3352 0.057 0.03462 0.1958 -0.6206 -0.4594 3082497 TimTec1_001174 COc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F09 compound treatment 0.243 0.23137 1.206 -0.032 -0.05227 -0.2905 0.129 0.10662 0.603 0.8767 0.6356 1268647 TimTec1_001175 O=C(Nc1ccccc1)c2c(NC(=O)c3ccccc3)sc4CCCCc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F10 compound treatment -0.085 -0.096626 -0.5036 0.026 0.00573 0.0318 0.169 0.14662 0.8292 0.2063 0.2126 1547144 TimTec1_001176 CC(NC(=O)CSc1nc2CC3=C(CCCC3)c2c(=O)n1C)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F11 compound treatment -0.043 -0.054626 -0.2847 -0.018 -0.03827 -0.2127 -0.106 -0.12838 -0.726 -0.7063 -0.8738 1204419 TimTec1_001177 CC1CCc2c(C(=O)Nc3ccc(Cl)cc3)c(N)sc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F12 compound treatment -0.012 -0.023626 -0.1231 -0.012 -0.03227 -0.1793 0.066 0.04362 0.2467 -0.0322 -0.0979 1256297 TimTec1_001178 C(Cc1ccco1)C2NCCn3cccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F13 compound treatment 0.101 0.089374 0.4658 0.046 0.02573 0.143 0.448 0.42562 2.407 1.7412 0.709 1201070 TimTec1_001179 CCOC(=O)c1c(NC(=O)C)sc2CCCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F14 compound treatment 0.063 0.051374 0.2678 -0.206 -0.22627 -1.2574 -0.007 -0.02938 -0.1661 -0.6673 -0.5148 1590373 TimTec1_001180 CC(NC(=O)CC(c1ccccc1)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F15 compound treatment -0.113 -0.12463 -0.6496 0.201 0.18073 1.0043 0.069 0.04662 0.2636 0.357 0.2915 1021946 TimTec1_001181 OC(=O)C1CCCN1C(=O)OCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F16 compound treatment 0.065 0.053374 0.2782 0.019 -0.00127 -0.0071 -0.025 -0.04738 -0.2679 0.0018 0.0048 3209882 TimTec1_001182 CCOc1ccc(cc1)N2C(=O)CCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F17 compound treatment 0.194 0.18237 0.9506 0.302 0.28173 1.5656 0.113 0.09062 0.5125 1.7486 0.9194 3209883 TimTec1_001183 CCn1c2C(=O)CCCc2c3cc(Br)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F18 compound treatment -0.195 -0.20663 -1.077 -0.094 -0.11427 -0.635 -0.053 -0.07538 -0.4263 -1.2345 -0.9346 1674582 TimTec1_001184 OCCN(CC(=O)Nc1ccc(F)cc1)C(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F19 compound treatment -0.09 -0.10163 -0.5297 -0.119 -0.13927 -0.7739 -0.067 -0.08938 -0.5055 -1.0445 -0.9804 1384058 TimTec1_001185 Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F20 compound treatment 0.185 0.17337 0.9037 0.083 0.06273 0.3486 -0.024 -0.04638 -0.2623 0.5716 0.5696 1143739 TimTec1_001186 CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc3ccccc3c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F21 compound treatment -0.091 -0.10263 -0.5349 -0.119 -0.13927 -0.7739 0.13 0.10762 0.6086 -0.4043 -0.3608 1602491 TimTec1_001187 COC(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F22 compound treatment -0.314 -0.32563 -1.6972 -0.038 -0.05827 -0.3238 -0.027 -0.04938 -0.2793 -1.3281 -0.7588 3082498 TimTec1_001188 Brc1ccc(cc1)C(=O)CN2CCCC2=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F23 mock treatment 0.151 0.13937 0.7265 0.051 0.03073 0.1708 -0.056 -0.07838 -0.4433 0.2621 0.302 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 F24 mock treatment -0.019 -0.030626 -0.1596 0.064 0.04373 0.243 -0.034 -0.05638 -0.3188 -0.1359 -0.315 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G01 compound treatment 0.073 0.061374 0.3199 0.041 0.02073 0.1152 -0.056 -0.07838 -0.4433 -0.0047 -0.0084 1278450 TimTec1_001189 CCOC(=O)c1cnn2c(N)c(C#N)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G02 compound treatment 0.062 0.050374 0.2626 -0.041 -0.06127 -0.3405 0.028 0.0056202 0.0318 -0.0266 -0.0618 1287956 TimTec1_001190 NC1=C(C#N)C(c2ccccc2Cl)c3c(S1)oc(cc3=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G03 compound treatment -0.26 -0.27163 -1.4158 -0.076 -0.09627 -0.535 0.324 0.30162 1.7057 -0.1415 -0.062 1053983 TimTec1_001191 COC(=O)C1CNc2ccccc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G04 compound treatment 0.08 0.068374 0.3564 -0.103 -0.12327 -0.685 0.264 0.24162 1.3664 0.5992 0.3817 3082499 TimTec1_001192 COC(=O)C1=C(N)OC(=C(C#N)C1c2ccncc2)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G05 compound treatment 0.189 0.17737 0.9245 0.054 0.03373 0.1874 0.402 0.37962 2.1468 1.8815 0.8024 3209884 TimTec1_001193 CC1=CC(C)(C)CC(=S)N1c2cccc(F)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G06 compound treatment 0.082 0.070374 0.3668 -0.035 -0.05527 -0.3071 0.694 0.67162 3.7981 2.2273 0.5818 3082500 TimTec1_001194 NC1=C(C#N)C(=C(C#N)C(S1)c2cccs2)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G07 compound treatment 0.202 0.19037 0.9923 -0.089 -0.10927 -0.6072 0.059 0.03662 0.2071 0.3419 0.2893 3209885 TimTec1_001195 O=C1CNC(=S)N1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G08 compound treatment -0.107 -0.11863 -0.6183 0.107 0.08673 0.482 -0.069 -0.09138 -0.5168 -0.3771 -0.4016 1277858 TimTec1_001196 Cc1c2cc(sc2nc3c(O)cc(=O)[nH]c13)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G09 compound treatment -0.256 -0.26763 -1.3949 0.049 0.02873 0.1597 0.318 0.29562 1.6718 0.252 0.1154 1296353 TimTec1_001197 CCOC(=O)c1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G10 compound treatment 0.115 0.10337 0.5388 0.238 0.21773 1.21 0.11 0.08762 0.4955 1.2957 0.9163 3209886 TimTec1_001198 OC(=O)c1c(SC(C#N)c2ccc(Cl)cc2)nc(cc1c3ccccc3)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G11 compound treatment -0.109 -0.12063 -0.6287 -0.037 -0.05727 -0.3183 -0.062 -0.08438 -0.4772 -0.8222 -0.9661 1298662 TimTec1_001199 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccc3OCCOc3c2)SCC(=O)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G12 compound treatment 0.006 -0.0056255 -0.0293 0.018 -0.00227 -0.0126 0.132 0.10962 0.6199 0.3337 0.5376 1652210 TimTec1_001200 COC(=O)C1=C(N)OC(=C(C1c2ccc(OC)c(OC)c2)C(=O)OC)CC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G13 compound treatment -0.102 -0.11363 -0.5922 0.062 0.04173 0.2319 -0.014 -0.03638 -0.2057 -0.3268 -0.4889 1672888 TimTec1_001201 Oc1cc(=O)c2sc3nc(c4cccnc4)c5CCCCc5c3c2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G14 compound treatment 0.101 0.089374 0.4658 -0.013 -0.03327 -0.1849 0.124 0.10162 0.5747 0.494 0.6478 1564023 TimTec1_001202 CC(C)c1ccc(cc1)C2C3CN(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G15 compound treatment -0.01 -0.021626 -0.1127 0.076 0.05573 0.3097 0.102 0.07962 0.4503 0.3737 0.6697 3210009 TimTec1_001203 COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C2C=C1)(C(=O)OC)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G16 compound treatment -0.108 -0.11963 -0.6235 0.058 0.03773 0.2097 -0.333 -0.35538 -2.0097 -1.3993 -0.6617 1397215 TimTec1_001204 CCNC(=O)c1sc(C)nc1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G17 compound treatment 0.023 0.011374 0.0593 0.088 0.06773 0.3764 -0.145 -0.16738 -0.9466 -0.295 -0.2891 3082503 TimTec1_001205 CSc1nc(SCC(=O)C(C)C)nc(N)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G18 compound treatment -0.036 -0.047626 -0.2482 0.209 0.18873 1.0488 0.084 0.06162 0.3485 0.6634 0.5857 1115621 TimTec1_001206 CC(=O)Nc1nc2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G19 compound treatment 0.123 0.11137 0.5805 -0.066 -0.08627 -0.4794 0.146 0.12362 0.6991 0.462 0.4497 3210010 TimTec1_001207 NC1=C(C#N)C(c2ccc(Br)cc2)c3c(N1)c4ccccc4oc3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G20 compound treatment -0.057 -0.068626 -0.3577 0.115 0.09473 0.5264 0.045 0.02262 0.1279 0.1713 0.2638 1129886 TimTec1_001208 CC1(C)C(C(=O)Nc2ccccc2C#N)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G21 compound treatment -0.227 -0.23863 -1.2438 -0.036 -0.05627 -0.3127 -0.098 -0.12038 -0.6808 -1.2917 -0.8896 1646804 TimTec1_001209 CC1=CC(=C(C#N)C(=S)C1CC(=O)c2cccs2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G22 compound treatment -0.065 -0.076626 -0.3994 -0.095 -0.11527 -0.6406 -0.063 -0.08538 -0.4828 -0.8792 -0.9811 1362352 TimTec1_001210 Cc1ccc(cc1)S(=O)(=O)N(CCO)c2cc3CCCCc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G23 mock treatment 0.132 0.12037 0.6274 0.042 0.02173 0.1208 0.166 0.14362 0.8122 0.9009 0.8718 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 G24 mock treatment 0.072 0.060374 0.3147 0.011 -0.00927 -0.0515 -0.094 -0.11638 -0.6581 -0.228 -0.3118 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H01 compound treatment -0.072 -0.083626 -0.4359 0.173 0.15273 0.8487 0.042 0.01962 0.111 0.3024 0.3148 1120313 TimTec1_001211 Cn1c2C(=O)CCCCc2c3cc(ccc13)C4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H02 compound treatment 0.034 0.022374 0.1166 0.167 0.14673 0.8154 -0.182 -0.20438 -1.1558 -0.1292 -0.091 3082508 TimTec1_001212 CC/1=NN(C(=O)\C1=C/c2c[nH]nc2c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H03 compound treatment 0.092 0.080374 0.4189 0.068 0.04773 0.2652 -0.07 -0.09238 -0.5224 0.0934 0.1297 1013623 TimTec1_001213 NC(=O)c1nnn(Cc2ccccc2)c1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H04 compound treatment -0.08 -0.091626 -0.4776 0.006 -0.01427 -0.0793 -0.006 -0.02838 -0.1605 -0.4142 -0.8121 3210011 TimTec1_001214 FC(F)(F)c1cc(oc(=S)c1C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H05 compound treatment 0.088 0.076374 0.3981 -0.053 -0.07327 -0.4072 0.168 0.14562 0.8235 0.4702 0.4696 1733044 TimTec1_001215 NC(=O)c1ccc(nc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H06 compound treatment 0.045 0.033374 0.174 -0.11 -0.13027 -0.7239 0.072 0.04962 0.2806 -0.1555 -0.1955 1733896 TimTec1_001216 O=C(NCCC(c1ccccc1)c2ccccc2)c3cc4ccccc4c(=O)o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H07 compound treatment 0.0 -0.011626 -0.0606 -0.37 -0.39027 -2.1688 0.75 0.72762 4.1148 1.0886 0.234 1785401 TimTec1_001217 Clc1c(NCC2CCCO2)cn[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H08 compound treatment -0.207 -0.21863 -1.1395 0.184 0.16373 0.9099 -0.208 -0.23038 -1.3028 -0.8848 -0.4525 3210012 TimTec1_001218 Cc1cc(C)c(C(=O)N2Cc3ccccc3N=C2S)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H09 compound treatment 0.121 0.10937 0.5701 0.062 0.04173 0.2319 0.08 0.05762 0.3259 0.6512 0.9351 1181388 TimTec1_001219 O=C(Nc1ccccc1)C(=C2CCCC2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H10 compound treatment 0.382 0.37037 1.9305 0.058 0.03773 0.2097 0.17 0.14762 0.8348 1.7176 0.8126 1174029 TimTec1_001220 C(N1CCN(Cc2ccccc2)C1c3ccco3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H11 compound treatment 0.031 0.019374 0.101 0.036 0.01573 0.0874 0.0 -0.02238 -0.1266 0.0357 0.194 1687568 TimTec1_001221 O=C(Nc1ccccc1C(=O)Nc2ccccc2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H12 compound treatment -0.037 -0.048626 -0.2534 0.013 -0.00727 -0.0404 -0.099 -0.12138 -0.6864 -0.566 -0.7723 1393827 TimTec1_001222 CCc1ccc(cc1)C(=O)CC2OC(=O)c3c2ccc(OC)c3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H13 compound treatment -0.013 -0.024626 -0.1284 -0.014 -0.03427 -0.1904 0.406 0.38362 2.1694 1.0685 0.4898 1145002 TimTec1_001223 CCC(=O)Nc1sc2CCCCCc2c1C(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H14 compound treatment -0.118 -0.12963 -0.6756 -0.019 -0.03927 -0.2182 -0.062 -0.08438 -0.4772 -0.7916 -0.9253 3210013 TimTec1_001224 Clc1ccc(SC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H15 compound treatment 0.269 0.25737 1.3415 -0.096 -0.11627 -0.6461 0.483 0.46062 2.6049 1.9054 0.635 1022241 TimTec1_001225 O=C1CCN(N1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H16 compound treatment -0.04 -0.051626 -0.2691 -0.041 -0.06127 -0.3405 0.089 0.06662 0.3767 -0.1344 -0.2339 3082550 TimTec1_001226 CC(C)(C)c1ccc(cc1)N2C(=O)CCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H17 compound treatment 0.052 0.040374 0.2104 0.08 0.05973 0.3319 0.031 0.0086202 0.0487 0.3413 0.8618 3210014 TimTec1_001227 N/N=C/1\CCCc2c1[nH]c3ccc(cc23)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H18 compound treatment -0.025 -0.036626 -0.1909 0.087 0.06673 0.3708 -0.061 -0.08338 -0.4715 -0.1684 -0.2674 1154220 TimTec1_001228 Cc1n[nH]c2oc(=O)c(Cc3cccc(C)c3)c(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H19 compound treatment -0.075 -0.086626 -0.4515 -0.037 -0.05727 -0.3183 0.055 0.03262 0.1845 -0.3379 -0.5802 1503917 TimTec1_001229 Clc1ccc(cc1)C(=O)c2oc3ccccc3c2c4cnn(c4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H20 compound treatment 0.087 0.075374 0.3929 -0.261 -0.28127 -1.5631 0.123 0.10062 0.569 -0.3471 -0.2031 1445779 TimTec1_001230 Fc1ccc(CSc2nc3ccccc3c(=O)n2c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H21 compound treatment -0.061 -0.072626 -0.3785 -0.037 -0.05727 -0.3183 -0.094 -0.11638 -0.6581 -0.7823 -0.9502 1530713 TimTec1_001231 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H22 compound treatment -0.051 -0.062626 -0.3264 -0.088 -0.10827 -0.6017 -0.14 -0.16238 -0.9183 -1.066 -0.9307 3082554 TimTec1_001232 FC(F)(F)C1=Nc2ccccc2N(C1)c3ccc(Cl)c(Cl)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H23 mock treatment 0.153 0.14137 0.7369 -0.012 -0.03227 -0.1793 0.027 0.0046202 0.0261 0.337 0.4441 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 H24 mock treatment 0.0 -0.011626 -0.0606 0.024 0.00373 0.0207 0.044 0.02162 0.1223 0.0476 0.3447 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I01 compound treatment -0.103 -0.11463 -0.5975 -0.111 -0.13127 -0.7295 0.039 0.01662 0.094 -0.7118 -0.7512 1641212 TimTec1_001233 Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I02 compound treatment 0.028 0.016374 0.0853 0.007 -0.01327 -0.0737 0.048 0.02562 0.1449 0.0904 0.4921 1202800 TimTec1_001234 CC1=C(C#N)C(C(=C(N)O1)C(=O)OCc2ccccc2)c3cc(F)ccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I03 compound treatment 0.059 0.047374 0.2469 0.03 0.00973 0.0541 -0.098 -0.12038 -0.6808 -0.2193 -0.3019 1249954 TimTec1_001235 CC(C)c1ccc(C)cc1OCc2ccc(N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I04 compound treatment 0.047 0.035374 0.1844 0.176 0.15573 0.8654 0.288 0.26562 1.5021 1.4734 0.8451 3210015 TimTec1_001236 COc1cc(OCCN2CCOCC2)ccc1C3C(=C(N)Oc4[nH]c(nc34)C(F)(F)F)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I05 compound treatment -0.119 -0.13063 -0.6809 0.041 0.02073 0.1152 0.17 0.14762 0.8348 0.1554 0.1434 3082557 TimTec1_001237 CC(C)c1ccc(cc1)N2C(=CC(C)(C)NC2=S)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I06 compound treatment 0.057 0.045374 0.2365 0.018 -0.00227 -0.0126 0.084 0.06162 0.3485 0.3305 0.7843 1171191 TimTec1_001238 CCCc1n[nH]c2N(C(=C(C#N)C(c3c(C)onc3Cl)c12)N)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I07 compound treatment 0.062 0.050374 0.2626 0.068 0.04773 0.2652 -0.127 -0.14938 -0.8448 -0.183 -0.1981 1003607 TimTec1_001239 OC(=O)c1cc(nc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I08 compound treatment -0.061 -0.072626 -0.3785 0.042 0.02173 0.1208 -0.177 -0.19938 -1.1275 -0.7998 -0.669 1696034 TimTec1_001240 CC(C)OC(=O)c1cc(N)c2c(c(sc2n1)c3cccs3)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I09 compound treatment 0.063 0.051374 0.2678 0.012 -0.00827 -0.046 0.188 0.16562 0.9366 0.6688 0.6858 3082561 TimTec1_001241 NC(=O)COc1ccc(cc1)C2C(=C(N)Oc3[nH]c(nc23)c4ccccc4)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I10 compound treatment 0.0 -0.011626 -0.0606 -0.007 -0.02727 -0.1515 0.132 0.10962 0.6199 0.2354 0.3673 1275672 TimTec1_001242 CC(C)(C)c1cc(c2cccs2)c(C#N)c(SCC(=O)Oc3ccccc3)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I11 compound treatment -0.07 -0.081626 -0.4255 -0.115 -0.13527 -0.7517 -0.086 -0.10838 -0.6129 -1.0335 -0.9758 1564906 TimTec1_001243 COCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccccc3COc4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I12 compound treatment 0.007 -0.0046255 -0.0241 -0.014 -0.03427 -0.1904 -0.099 -0.12138 -0.6864 -0.5202 -0.7298 1280361 TimTec1_001244 CC(C)(C)c1nc2C(C(=C(N)Nc2o1)C(=O)N)c3ccc(OCC#N)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I13 compound treatment 0.022 0.010374 0.0541 -0.046 -0.06627 -0.3683 -0.11 -0.13238 -0.7486 -0.6136 -0.7339 1705544 TimTec1_001245 CC(C)c1ccc(cc1)C2C(=C(N)Oc3[nH]c(C)nc23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I14 compound treatment 0.063 0.051374 0.2678 -0.05 -0.07027 -0.3905 -0.007 -0.02938 -0.1661 -0.1668 -0.3324 1235982 TimTec1_001246 CC1=C(OC(=C(C#N)C1c2ccc(F)cc2)N)C(=O)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I15 compound treatment -0.016 -0.027626 -0.144 0.054 0.03373 0.1874 -0.144 -0.16638 -0.9409 -0.5181 -0.5341 1422848 TimTec1_001247 COC(=O)C1=C(C)Oc2oc(C)cc(=O)c2C1c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I16 compound treatment -0.05 -0.061626 -0.3212 0.181 0.16073 0.8932 0.385 0.36262 2.0507 1.5142 0.6701 1729172 TimTec1_001248 Nc1sc(NCC=C)c(C(=O)c2ccc(Br)s2)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I17 compound treatment -0.046 -0.057626 -0.3004 0.128 0.10773 0.5987 0.249 0.22662 1.2816 0.9122 0.6308 1693885 TimTec1_001249 CCCc1nc2C(C(=C(N)Oc2o1)C#N)c3cccc(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I18 compound treatment 0.227 0.21537 1.1226 -0.091 -0.11127 -0.6183 0.088 0.06562 0.3711 0.5054 0.3788 1371394 TimTec1_001250 Clc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I19 compound treatment -0.119 -0.13063 -0.6809 -0.093 -0.11327 -0.6295 0.096 0.07362 0.4163 -0.5161 -0.5078 3210016 TimTec1_001251 CC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I20 compound treatment -0.154 -0.16563 -0.8633 -0.316 -0.33627 -1.8687 -0.102 -0.12438 -0.7034 -1.9834 -0.9118 3082567 TimTec1_001252 CC1(C)C(C(=O)Nc2nccs2)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I21 compound treatment -0.031 -0.042626 -0.2222 -0.077 -0.09727 -0.5405 -0.163 -0.18538 -1.0484 -1.0456 -0.8712 3210017 TimTec1_001253 COCCC(=O)C1=CSC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I22 compound treatment -0.293 -0.30463 -1.5878 -0.105 -0.12527 -0.6961 -0.219 -0.24138 -1.365 -2.1067 -0.9547 3082601 TimTec1_001254 O=c1n2CCCc2nc3scc(c4ccccc4)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I23 mock treatment 0.057 0.045374 0.2365 0.0 -0.02027 -0.1126 -0.071 -0.09338 -0.5281 -0.2334 -0.3959 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 I24 mock treatment -0.179 -0.19063 -0.9936 0.14 0.11973 0.6654 0.041 0.01862 0.1053 -0.1287 -0.1072 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J01 compound treatment 0.824 0.81237 4.2343 0.705 0.68473 3.8052 0.042 0.01962 0.111 4.7056 0.8264 1686618 TimTec1_001255 COC(=O)C1(CC2(CC3(CC(C1)(C(=O)OC)C2=O)C(=O)OC)C(=O)OC)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J02 compound treatment 0.174 0.16237 0.8463 -0.06 -0.08027 -0.4461 0.228 0.20562 1.1628 0.9024 0.5993 3210018 TimTec1_001256 CCOc1cc(/C=C\2/SC(=N)N(C2=O)c3nccs3)ccc1OCCN4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J03 compound treatment -0.041 -0.052626 -0.2743 0.0 -0.02027 -0.1126 0.072 0.04962 0.2806 -0.0614 -0.1504 1190635 TimTec1_001257 CC1OC(NC(=O)c2ccccc2F)C(NC(=O)c3ccccc3F)OC1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J04 compound treatment -0.117 -0.12863 -0.6704 -0.084 -0.10427 -0.5794 0.063 0.04062 0.2297 -0.589 -0.6434 1013629 TimTec1_001258 OC(=O)c1cc(Cc2ccc(O)c(c2)C(=O)O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J05 compound treatment 0.121 0.10937 0.5701 0.058 0.03773 0.2097 -0.038 -0.06038 -0.3415 0.2531 0.3632 3082606 TimTec1_001259 Clc1ccc(OCCCC(=O)Nc2ccc3OCCOc3c2)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J06 compound treatment 0.012 3.7448E-4 0.002 -0.054 -0.07427 -0.4127 0.304 0.28162 1.5926 0.6823 0.4147 3210135 TimTec1_001260 N/C(=N/C#N)/c1sc2nc3CCCCCc3cc2c1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J07 compound treatment -0.134 -0.14563 -0.759 -0.157 -0.17727 -0.9851 0.364 0.34162 1.9319 0.1084 0.0472 3082608 TimTec1_001261 CN(C)CCNc1cn[nH]c(=O)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J08 compound treatment -0.104 -0.11563 -0.6027 -0.096 -0.11627 -0.6461 -0.044 -0.06638 -0.3754 -0.9377 -0.9768 3210136 TimTec1_001262 CS(=O)(=O)NCCOc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J09 compound treatment -0.033 -0.044626 -0.2326 -0.047 -0.06727 -0.3738 0.34 0.31762 1.7962 0.6869 0.3714 1582682 TimTec1_001263 OC(=O)c1ccccc1NC(=O)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J10 compound treatment -0.204 -0.21563 -1.1239 0.09 0.06973 0.3875 0.116 0.09362 0.5294 -0.1195 -0.0918 1203455 TimTec1_001264 Nc1ccc(cc1)C(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J11 compound treatment -0.036 -0.047626 -0.2482 -0.037 -0.05727 -0.3183 -0.115 -0.13738 -0.7769 -0.7756 -0.8859 1327302 TimTec1_001265 Cc1ccccc1NC(=O)c2ccccc2NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J12 compound treatment -0.024 -0.035626 -0.1857 0.14 0.11973 0.6654 0.0 -0.02238 -0.1266 0.2039 0.2903 1350742 TimTec1_001266 OC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J13 compound treatment 0.064 0.052374 0.273 0.185 0.16473 0.9154 0.033 0.01062 0.0601 0.7208 0.7531 1127240 TimTec1_001267 CNC(=O)c1c(N)sc2CCCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J14 compound treatment 0.062 0.050374 0.2626 0.218 0.19773 1.0988 -0.121 -0.14338 -0.8108 0.3179 0.2286 3210137 TimTec1_001268 CC(C)(C)c1ccc(cc1)C(=O)CC(N2CCCCC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J15 compound treatment 0.042 0.030374 0.1583 0.007 -0.01327 -0.0737 0.021 -0.0013798 -0.0078 0.0443 0.2535 1913738 TimTec1_001269 Oc1ccc(/C=N/c2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J16 compound treatment -0.024 -0.035626 -0.1857 0.064 0.04373 0.243 -0.085 -0.10738 -0.6073 -0.3175 -0.467 1404011 TimTec1_001270 O=C(Cc1ccccc1)Oc2ccc(cc2)C3SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J17 compound treatment -0.005 -0.016626 -0.0867 0.151 0.13073 0.7265 -0.305 -0.32738 -1.8514 -0.6995 -0.3514 1230646 TimTec1_001271 C1CCC(CC1)c2ccc3c(c2)c4CCCc5nccn3c45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J18 compound treatment 0.006 -0.0056255 -0.0293 0.149 0.12873 0.7154 0.056 0.03362 0.1901 0.5059 0.6829 3210138 TimTec1_001272 Clc1ccc(CSC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J19 compound treatment -0.018 -0.029626 -0.1544 0.335 0.31473 1.749 -0.057 -0.07938 -0.4489 0.6615 0.365 1613380 TimTec1_001273 CN1C(=O)COc2ccc(cc12)C(=O)c3ccccc3C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J20 compound treatment -0.068 -0.079626 -0.415 -0.243 -0.26327 -1.463 -0.179 -0.20138 -1.1388 -1.7418 -0.9168 1384728 TimTec1_001274 COc1ccc(NCC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J21 compound treatment 0.138 0.12637 0.6587 -0.065 -0.08527 -0.4739 0.163 0.14062 0.7952 0.5658 0.498 3210139 TimTec1_001275 COc1ccc(CCNC(=N)Nc2nc(C)cc(C)n2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J22 compound treatment -0.053 -0.064626 -0.3368 -0.108 -0.12827 -0.7128 -0.086 -0.10838 -0.6129 -0.9599 -0.9612 3082616 TimTec1_001276 SC1=Nc2ccccc2CN1C(=O)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J23 mock treatment -0.061 -0.072626 -0.3785 0.047 0.02673 0.1485 0.032 0.0096202 0.0544 -0.1014 -0.2471 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 J24 mock treatment 0.037 0.025374 0.1323 0.083 0.06273 0.3486 0.045 0.02262 0.1279 0.3515 0.8917 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K01 compound treatment 0.039 0.027374 0.1427 0.041 0.02073 0.1152 0.126 0.10362 0.586 0.4872 0.7935 3210140 TimTec1_001277 N=c1sc(C(=O)c2ccccc2)c3scc(c4ccccc4)n13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K02 compound treatment 0.0 -0.011626 -0.0606 0.137 0.11673 0.6487 0.141 0.11862 0.6708 0.7268 0.7773 1261528 TimTec1_001278 COc1cc(OC)cc(c1)C2C(=C(N)OC(=C2C#N)N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K03 compound treatment -0.205 -0.21663 -1.1291 0.05 0.02973 0.1652 0.086 0.06362 0.3598 -0.3488 -0.2915 1566998 TimTec1_001279 COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K04 compound treatment -0.26 -0.27163 -1.4158 -0.121 -0.14127 -0.7851 0.396 0.37362 2.1129 -0.0508 -0.0191 1394262 TimTec1_001280 COC(=O)[C@H]1[C@H](c2ccccc2)[C@@](C#N)([C@@H]3C=CC(=C(C)N13)C(=O)OC)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K05 compound treatment 0.13 0.11837 0.617 -0.042 -0.06227 -0.346 -0.056 -0.07838 -0.4433 -0.0995 -0.1192 1004876 TimTec1_001281 OC(=O)c1cc(=O)cc(o1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K06 compound treatment 0.018 0.0063745 0.0332 0.018 -0.00227 -0.0126 -0.114 -0.13638 -0.7713 -0.4334 -0.5613 3082619 TimTec1_001282 Cc1nc(/C=C(/N)\C#N)cn1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K07 compound treatment 0.086 0.074374 0.3877 -0.018 -0.03827 -0.2127 0.073 0.05062 0.2863 0.2663 0.5056 1429878 TimTec1_001283 COc1ccc2CCC(CC3(O)C(=O)Nc4ccccc43)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K08 compound treatment -0.006 -0.017626 -0.0919 0.093 0.07273 0.4042 0.019 -0.0033798 -0.0191 0.1693 0.408 1203304 TimTec1_001284 Cc1sc2nc(cc(N)c2c1C)C(=O)Oc3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K09 compound treatment -0.244 -0.25563 -1.3324 -0.158 -0.17827 -0.9907 -0.115 -0.13738 -0.7769 -1.7898 -0.9764 3210142 TimTec1_001285 NC(=S)/C(=C\Nc1ccccc1C#N)/C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K10 compound treatment 0.04 0.028374 0.1479 0.12 0.09973 0.5542 0.141 0.11862 0.6708 0.7927 0.8981 1195774 TimTec1_001286 CC(C)c1ccc(cc1)C2C(=C(Oc3[nH]c(C)nc23)C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K11 compound treatment 0.15 0.13837 0.7212 -0.048 -0.06827 -0.3794 -0.119 -0.14138 -0.7995 -0.2642 -0.2315 1673016 TimTec1_001287 COc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccc(OC(C)C)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K12 compound treatment -0.042 -0.053626 -0.2795 0.4 0.37973 2.1102 0.019 -0.0033798 -0.0191 1.0459 0.4913 1572307 TimTec1_001288 CCCN1CC=C2C(C#N)(C#N)C(=C(C#N)C(c3ccc(OCC(=O)N)cc3)C2(C)C1)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K13 compound treatment 1.636 1.6244 6.5025 0.121 0.10073 0.5598 -0.123 -0.14538 -0.8221 3.6028 0.5477 1290293 TimTec1_001289 Cc1nc2c(OC(=C(C#N)C32CCC(CC3)c4ccccc4)N)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K14 compound treatment 0.013 0.0013745 0.0072 0.088 0.06773 0.3764 0.129 0.10662 0.603 0.5696 0.8013 1495492 TimTec1_001290 CC(C)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K15 compound treatment 0.233 0.22137 1.1539 0.102 0.08173 0.4542 0.028 0.0056202 0.0318 0.9468 0.7632 1213258 TimTec1_001291 CCOC(=O)C(C#N)C(c1[nH]c(C)nc1O)c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K16 compound treatment 0.145 0.13337 0.6952 0.024 0.00373 0.0207 -0.007 -0.02938 -0.1661 0.3174 0.4439 1320005 TimTec1_001292 CCCc1cc(ccc1OC(C)C)C2C(=C(N)Nc3oc(OC)nc23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K17 compound treatment 0.057 0.045374 0.2365 -0.122 -0.14227 -0.7906 0.09 0.06762 0.3824 -0.0991 -0.109 1432035 TimTec1_001293 CC1(C)CC(=O)C2=C(C1)N(Cc3ccccc3)C(=C(C#N)C42CCOCC4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K18 compound treatment 0.048 0.036374 0.1896 -0.088 -0.10827 -0.6017 0.006 -0.01638 -0.0926 -0.2914 -0.457 1488829 TimTec1_001294 Clc1cccc(c1)C(=O)N(Cc2ccccc2)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K19 compound treatment 0.123 0.11137 0.5805 -0.151 -0.17127 -0.9518 0.058 0.03562 0.2014 -0.098 -0.0865 3210143 TimTec1_001295 Fc1ccc(cc1)C(=O)[C@@H]2[C@@H](C#N)[C@@](C#N)([C@@H]3N2C=Cc4ccccc34)C(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K20 compound treatment 0.029 0.017374 0.0906 0.056 0.03573 0.1986 0.134 0.11162 0.6312 0.5314 0.7956 1628961 TimTec1_001296 CC1(C)C(C(=O)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K21 compound treatment -0.038 -0.049626 -0.2587 0.046 0.02573 0.143 -0.04 -0.06238 -0.3528 -0.2705 -0.5877 1142263 TimTec1_001297 COC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(OC(C)C)c(OC)c2)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K22 compound treatment 0.019 0.0073745 0.0384 0.065 0.04473 0.2486 0.016 -0.0063798 -0.0361 0.1449 0.5701 1427516 TimTec1_001298 O=C(N1CN(Cc2c3CCCCc3sc12)C4CCCCC4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K23 mock treatment -0.048 -0.059626 -0.3108 -0.095 -0.11527 -0.6406 0.03 0.0076202 0.0431 -0.5244 -0.7352 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 K24 mock treatment 0.08 0.068374 0.3564 0.104 0.08373 0.4653 0.091 0.06862 0.3881 0.6984 0.9936 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L01 compound treatment 0.128 0.11637 0.6066 0.699 0.67873 3.7718 -0.007 -0.02938 -0.1661 2.4319 0.636 1725268 TimTec1_001299 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3ccn(n3)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L02 compound treatment -0.032 -0.043626 -0.2274 0.012 -0.00827 -0.046 0.11 0.08762 0.4955 0.1283 0.2344 3082669 TimTec1_001300 N=C1S/C(=C/c2ccco2)/C(=O)N1c3nccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L03 compound treatment -0.056 -0.067626 -0.3525 0.548 0.52773 2.9327 -0.091 -0.11338 -0.6412 1.1195 0.3704 1704974 TimTec1_001301 COC1C(OC)N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L04 compound treatment -0.05 -0.061626 -0.3212 -0.075 -0.09527 -0.5294 -0.006 -0.02838 -0.1605 -0.5838 -0.9126 1126229 TimTec1_001302 CC(C)(C)c1cc(O)cc(c1CN2CCN(CCN)CC2)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L05 compound treatment 0.012 3.7448E-4 0.002 0.055 0.03473 0.193 0.185 0.16262 0.9196 0.6435 0.6848 3210144 TimTec1_001303 O=C1CN2C(=C1c3nc4ccccc4c(=O)[nH]3)NC(=O)c5ccccc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L06 compound treatment -0.04 -0.051626 -0.2691 -0.072 -0.09227 -0.5128 -0.217 -0.23938 -1.3537 -1.233 -0.8374 1508923 TimTec1_001304 CN1CCC2(CC1)C(=C(N)Oc3n[nH]c(C(=O)OC(C)(C)C)c32)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L07 compound treatment 0.126 0.11437 0.5961 -0.019 -0.03927 -0.2182 0.02 -0.0023798 -0.0135 0.2104 0.3314 1206601 TimTec1_001305 O=c1[nH]nc(c2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L08 compound treatment 0.152 0.14037 0.7317 0.151 0.13073 0.7265 -0.018 -0.04038 -0.2284 0.71 0.6723 3210145 TimTec1_001306 COC(=O)c1ccc2ccccc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L09 compound treatment 0.044 0.032374 0.1687 -0.048 -0.06827 -0.3794 -0.021 -0.04338 -0.2453 -0.2633 -0.5459 1306892 TimTec1_001307 OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L10 compound treatment 0.17 0.15837 0.8255 0.435 0.41473 2.3047 0.462 0.43962 2.4861 3.2426 0.9293 1170047 TimTec1_001308 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L11 compound treatment -0.111 -0.12263 -0.6392 -0.091 -0.11127 -0.6183 -0.039 -0.06138 -0.3471 -0.9264 -0.9704 1153508 TimTec1_001309 CCc1nc2ccccc2c(=O)n1c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L12 compound treatment -0.205 -0.21663 -1.1291 0.025 0.00473 0.0263 0.163 0.14062 0.7952 -0.1776 -0.1286 1500311 TimTec1_001310 OC(=O)c1cc(O)nc2c(Cl)cccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L13 compound treatment -0.028 -0.039626 -0.2065 0.127 0.10673 0.5931 0.0 -0.02238 -0.1266 0.1501 0.2343 1714700 TimTec1_001311 CCOc1ccc(NC(=O)C(=C2CCCCCC2)C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L14 compound treatment 0.273 0.26137 1.3623 0.162 0.14173 0.7876 0.127 0.10462 0.5916 1.5829 0.9415 3210146 TimTec1_001312 CN1CCN(CC1)C(CC(=O)c2ccc(C)cc2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L15 compound treatment -0.012 -0.023626 -0.1231 -0.204 -0.22427 -1.2463 -0.032 -0.05438 -0.3075 -0.9682 -0.7508 3082677 TimTec1_001313 C/C(=C/c1ccccc1)/C=N/c2c(C)n(C)n(c3ccccc3)c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L16 compound treatment -0.189 -0.20063 -1.0457 -0.139 -0.15927 -0.8851 -0.22 -0.24238 -1.3707 -1.9061 -0.9836 3210147 TimTec1_001314 Clc1ccccc1C(=O)Oc2ccc(cc2)C3SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L17 compound treatment 0.012 3.7448E-4 0.002 0.0 -0.02027 -0.1126 0.128 0.10562 0.5973 0.2809 0.4622 3082679 TimTec1_001315 Clc1nsnc1N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L18 compound treatment 0.078 0.066374 0.346 -0.058 -0.07827 -0.435 0.086 0.06362 0.3598 0.1563 0.2361 1080207 TimTec1_001316 CCn1c(=O)c2ccccc2[nH]c1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L19 compound treatment 0.006 -0.0056255 -0.0293 0.013 -0.00727 -0.0404 -0.114 -0.13638 -0.7713 -0.4855 -0.6282 1587528 TimTec1_001317 Clc1nc2ccccc2n3c(nnc13)c4coc5ccccc5c4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L20 compound treatment -0.061 -0.072626 -0.3785 -0.037 -0.05727 -0.3183 -0.031 -0.05338 -0.3019 -0.5766 -0.9951 3082732 TimTec1_001318 OC(=O)C(CC(=O)c1ccc(Cl)cc1)Sc2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L21 compound treatment 0.108 0.096374 0.5023 -0.139 -0.15927 -0.8851 -0.114 -0.13638 -0.7713 -0.6663 -0.5218 3210266 TimTec1_001319 N#Cc1c(SC2CCCC2)nsc1SC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L22 compound treatment 0.182 0.17037 0.888 0.449 0.42873 2.3825 0.331 0.30862 1.7453 2.8959 0.939 3210267 TimTec1_001320 Cc1n(C)c(c[n+]1c2c3CCCCCn3n(c4ccccc4)c2=O)c5ccc(C)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L23 mock treatment 0.061 0.049374 0.2574 0.0 -0.02027 -0.1126 -0.058 -0.08038 -0.4546 -0.1789 -0.3348 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 L24 mock treatment 0.078 0.066374 0.346 -0.006 -0.02627 -0.146 0.133 0.11062 0.6256 0.4766 0.6533 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M01 compound treatment 0.13 0.11837 0.617 -0.264 -0.28427 -1.5797 0.146 0.12362 0.6991 -0.1522 -0.083 3082736 TimTec1_001321 Cc1ccc(cc1)S(=O)(=O)N2CCC(=C(O)c3ccccc23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M02 compound treatment 0.014 0.0023745 0.0124 0.111 0.09073 0.5042 0.025 0.0026202 0.0148 0.3068 0.608 3210268 TimTec1_001322 Cc1nc2C(C(=C(N)N(c2o1)c3ccccc3)C#N)c4c(C)n(nc4Cl)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M03 compound treatment 0.0 -0.011626 -0.0606 0.153 0.13273 0.7376 0.049 0.02662 0.1505 0.4778 0.6326 3082738 TimTec1_001323 Nc1cc(ccc1Oc2ccc(cc2)C3CCCCC3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M04 compound treatment 0.113 0.10137 0.5284 1.577 1.5567 6.789 -0.006 -0.02838 -0.1605 4.132 0.6066 1129265 TimTec1_001324 OC(=O)c1c(SCc2ccc(C#N)cc2)nc(c3cccs3)c4CCCCc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M05 compound treatment 0.186 0.17437 0.9089 0.148 0.12773 0.7098 0.023 6.2023E-4 0.0035 0.9366 0.8121 1016658 TimTec1_001325 C[N+](C)(C)CCOC(=O)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M06 compound treatment 0.047 0.035374 0.1844 0.073 0.05273 0.293 0.13 0.10762 0.6086 0.627 0.8955 1533994 TimTec1_001326 NC1=C(C#N)C(c2c(noc2N1)c3cccc(O)c3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M07 compound treatment -0.113 -0.12463 -0.6496 -0.065 -0.08527 -0.4739 -0.123 -0.14538 -0.8221 -1.1233 -0.9768 1273967 TimTec1_001327 CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M08 compound treatment -0.034 -0.045626 -0.2378 -0.054 -0.07427 -0.4127 0.113 0.09062 0.5125 -0.0797 -0.1139 1285313 TimTec1_001328 CC(C)(C)C1CCC2(CC1)C(C#N)C2(C#N)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M09 compound treatment -0.111 -0.12263 -0.6392 -0.17 -0.19027 -1.0574 -0.196 -0.21838 -1.235 -1.6925 -0.9689 1588817 TimTec1_001329 CNc1sc(C(=O)CC=C)c(N)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M10 compound treatment 0.026 0.014374 0.0749 -0.065 -0.08527 -0.4739 -0.132 -0.15438 -0.873 -0.7344 -0.7372 1441689 TimTec1_001330 CCOC(=O)c1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M11 compound treatment 3.096 3.0844 8.1212 -0.027 -0.04727 -0.2627 -0.163 -0.18538 -1.0484 3.9318 0.4799 1280958 TimTec1_001331 CCOc1ccc(cc1OC)C2C=C(N)Oc3[nH]c(COC)nc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M12 compound treatment -0.037 -0.048626 -0.2534 -0.007 -0.02727 -0.1515 0.097 0.07462 0.422 0.0098 0.0191 1479215 TimTec1_001332 CCc1ccc(cc1)N2C(=C(C#N)C(c3c(C)noc23)c4cccc(Cl)c4)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M13 compound treatment 0.228 0.21637 1.1278 0.072 0.05173 0.2875 -0.007 -0.02938 -0.1661 0.7212 0.6134 3082744 TimTec1_001333 N#C/C=C/N(C#N)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M14 compound treatment -0.053 -0.064626 -0.3368 0.034 0.01373 0.0763 -0.111 -0.13338 -0.7543 -0.5859 -0.7063 1118063 TimTec1_001334 CCOC(=O)C1C(=C(OC(=C1C#N)N)c2ccc(Cl)cc2)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M15 compound treatment 0.031 0.019374 0.101 -0.03 -0.05027 -0.2794 0.054 0.03162 0.1788 3.0E-4 7.0E-4 3082746 TimTec1_001335 CCOC(=O)N1CCC2(CC1)C(=C(C)Nc3oc(C)nc32)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M16 compound treatment -0.034 -0.045626 -0.2378 0.236 0.21573 1.1988 -0.106 -0.12838 -0.726 0.1357 0.0955 3210269 TimTec1_001336 CCCc1nc2c(o1)N(C(=O)OCC)C(=C(C#N)C32CCNCC3)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M17 compound treatment -0.038 -0.049626 -0.2587 0.006 -0.01427 -0.0793 0.165 0.14262 0.8065 0.2705 0.318 1631479 TimTec1_001337 CC(C)N1C(=C(C#N)C2(CCNCC2)C(C#N)C1=O)S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M18 compound treatment -0.11 -0.12163 -0.6339 -0.113 -0.13327 -0.7406 -0.052 -0.07438 -0.4206 -1.0364 -0.9762 3210270 TimTec1_001338 CCN(CC)C(=O)c1cccc(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M19 compound treatment 0.023 0.011374 0.0593 -0.11 -0.13027 -0.7239 0.329 0.30662 1.734 0.6174 0.3284 1388678 TimTec1_001339 COc1cc(ccc1OCCN2CCOCC2)C3C(=C(C)Nc4oc(C)nc34)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M20 compound treatment -0.154 -0.16563 -0.8633 0.383 0.36273 2.0157 -0.065 -0.08738 -0.4941 0.3801 0.1691 3082750 TimTec1_001340 CCOC(=O)c1oc2ccc(/C=N\C(C)(C)C)c(Cl)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M21 compound treatment -0.034 -0.045626 -0.2378 -0.31 -0.33027 -1.8354 -0.258 -0.28038 -1.5856 -2.1124 -0.8668 3210271 TimTec1_001341 COC(=O)C1=C(OC(=C(C#N)C1c2ccccc2c3ccccc3)C)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M22 compound treatment -0.118 -0.12963 -0.6756 -0.122 -0.14227 -0.7906 -0.192 -0.21438 -1.2124 -1.5465 -0.9682 1636367 TimTec1_001342 CCCCN1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M23 mock treatment 0.014 0.0023745 0.0124 0.2 0.17973 0.9988 0.087 0.06462 0.3654 0.7948 0.7472 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 M24 mock treatment 0.286 0.27437 1.4301 0.021 7.2998E-4 0.0041 0.113 0.09062 0.5125 1.1239 0.7398 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N01 compound treatment 0.087 0.075374 0.3929 0.07 0.04973 0.2764 0.372 0.34962 1.9772 1.5279 0.7509 3210272 TimTec1_001343 CCc1cc2c(=O)c3c(cn4ccccc34)oc2cc1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N02 compound treatment 0.071 0.059374 0.3095 -0.007 -0.02727 -0.1515 0.13 0.10762 0.6086 0.4426 0.6328 3082752 TimTec1_001344 Nc1nonc1N2C(=N)S/C(=C/c3ccccc3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N03 compound treatment -0.125 -0.13663 -0.7121 -0.049 -0.06927 -0.3849 -0.086 -0.10838 -0.6129 -0.9873 -0.9723 1211420 TimTec1_001345 COc1ccc(cc1)C(=O)N2c3ccccc3CCc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N04 compound treatment 0.083 0.071374 0.372 -0.108 -0.12827 -0.7128 0.113 0.09062 0.5125 0.0991 0.104 1688649 TimTec1_001346 CC(=O)Nc1[nH]c2CCCCCc2c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N05 compound treatment 0.174 0.16237 0.8463 -0.155 -0.17527 -0.974 1.216 1.1936 6.1183 3.4587 0.5531 1368911 TimTec1_001347 Clc1c(NCc2ccco2)cnn(c3ccccc3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N06 compound treatment 0.109 0.097374 0.5075 0.069 0.04873 0.2708 0.182 0.15962 0.9027 0.9705 0.9067 1227629 TimTec1_001348 COc1ccc(NC2CS(=O)(=O)CC2OC(=O)c3ccc(F)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N07 compound treatment -0.079 -0.090626 -0.4724 0.006 -0.01427 -0.0793 0.067 0.04462 0.2523 -0.1728 -0.3192 1520272 TimTec1_001349 O=C(Cc1ccccc1)Nc2c(cnn2c3ccccc3)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N08 compound treatment 0.148 0.13637 0.7108 0.056 0.03573 0.1986 1.761 1.7386 7.2254 4.6966 0.6467 1561090 TimTec1_001350 Cc1cc2nc(SCC(=O)NN)[nH]c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N09 compound treatment -0.057 -0.068626 -0.3577 -0.043 -0.06327 -0.3516 0.044 0.02162 0.1223 -0.3389 -0.6565 1634252 TimTec1_001351 O=C(Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2)c4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N10 compound treatment -0.07 -0.081626 -0.4255 0.255 0.23473 1.3044 0.109 0.08662 0.4899 0.7903 0.5425 1534295 TimTec1_001352 COc1ccc(NC(=O)c2cccs2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N11 compound treatment -0.103 -0.11463 -0.5975 -0.041 -0.06127 -0.3405 0.039 0.01662 0.094 -0.4873 -0.702 3082818 TimTec1_001353 FC(F)(F)c1nc2ccccc2c(=O)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N12 compound treatment -0.059 -0.070626 -0.3681 -0.087 -0.10727 -0.5961 -0.037 -0.05938 -0.3358 -0.7506 -0.9661 3210273 TimTec1_001354 Cc1cc(OCc2ccc(Br)cc2)nc(n1)c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N13 compound treatment 0.459 0.44737 2.3318 0.296 0.27573 1.5323 -0.012 -0.03438 -0.1944 2.1187 0.7575 1039615 TimTec1_001355 O=c1n(c2ccccc2)c(nc3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N14 compound treatment -0.234 -0.24563 -1.2803 0.044 0.02373 0.1319 -0.163 -0.18538 -1.0484 -1.2683 -0.764 3210274 TimTec1_001356 FC(F)(F)c1cc(NC(=O)C(=S)NCc2ccco2)ccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N15 compound treatment -0.132 -0.14363 -0.7486 0.082 0.06173 0.343 0.195 0.17262 0.9762 0.3295 0.258 3210275 TimTec1_001357 CCOc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N16 compound treatment -0.11 -0.12163 -0.6339 0.256 0.23573 1.31 -0.045 -0.06738 -0.381 0.1703 0.1132 3082822 TimTec1_001358 Cc1sc(Cc2ccc(Cl)cc2)nc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N17 compound treatment -0.14 -0.15163 -0.7903 0.179 0.15873 0.8821 0.12 0.09762 0.5521 0.3717 0.2845 3082824 TimTec1_001359 N=C1SCC(=O)N1c2nccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N18 compound treatment 0.211 0.19937 1.0392 0.034 0.01373 0.0763 0.162 0.13962 0.7896 1.0999 0.8413 3210276 TimTec1_001360 CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc3ccccc3c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N19 compound treatment 0.019 0.0073745 0.0384 -0.045 -0.06527 -0.3627 0.027 0.0046202 0.0261 -0.1721 -0.4707 1136080 TimTec1_001361 OC(c1oc2ccccc2c1c3cnn(c3)c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N20 compound treatment -0.013 -0.024626 -0.1284 -0.147 -0.16727 -0.9295 -0.129 -0.15138 -0.8561 -1.105 -0.87 3210277 TimTec1_001362 FC(F)(F)c1cccc(c1)c2nc3ccccc3c(=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N21 compound treatment -0.111 -0.12263 -0.6392 -0.012 -0.03227 -0.1793 -0.125 -0.14738 -0.8335 -0.9537 -0.8951 3210278 TimTec1_001363 FC(F)(F)c1cc(NC(=O)C(=S)NCCNc2cccc3ccccc23)cc(c1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N22 compound treatment -0.119 -0.13063 -0.6809 -0.013 -0.03327 -0.1849 0.039 0.01662 0.094 -0.4456 -0.626 3082828 TimTec1_001364 COc1ccc(cc1)c2cs/c(=N\Cc3ccccc3)/[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N23 mock treatment 0.031 0.019374 0.101 -0.035 -0.05527 -0.3071 0.065 0.04262 0.241 0.0201 0.0499 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 N24 mock treatment 0.145 0.13337 0.6952 -0.053 -0.07327 -0.4072 0.135 0.11262 0.6369 0.534 0.52 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O01 compound treatment 1.907 1.8954 6.9124 -0.026 -0.04627 -0.2571 -0.039 -0.06138 -0.3471 3.642 0.5259 1081644 TimTec1_001365 COc1cc2CCN=C(CC#N)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O02 compound treatment -0.116 -0.12763 -0.6652 0.126 0.10573 0.5876 0.121 0.09862 0.5577 0.2772 0.2644 1714891 TimTec1_001366 COc1cc(OC)cc(c1)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@H]3N2C=Cc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O03 compound treatment 0.024 0.012374 0.0645 0.055 0.03473 0.193 -0.046 -0.06838 -0.3867 -0.0746 -0.1707 3082830 TimTec1_001367 CSc1nnc(c2ccccc2)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O04 compound treatment -0.05 -0.061626 -0.3212 0.05 0.02973 0.1652 0.199 0.17662 0.9988 0.4866 0.4581 3210280 TimTec1_001368 CC(C)(C)OC(=O)N1C(=C(C#N)C2(CCOCC2)c3nc([nH]c13)C(F)(F)F)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O05 compound treatment 0.064 0.052374 0.273 0.152 0.13173 0.732 -0.103 -0.12538 -0.709 0.1709 0.162 1332895 TimTec1_001369 Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O06 compound treatment -0.061 -0.072626 -0.3785 0.064 0.04373 0.243 0.085 0.06262 0.3541 0.1262 0.2205 1308936 TimTec1_001370 Fc1ccc(cc1)C(=O)CSC2=C(C#N)C(=O)C(C#N)C3(CCCC3)N2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O07 compound treatment -0.216 -0.22763 -1.1864 -0.112 -0.13227 -0.735 6.217 6.1946 10.3357 4.8579 0.4658 3210391 TimTec1_001371 O=C(NCCOc1ccccc1c2ccccc2)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O08 compound treatment 0.047 0.035374 0.1844 0.119 0.09873 0.5487 0.025 0.0026202 0.0148 0.4318 0.7457 1195667 TimTec1_001372 Cc1ccc(cc1)C(=O)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@]3(C)C=Cc4ccccc4N23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O09 compound treatment 0.068 0.056374 0.2938 0.057 0.03673 0.2041 0.092 0.06962 0.3937 0.5148 0.9677 1300208 TimTec1_001373 Nc1sc(Nc2ccccc2)c(C#N)c1C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O10 compound treatment 0.267 0.25537 1.3311 0.075 0.05473 0.3041 0.114 0.09162 0.5181 1.2432 0.8513 3210392 TimTec1_001374 COC(=O)c1ccc(cc1)[C@@H]2[C@H]3CC(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O11 compound treatment 0.123 0.11137 0.5805 0.017 -0.00327 -0.0182 -0.126 -0.14838 -0.8391 -0.1598 -0.1566 1596487 TimTec1_001375 CCCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3cccc(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O12 compound treatment -0.047 -0.058626 -0.3056 0.03 0.00973 0.0541 0.034 0.01162 0.0657 -0.1073 -0.3382 3082899 TimTec1_001376 COc1ccc(cc1)[C@H]2NC(=C(C#N)C(=O)[C@@H]2[n+]3ccccc3)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O13 compound treatment -0.035 -0.046626 -0.243 -0.091 -0.11127 -0.6183 -0.023 -0.04538 -0.2566 -0.6455 -0.9063 3210393 TimTec1_001377 NC1=C(C#N)C(c2nc(oc2N1c3ccccc3)c4ccccc4)c5cccc(O)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O14 compound treatment -0.094 -0.10563 -0.5505 0.101 0.08073 0.4486 -0.041 -0.06338 -0.3584 -0.2658 -0.3341 1397691 TimTec1_001378 CC1=C(C(C(=C(N)S1)C#N)c2ccoc2)C(=O)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O15 compound treatment -0.161 -0.17263 -0.8998 0.09 0.06973 0.3875 0.026 0.0036202 0.0205 -0.2839 -0.2898 1415097 TimTec1_001379 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(OC(C)C)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O16 compound treatment 0.081 0.069374 0.3616 -0.03 -0.05027 -0.2794 0.049 0.02662 0.1505 0.1344 0.2794 3210394 TimTec1_001380 Clc1cccc(c1)C(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O17 compound treatment -0.093 -0.10463 -0.5453 -0.046 -0.06627 -0.3683 -0.127 -0.14938 -0.8448 -1.0152 -0.9481 3082903 TimTec1_001381 Cc1nc2C(C(=C(N)Nc2o1)C#N)c3c[nH]nc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O18 compound treatment 0.006 -0.0056255 -0.0293 -0.029 -0.04927 -0.2738 0.109 0.08662 0.4899 0.1078 0.1918 1268817 TimTec1_001382 COc1ccccc1NC(=O)c2ccc(cc2)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O19 compound treatment 0.21 0.19837 1.034 -0.181 -0.20127 -1.1185 0.24 0.21762 1.2307 0.6617 0.3379 3210395 TimTec1_001383 COc1cccc(c1)[C@@H]2[C@H]3CC(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O20 compound treatment 0.06 0.048374 0.2521 -0.04 -0.06027 -0.3349 0.04 0.01762 0.0996 0.0097 0.0226 1627987 TimTec1_001384 CCOC(=O)c1c(NC(=O)C)sc2C(=O)NCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O21 compound treatment 0.171 0.15937 0.8307 0.031 0.01073 0.0596 0.136 0.11362 0.6425 0.885 0.8413 1713250 TimTec1_001385 CC(C)NC(=O)CSc1cc(c2cccnc2)c3CCCCc3c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O22 compound treatment -0.024 -0.035626 -0.1857 -0.02 -0.04027 -0.2238 -0.039 -0.06138 -0.3471 -0.4368 -0.9647 3210396 TimTec1_001386 CCOC(=O)c1c(N)sc2C(=O)C(CCc12)Sc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O23 mock treatment -0.012 -0.023626 -0.1231 0.006 -0.01427 -0.0793 -0.032 -0.05438 -0.3075 -0.2944 -0.8644 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 O24 mock treatment 0.165 0.15337 0.7994 0.035 0.01473 0.0819 0.085 0.06262 0.3541 0.7133 0.8122 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P01 compound treatment -0.013 -0.024626 -0.1284 -0.046 -0.06627 -0.3683 0.055 0.03262 0.1845 -0.1802 -0.4177 3082907 TimTec1_001387 COc1ccc2c(=S)c(c3cc4ccccc4o3)c(C)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P02 compound treatment 0.088 0.076374 0.3981 0.037 0.01673 0.093 0.06 0.03762 0.2127 0.4063 0.8817 1033890 TimTec1_001388 C(Cc1nc2ccccc2[nH]1)Cc3nc4ccccc4[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P03 compound treatment -0.138 -0.14963 -0.7799 -0.191 -0.21127 -1.1741 -0.076 -0.09838 -0.5564 -1.4493 -0.9565 3082909 TimTec1_001389 S=CC1=C2NCCCN2C3CCCCC31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P04 compound treatment 0.105 0.093374 0.4867 -0.044 -0.06427 -0.3572 0.064 0.04162 0.2354 0.2107 0.3251 1117255 TimTec1_001390 NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(=N)N)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P05 compound treatment 0.085 0.073374 0.3824 0.149 0.12873 0.7154 -0.012 -0.03438 -0.1944 0.5216 0.6253 1246425 TimTec1_001391 Cc1c(NC2CS(=O)(=O)CC2O)c(=O)n(c3ccccc3)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P06 compound treatment 0.063 0.051374 0.2678 -0.053 -0.07327 -0.4072 0.132 0.10962 0.6199 0.2774 0.3518 1671747 TimTec1_001392 O=c1c(C2=NCCCCC2)c3[nH]c(cn3n1c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P07 compound treatment 0.19 0.17837 0.9297 -0.012 -0.03227 -0.1793 0.285 0.26262 1.4852 1.2907 0.7328 1595982 TimTec1_001393 CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc3CC(C)CCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P08 compound treatment 2.013 2.0014 7.0545 0.129 0.10873 0.6042 2.769 2.7466 8.4914 9.3242 0.8434 1216494 TimTec1_001394 NNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P09 compound treatment -0.15 -0.16163 -0.8424 -0.033 -0.05327 -0.296 -0.069 -0.09138 -0.5168 -0.9556 -0.9263 1492209 TimTec1_001395 O=c1[nH]c(nc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P10 compound treatment 0.122 0.11037 0.5753 0.285 0.26473 1.4711 0.364 0.34162 1.9319 2.2969 0.9204 1735994 TimTec1_001396 CCn1c(N)c(sc1=S)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P11 compound treatment 0.0 -0.011626 -0.0606 0.119 0.09873 0.5487 -0.156 -0.17838 -1.0088 -0.3006 -0.2614 1341596 TimTec1_001397 CCc1nc2ccccc2c(=O)n1c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P12 compound treatment -0.178 -0.18963 -0.9884 -0.224 -0.24427 -1.3574 -0.089 -0.11138 -0.6299 -1.718 -0.958 1919107 TimTec1_001398 Cc1cc(NCCCN2CCOCC2)nc(n1)c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P13 compound treatment 0.15 0.13837 0.7212 0.143 0.12273 0.682 0.101 0.07862 0.4446 1.0669 0.9809 1420208 TimTec1_001399 CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc3CCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P14 compound treatment 0.161 0.14937 0.7786 0.174 0.15373 0.8543 -0.02 -0.04238 -0.2397 0.8044 0.6814 1140583 TimTec1_001400 COc1ccc(C)cc1NC(=O)C(=S)NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P15 compound treatment 0.0 -0.011626 -0.0606 -0.112 -0.13227 -0.735 0.019 -0.0033798 -0.0191 -0.4704 -0.6376 3210397 TimTec1_001401 NC(=N)NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P16 compound treatment -0.263 -0.27463 -1.4314 -0.117 -0.13727 -0.7628 -0.422 -0.44438 -2.513 -2.7178 -0.9086 1142293 TimTec1_001402 O=C(Oc1ccc(cc1)C2SCCS2)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P17 compound treatment -0.037 -0.048626 -0.2534 0.116 0.09573 0.532 0.196 0.17362 0.9819 0.7277 0.6355 1739320 TimTec1_001403 Clc1ccccc1C(=O)Nc2nonc2NC=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P18 compound treatment 0.085 0.073374 0.3824 -0.018 -0.03827 -0.2127 0.052 0.02962 0.1675 0.1947 0.4156 1453837 TimTec1_001404 O=C(Cc1ccccc1)c2ccccc2C(=O)NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P19 compound treatment -0.11 -0.12163 -0.6339 0.213 0.19273 1.071 0.071 0.04862 0.275 0.4111 0.3225 1670037 TimTec1_001405 CCc1cccc(CC)c1NC(=O)COc2ccccc2C(=O)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P20 compound treatment 0.595 0.58337 3.0407 3.02 2.9997 8.572 1.168 1.1456 5.9967 10.1668 0.9332 3210398 TimTec1_001406 CC(C)Cc1ccc(/C=C/C(=O)N2CCN(C\C=C\c3ccccc3)CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P21 compound treatment 0.051 0.039374 0.2052 -0.148 -0.16827 -0.9351 -0.006 -0.02838 -0.1605 -0.5141 -0.5296 3082991 TimTec1_001407 Cc1nc(SCc2noc(CSc3nc(C)c(C)c(C)c3C#N)n2)c(C#N)c(C)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P22 compound treatment 0.301 0.28937 1.5083 0.156 0.13573 0.7543 0.076 0.05362 0.3032 1.4814 0.8646 3210399 TimTec1_001408 Cc1ccc2NC(=O)/C(=N\N3C(=O)c4ccccc4C3=O)/c2c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P23 mock treatment -0.117 -0.12863 -0.6704 0.031 0.01073 0.0596 -0.078 -0.10038 -0.5677 -0.6804 -0.7727 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2066 P24 mock treatment -0.017 -0.028626 -0.1492 0.034 0.01373 0.0763 -0.046 -0.06838 -0.3867 -0.2654 -0.6296 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A01 compound treatment 0.0 -0.011626 -0.0606 -0.023 -0.04327 -0.2405 -0.097 -0.11938 -0.6751 -0.5636 -0.7836 1609023 TimTec1_001409 COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A02 compound treatment 0.155 0.14337 0.7473 -0.141 -0.16127 -0.8962 0.204 0.18162 1.0271 0.507 0.3262 3210400 TimTec1_001410 CCN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A03 compound treatment -0.14 -0.15163 -0.7903 -0.036 -0.05627 -0.3127 -0.049 -0.07138 -0.4037 -0.8699 -0.9245 3210401 TimTec1_001411 OCC1OC(C(O)C1O)N2C3CCNC(=O)C3N=C2N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A04 compound treatment -0.166 -0.17763 -0.9258 0.219 0.19873 1.1044 0.143 0.12062 0.6821 0.4969 0.3117 1501937 TimTec1_001412 O=C(Nc1cccc(c1)N2CCCC2=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A05 compound treatment 0.137 0.12537 0.6535 -0.155 -0.17527 -0.974 0.018 -0.0043798 -0.0248 -0.1994 -0.1699 1302244 TimTec1_001413 CS(=O)(=O)N(Cc1ccccc1)c2ccccc2C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A06 compound treatment 0.116 0.10437 0.544 -0.013 -0.03327 -0.1849 -0.209 -0.23138 -1.3085 -0.5481 -0.3835 3082998 TimTec1_001414 Nc1nc(SCc2ccccc2)n(n1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A07 compound treatment -0.079 -0.090626 -0.4724 0.071 0.05073 0.2819 -0.043 -0.06538 -0.3697 -0.3234 -0.488 1224047 TimTec1_001415 COc1ccccc1c2nn(CNc3ccccc3)c(=S)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A08 compound treatment 0.022 0.010374 0.0541 0.064 0.04373 0.243 0.007 -0.01538 -0.087 0.1213 0.46 3083000 TimTec1_001416 CCOC(=O)c1sc(SC)nc1N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A09 compound treatment -0.086 -0.097626 -0.5088 0.013 -0.00727 -0.0404 -0.084 -0.10638 -0.6016 -0.6644 -0.8422 1232083 TimTec1_001417 Brc1ccc2C(=O)N(C(c3ccccc3)c4ccccc4)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A10 compound treatment 0.098 0.086374 0.4502 -0.019 -0.03927 -0.2182 0.033 0.01062 0.0601 0.1686 0.3346 1258394 TimTec1_001418 CCN(CC)C(=O)c1c[nH]c2ccccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A11 compound treatment 1.27 1.2584 5.8097 1.423 1.4027 6.4877 0.706 0.68362 3.866 9.332 0.9794 1352649 TimTec1_001419 C(N1CCCN(Cc2ccccc2)C1c3ccncc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A12 compound treatment 0.0 -0.011626 -0.0606 -0.091 -0.11127 -0.6183 0.068 0.04562 0.258 -0.243 -0.3613 1285436 TimTec1_001420 Brc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A13 compound treatment 0.023 0.011374 0.0593 0.03 0.00973 0.0541 0.062 0.03962 0.2241 0.1948 0.8185 3210402 TimTec1_001421 COc1cc(cc(OC)c1OC)C/2=NOC(=O)\C2=C/c3ccc(Cl)cc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A14 compound treatment 0.093 0.081374 0.4241 0.127 0.10673 0.5931 0.056 0.03362 0.1901 0.6971 0.9251 3083004 TimTec1_001422 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccnc4)C(=O)CC(C)(C)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A15 compound treatment 0.023 0.011374 0.0593 -0.283 -0.30327 -1.6853 -0.057 -0.07938 -0.4489 -1.198 -0.6865 3210403 TimTec1_001423 CSc1sc(C)cc1C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A16 compound treatment -0.056 -0.067626 -0.3525 0.089 0.06873 0.3819 -0.025 -0.04738 -0.2679 -0.1377 -0.2355 1473282 TimTec1_001424 N=c1[nH]c(cs1)c2ccc3OCCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A17 compound treatment -0.02 -0.031626 -0.1648 -0.045 -0.06527 -0.3627 -0.427 -0.44938 -2.5413 -1.7718 -0.6888 1291516 TimTec1_001425 Nc1nonc1NC(=O)CSc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A18 compound treatment -0.104 -0.11563 -0.6027 -0.134 -0.15427 -0.8573 -0.163 -0.18538 -1.0484 -1.4482 -0.977 1069221 TimTec1_001426 CSc1nnnn1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A19 compound treatment -0.013 -0.024626 -0.1284 -0.178 -0.19827 -1.1018 0.164 0.14162 0.8009 -0.2478 -0.1812 1502089 TimTec1_001427 COc1ccc(cc1)C2C3CCC=C3C(=C(N)C2(C#N)C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A20 compound treatment 0.014 0.0023745 0.0124 0.094 0.07373 0.4097 -0.054 -0.07638 -0.4319 -0.0057 -0.0095 1057528 TimTec1_001428 CC(=O)Oc1cccc2ccc(O)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A21 compound treatment 0.086 0.074374 0.3877 -0.117 -0.13727 -0.7628 -0.155 -0.17738 -1.0031 -0.7958 -0.6035 3210521 TimTec1_001429 Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A22 compound treatment -0.058 -0.069626 -0.3629 0.237 0.21673 1.2044 0.066 0.04362 0.2467 0.6283 0.4901 1551108 TimTec1_001430 CCOC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A23 mock treatment 0.03 0.018374 0.0958 0.049 0.02873 0.1597 0.04 0.01762 0.0996 0.205 0.9708 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 A24 mock treatment -0.08 -0.091626 -0.4776 0.04 0.01973 0.1096 0.089 0.06662 0.3767 0.0051 0.0082 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B01 compound treatment 0.108 0.096374 0.5023 -0.076 -0.09627 -0.535 -0.023 -0.04538 -0.2566 -0.167 -0.2148 1318272 TimTec1_001431 COc1ccc2nc(sc2c1)C(=O)N3CCN(C)CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B02 compound treatment 0.072 0.060374 0.3147 -0.316 -0.33627 -1.8687 0.141 0.11862 0.6708 -0.5099 -0.2537 1256461 TimTec1_001432 OC(=O)c1ccc(Nc2nnc(c3ccccc3)c(n2)c4ccccc4)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B03 compound treatment 0.0 -0.011626 -0.0606 0.204 0.18373 1.021 0.0 -0.02238 -0.1266 0.4814 0.4671 3083011 TimTec1_001433 FC(F)(F)c1cccc(c1)c2ccc(/C=C(\C#N)/c3ccccc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B04 compound treatment -0.027 -0.038626 -0.2013 -0.065 -0.08527 -0.4739 -0.032 -0.05438 -0.3075 -0.5674 -0.9461 3210522 TimTec1_001434 C(C1COC(=N1)C2=N[C@@H](Cc3ccccc3)CO2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B05 compound treatment 0.061 0.049374 0.2574 0.176 0.15573 0.8654 0.183 0.16062 0.9083 1.1727 0.9156 3083012 TimTec1_001435 Cc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B06 compound treatment 0.285 0.27337 1.4249 -0.073 -0.09327 -0.5183 0.207 0.18462 1.0441 1.1262 0.6118 3210523 TimTec1_001436 C/C(=N\O)/c1ccc2OCCOCCOCCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B07 compound treatment 0.057 0.045374 0.2365 -0.006 -0.02627 -0.146 -0.105 -0.12738 -0.7204 -0.3636 -0.471 1208416 TimTec1_001437 O=C1N(CSc2nc3ccccc3s2)c4cccc5cccc1c45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B08 compound treatment -0.139 -0.15063 -0.7851 0.063 0.04273 0.2375 0.013 -0.0093798 -0.053 -0.3468 -0.4219 3210524 TimTec1_001438 C[C@@H]1[C@@H]2CCC3[C@@](C)(CC(=O)O)CCC[C@]3(C)C2Cc4occc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B09 compound treatment -0.136 -0.14763 -0.7695 -0.183 -0.20327 -1.1296 -0.061 -0.08338 -0.4715 -1.3687 -0.9466 1668666 TimTec1_001439 C(SCc1ccccc1)c2cn3ccccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B10 compound treatment -0.038 -0.049626 -0.2587 -0.052 -0.07227 -0.4016 0.0 -0.02238 -0.1266 -0.4543 -0.9193 3210525 TimTec1_001440 ONC(=O)c1cccc2/C(=N\O)/c3ccccc3-c21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B11 compound treatment -0.071 -0.082626 -0.4307 -0.034 -0.05427 -0.3016 -0.101 -0.12338 -0.6977 -0.8256 -0.945 3083091 TimTec1_001441 CCCOc1ccc(/C=C/C(=O)Nc2nnc[nH]2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B12 compound treatment 0.066 0.054374 0.2834 0.017 -0.00327 -0.0182 0.063 0.04062 0.2297 0.2858 0.7823 1621908 TimTec1_001442 NS(=O)(=O)c1nn2cc(nc2s1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B13 compound treatment -0.024 -0.035626 -0.1857 -0.018 -0.03827 -0.2127 -0.142 -0.16438 -0.9296 -0.7667 -0.7892 1239473 TimTec1_001443 Clc1c(NCc2ccccc2)cn[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B14 compound treatment -0.152 -0.16363 -0.8529 0.113 0.09273 0.5153 -0.007 -0.02938 -0.1661 -0.2908 -0.2879 3210526 TimTec1_001444 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)/C=C/c3ccccn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B15 compound treatment -0.119 -0.13063 -0.6809 0.014 -0.00627 -0.0348 -0.106 -0.12838 -0.726 -0.8324 -0.8358 3210527 TimTec1_001445 Brc1cc(c2coc3ccccc3c2=O)c4OCOCc4c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B16 compound treatment 0.047 0.035374 0.1844 -0.032 -0.05227 -0.2905 0.053 0.03062 0.1732 0.0387 0.1005 3083094 TimTec1_001446 COc1cc(SC#N)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B17 compound treatment -0.024 -0.035626 -0.1857 0.104 0.08373 0.4653 0.03 0.0076202 0.0431 0.1863 0.3705 1121522 TimTec1_001447 COc1ccc(CCCc2nc3ccccc3[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B18 compound treatment 0.172 0.16037 0.8359 0.135 0.11473 0.6376 0.285 0.26262 1.4852 1.7082 0.9388 3210528 TimTec1_001448 CNC(=S)Nc1ccc(OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B19 compound treatment -0.012 -0.023626 -0.1231 -0.163 -0.18327 -1.0185 -0.026 -0.04838 -0.2736 -0.8171 -0.7696 1022826 TimTec1_001449 O=C(Nc1ccccc1)Oc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B20 compound treatment 0.037 0.025374 0.1323 0.048 0.02773 0.1541 -0.038 -0.06038 -0.3415 -0.0318 -0.0801 3083097 TimTec1_001450 CC1CCCCN1C(=O)c2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B21 compound treatment -0.025 -0.036626 -0.1909 0.017 -0.00327 -0.0182 -0.13 -0.15238 -0.8617 -0.6182 -0.7003 3210529 TimTec1_001451 O=C(NCc1ccco1)c2ccccc2N(Cc3ccccc3)S(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B22 compound treatment 0.006 -0.0056255 -0.0293 0.166 0.14573 0.8098 0.212 0.18962 1.0723 1.0697 0.7959 1271782 TimTec1_001452 CC(=O)Oc1ccc2c(NC3(OC(=O)C)C(=O)c4ccccc4C23OC(=O)C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B23 mock treatment -0.182 -0.19363 -1.0092 0.17 0.14973 0.8321 -0.149 -0.17138 -0.9692 -0.6618 -0.4065 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 B24 mock treatment -0.137 -0.14863 -0.7747 0.024 0.00373 0.0207 0.27 0.24762 1.4003 0.3732 0.2332 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C01 compound treatment 0.13 0.11837 0.617 -0.041 -0.06127 -0.3405 -0.036 -0.05838 -0.3301 -0.031 -0.0398 1645231 TimTec1_001453 CCn1cnc2c(=O)[nH][nH]c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C02 compound treatment 0.166 0.15437 0.8046 -0.072 -0.09227 -0.5128 0.153 0.13062 0.7387 0.595 0.4931 2086755 TimTec1_001454 CCOC(=O)N1C/C(=C\c2ccccc2)/C(=O)\C(=C\c3ccccc3)\C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C03 compound treatment 0.016 0.0043745 0.0228 -0.016 -0.03627 -0.2016 -0.154 -0.17638 -0.9975 -0.6791 -0.6672 1308938 TimTec1_001455 CCc1cc2c(=O)c(coc2cc1OC(C)C(=O)O)c3csc(C)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C04 compound treatment -0.06 -0.071626 -0.3733 -0.03 -0.05027 -0.2794 0.146 0.12362 0.6991 0.0268 0.0319 1446072 TimTec1_001456 CC1CCCN(C1)C(=O)c2cc3ccccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C05 compound treatment 0.101 0.089374 0.4658 -0.112 -0.13227 -0.735 0.024 0.0016202 0.0092 -0.1501 -0.1725 1636408 TimTec1_001457 Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C06 compound treatment 0.048 0.036374 0.1896 0.127 0.10673 0.5931 -0.095 -0.11738 -0.6638 0.0686 0.0754 3083101 TimTec1_001458 Nc1n/c(=N\c2ccccc2)/ss1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C07 compound treatment 0.244 0.23237 1.2112 0.106 0.08573 0.4764 0.143 0.12062 0.6821 1.3682 0.9311 1676195 TimTec1_001459 CCSc1nc2ccccc2n1CC(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C08 compound treatment 0.06 0.048374 0.2521 0.057 0.03673 0.2041 0.031 0.0086202 0.0487 0.2916 0.8888 3083103 TimTec1_001460 CSc1nc(N)c(s1)C(=O)Nc2ccc(cc2)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C09 compound treatment -0.117 -0.12863 -0.6704 -0.164 -0.18427 -1.024 -0.019 -0.04138 -0.234 -1.1134 -0.8935 3210530 TimTec1_001461 Cc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C10 compound treatment 0.072 0.060374 0.3147 0.025 0.00473 0.0263 0.013 -0.0093798 -0.053 0.1662 0.5191 1342383 TimTec1_001462 O=C(N(Cc1ccccc1)Cc2ccccc2)c3c[nH]c4ccccc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C11 compound treatment 0.023 0.011374 0.0593 0.086 0.06573 0.3653 0.09 0.06762 0.3824 0.4659 0.8755 1668351 TimTec1_001463 OC(=O)C1CCCN1C(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C12 compound treatment -0.098 -0.10963 -0.5714 0.063 0.04273 0.2375 -0.036 -0.05838 -0.3301 -0.3834 -0.5467 1266673 TimTec1_001464 O=C(Nc1ncccn1)c2c[nH]c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C13 compound treatment -0.049 -0.060626 -0.316 -0.092 -0.11227 -0.6239 0.125 0.10262 0.5803 -0.2076 -0.2284 3083106 TimTec1_001465 Fc1ccccc1C/2=NOC(=O)\C2=C/Nc3ccc(Cl)cn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C14 compound treatment -0.105 -0.11663 -0.6079 0.234 0.21373 1.1877 0.171 0.14862 0.8405 0.82 0.52 1516165 TimTec1_001466 CCOC(=O)C1=C(C)OC(=C(C1c2cccnc2)C(=O)OCC)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C15 compound treatment -0.049 -0.060626 -0.316 -0.067 -0.08727 -0.485 -0.032 -0.05438 -0.3075 -0.64 -0.9764 3083108 TimTec1_001467 CSc1sc(C)cc1/C=N/O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C16 compound treatment 0.03 0.018374 0.0958 0.019 -0.00127 -0.0071 -0.112 -0.13438 -0.7599 -0.3875 -0.5059 3210531 TimTec1_001468 Clc1ccc(NC(=O)/N=c/2\[nH]c(cs2)c3ccccc3)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C17 compound treatment 0.058 0.046374 0.2417 0.0 -0.02027 -0.1126 0.037 0.01462 0.0827 0.1223 0.4379 3083183 TimTec1_001469 Nc1nonc1NC(=O)CSC(=N)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C18 compound treatment 0.018 0.0063745 0.0332 0.034 0.01373 0.0763 0.025 0.0026202 0.0148 0.0718 0.8493 1579055 TimTec1_001470 COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C19 compound treatment -0.119 -0.13063 -0.6809 0.036 0.01573 0.0874 0.122 0.09962 0.5634 -0.0174 -0.0195 1328959 TimTec1_001471 CCOc1ccc(OCC)c(c1)C2C(Cc3ccccc3)N4C(C=Cc5ccccc45)C2(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C20 compound treatment 0.083 0.071374 0.372 0.032 0.01173 0.0652 0.022 -3.7977E-4 -0.0021 0.2512 0.665 3083185 TimTec1_001472 COC(=O)Nc1nccs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C21 compound treatment -0.006 -0.017626 -0.0919 -0.145 -0.16527 -0.9184 -0.032 -0.05438 -0.3075 -0.7608 -0.782 1288354 TimTec1_001473 Cc1ccc(c(C)c1)c2c(C#N)c(N)n(C)c(=O)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C22 compound treatment 0.043 0.031374 0.1635 -0.093 -0.11327 -0.6295 -0.06 -0.08238 -0.4659 -0.538 -0.6725 1283442 TimTec1_001474 O=C(Nc1ccc2OCOc2c1)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C23 mock treatment -0.062 -0.073626 -0.3838 0.044 0.02373 0.1319 -0.042 -0.06438 -0.3641 -0.3556 -0.6523 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 C24 mock treatment 0.058 0.046374 0.2417 -0.052 -0.07227 -0.4016 -0.012 -0.03438 -0.1944 -0.2046 -0.4031 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D01 compound treatment -0.053 -0.064626 -0.3368 0.124 0.10373 0.5764 0.0 -0.02238 -0.1266 0.0653 0.096 3083186 TimTec1_001475 O=C1CC(Sc2ccc3ccccc3c2)C4COC1O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D02 compound treatment 0.014 0.0023745 0.0124 0.127 0.10673 0.5931 0.019 -0.0033798 -0.0191 0.3385 0.5704 1501922 TimTec1_001476 OC(=O)c1nn(Cc2ccccc2)nc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D03 compound treatment 0.058 0.046374 0.2417 -0.037 -0.05727 -0.3183 -0.14 -0.16238 -0.9183 -0.5744 -0.5735 3210532 TimTec1_001477 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D04 compound treatment 0.106 0.094374 0.4919 0.026 0.00573 0.0318 0.139 0.11662 0.6595 0.6832 0.8297 3083190 TimTec1_001478 O=C(N[C@@H]1COC(=O)C1)OCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D05 compound treatment 0.043 0.031374 0.1635 0.036 0.01573 0.0874 0.092 0.06962 0.3937 0.3722 0.8552 3210533 TimTec1_001479 O=C(C(=C1Nc2ccccc2N1)C#N)c3cc[n+](Cc4ccccc4)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D06 compound treatment -0.096 -0.10763 -0.561 -0.054 -0.07427 -0.4127 0.081 0.05862 0.3315 -0.3708 -0.4807 3083192 TimTec1_001480 OC(=O)c1ccc(/C=C/C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D07 compound treatment -0.019 -0.030626 -0.1596 0.16 0.13973 0.7765 0.193 0.17062 0.9649 0.9132 0.7313 1703831 TimTec1_001481 Brc1ccc(NC(=O)C2(CCN3CC2)c4ccccc4C3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D08 compound treatment 0.462 0.45037 2.3475 0.539 0.51873 2.8827 0.367 0.34462 1.9489 4.1448 0.9875 1474907 TimTec1_001482 OC1CC(c2ccccc2Cl)C3(C(C1)c4ccccc4Cl)C(=O)NC(=O)NC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D09 compound treatment 0.032 0.020374 0.1062 -0.025 -0.04527 -0.2516 -0.028 -0.05038 -0.2849 -0.2484 -0.6295 3210647 TimTec1_001483 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Sc4ccccc4)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D10 compound treatment 0.248 0.23637 1.232 0.484 0.46373 2.577 0.19 0.16762 0.9479 2.7464 0.9126 3083196 TimTec1_001484 Cc1ccc(cc1)S(=O)(=O)c2ccc(/C=C/c3ccco3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D11 compound treatment 0.249 0.23737 1.2373 0.093 0.07273 0.4042 0.038 0.01562 0.0883 0.9987 0.7655 1185515 TimTec1_001485 O=C(NCCc1nc2ccccc2[nH]1)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D12 compound treatment 0.058 0.046374 0.2417 0.141 0.12073 0.6709 -0.007 -0.02938 -0.1661 0.431 0.5886 3083198 TimTec1_001486 COc1ccc(/C=C/2\N=C(N(C2=O)c3nc4ccc(cc4s3)C(=O)O)c5ccccc5)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D13 compound treatment -0.1 -0.11163 -0.5818 0.039 0.01873 0.1041 0.3 0.27762 1.57 0.6306 0.3759 1329192 TimTec1_001487 Cc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D14 compound treatment 0.007 -0.0046255 -0.0241 0.019 -0.00127 -0.0071 0.075 0.05262 0.2976 0.1538 0.515 3210648 TimTec1_001488 CC(=O)Nc1ccc(cc1C(=O)O)S(=O)(=O)NN2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D15 compound treatment 0.017 0.0053745 0.028 0.042 0.02173 0.1208 0.285 0.26262 1.4852 0.9434 0.633 3083200 TimTec1_001489 Cc1nnc(C)n1/N=C/c2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D16 compound treatment -0.104 -0.11563 -0.6027 -0.093 -0.11327 -0.6295 -0.043 -0.06538 -0.3697 -0.9248 -0.977 1026134 TimTec1_001490 O=C(c1cc2ccccc2o1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D17 compound treatment -0.17 -0.18163 -0.9467 -0.14 -0.16027 -0.8906 -0.093 -0.11538 -0.6525 -1.4375 -0.9884 1337169 TimTec1_001491 CCCC(=O)c1ccc(cc1)C(C)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D18 compound treatment -0.035 -0.046626 -0.243 -0.024 -0.04427 -0.246 -0.019 -0.04138 -0.234 -0.4175 -0.9998 1082112 TimTec1_001492 COc1cccc(NC(=S)Nc2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D19 compound treatment -0.202 -0.21363 -1.1135 -0.031 -0.05127 -0.2849 -0.203 -0.22538 -1.2746 -1.5432 -0.8992 1198422 TimTec1_001493 NC(=O)CCNC(=O)C(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D20 compound treatment 0.184 0.17237 0.8985 0.362 0.34173 1.899 0.104 0.08162 0.4616 1.8816 0.8748 1112637 TimTec1_001494 CCC(C)NC(=O)c1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D21 compound treatment 0.0 -0.011626 -0.0606 -0.044 -0.06427 -0.3572 -0.076 -0.09838 -0.5564 -0.5624 -0.8471 3210649 TimTec1_001495 Fc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2Cc4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D22 compound treatment -0.122 -0.13363 -0.6965 0.273 0.25273 1.4045 0.401 0.37862 2.1412 1.645 0.6199 1228411 TimTec1_001496 OC1(C2C(=O)NC(=O)NC2=O)C(=O)c3ccccc3C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D23 mock treatment 0.112 0.10037 0.5232 0.054 0.03373 0.1874 0.168 0.14562 0.8235 0.8857 0.8915 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 D24 mock treatment 0.011 -6.2552E-4 -0.0033 0.012 -0.00827 -0.046 0.214 0.19162 1.0836 0.5972 0.5506 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E01 compound treatment 0.238 0.22637 1.1799 0.029 0.00873 0.0485 0.359 0.33662 1.9036 1.8083 0.8072 1636299 TimTec1_001497 COc1ccc2C=CC3C=CC(O)C4Oc1c2C43CCN(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E02 compound treatment 0.041 0.029374 0.1531 0.058 0.03773 0.2097 0.121 0.09862 0.5577 0.5314 0.8639 3083205 TimTec1_001498 CC(C)(C)C1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E03 compound treatment 0.042 0.030374 0.1583 -0.078 -0.09827 -0.5461 -0.166 -0.18838 -1.0653 -0.839 -0.6947 3210650 TimTec1_001499 Cn1c(=O)c(C2=NNC3=NNC(C23)c4ccccc4)c(O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E04 compound treatment -0.087 -0.098626 -0.5141 0.037 0.01673 0.093 -0.012 -0.03438 -0.1944 -0.3554 -0.6375 3083208 TimTec1_001500 O=C(N1CCCCC1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E05 compound treatment -0.431 -0.44263 -2.3071 -0.014 -0.03427 -0.1904 0.024 0.0016202 0.0092 -1.4366 -0.6206 1501857 TimTec1_001501 COc1ccc(NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccc(OC)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E06 compound treatment -0.168 -0.17963 -0.9363 0.019 -0.00127 -0.0071 0.07 0.04762 0.2693 -0.3891 -0.3994 1493097 TimTec1_001502 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cnnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E07 compound treatment 0.027 0.015374 0.0801 -0.187 -0.20727 -1.1518 0.572 0.54962 3.1082 1.1758 0.3546 3210651 TimTec1_001503 Oc1ccc(/C=N/c2ccc(cc2)N3CCOCC3)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E08 compound treatment -0.013 -0.024626 -0.1284 0.026 0.00573 0.0318 -0.071 -0.09338 -0.5281 -0.3606 -0.6624 1097150 TimTec1_001504 COc1ccc(NC(=O)c2sc(SC)nc2N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E09 compound treatment -0.157 -0.16863 -0.8789 -0.298 -0.31827 -1.7687 -0.098 -0.12038 -0.6808 -1.9216 -0.9199 3210652 TimTec1_001505 O=C/1Nc2ccccc2\C1=N/N3C(=O)C4C=CC=CC4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E10 compound treatment 0.052 0.040374 0.2104 -0.122 -0.14227 -0.7906 0.121 0.09862 0.5577 -0.013 -0.0131 1413901 TimTec1_001506 O=C(N(c1ccccc1)c2ccccc2)c3c[nH]c4ccccc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E11 compound treatment 0.089 0.077374 0.4033 0.152 0.13173 0.732 0.083 0.06062 0.3428 0.8534 0.9447 3210653 TimTec1_001507 CC(C)(C)C(=O)CSc1ncnc2[nH]cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E12 compound treatment 0.026 0.014374 0.0749 0.1 0.07973 0.4431 0.008 -0.01438 -0.0813 0.2521 0.5521 1279481 TimTec1_001508 CCOC(=O)CC(N)c1ccccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E13 compound treatment -0.05 -0.061626 -0.3212 0.73 0.70973 3.9441 -0.079 -0.10138 -0.5733 1.7607 0.4403 3210654 TimTec1_001509 CCc1sc2sncc2c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E14 compound treatment 0.007 -0.0046255 -0.0241 -0.022 -0.04227 -0.2349 0.129 0.10662 0.603 0.1986 0.3067 1490642 TimTec1_001510 Cc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E15 compound treatment -0.08 -0.091626 -0.4776 -0.217 -0.23727 -1.3185 -0.034 -0.05638 -0.3188 -1.2211 -0.8491 3082121 TimTec1_001511 CCSc1cc(CC)sc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E16 compound treatment -0.08 -0.091626 -0.4776 0.032 0.01173 0.0652 0.242 0.21962 1.242 0.479 0.3595 3082123 TimTec1_001512 CN(C(=O)CSC(=S)N1CCCC1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E17 compound treatment -0.121 -0.13263 -0.6913 -0.013 -0.03327 -0.1849 -0.036 -0.05838 -0.3301 -0.6965 -0.8838 3210655 TimTec1_001513 CCOC(=O)/C=C(/C)\Nc1nonc1NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E18 compound treatment 0.07 0.058374 0.3043 0.05 0.02973 0.1652 0.046 0.02362 0.1336 0.3482 0.9382 3082125 TimTec1_001514 Nc1nnc(o1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E19 compound treatment 0.158 0.14637 0.7629 0.176 0.15573 0.8654 0.242 0.21962 1.242 1.6572 0.9776 1386928 TimTec1_001515 Cc1ccc(C2C(Cc3ccccc3)N4C=Cc5ccccc5C4C2(C#N)C(=O)N)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E20 compound treatment -0.084 -0.095626 -0.4984 0.044 0.02373 0.1319 -0.148 -0.17038 -0.9635 -0.7679 -0.7027 3082127 TimTec1_001516 CCOC(=O)Cc1ccccc1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E21 compound treatment 2.777 2.7654 7.8639 2.753 2.7327 8.3356 2.173 2.1506 7.8299 13.8734 0.9996 3210656 TimTec1_001517 O=C/1/C(=C/C2CCCO2)/CC\C1=C/C3CCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E22 compound treatment 0.105 0.093374 0.4867 0.019 -0.00127 -0.0071 0.013 -0.0093798 -0.053 0.2463 0.503 1433367 TimTec1_001518 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(C)ccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E23 mock treatment 0.08 0.068374 0.3564 -0.073 -0.09327 -0.5183 -0.039 -0.06138 -0.3471 -0.2939 -0.4091 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 E24 mock treatment 0.129 0.11737 0.6118 -0.046 -0.06627 -0.3683 0.0 -0.02238 -0.1266 0.0675 0.0931 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F01 compound treatment -0.055 -0.066626 -0.3473 -0.136 -0.15627 -0.8684 0.088 0.06562 0.3711 -0.4876 -0.4846 1232600 TimTec1_001519 COCC(=O)OCC1CCCN2CCCCC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F02 compound treatment 0.042 0.030374 0.1583 0.046 0.02573 0.143 -0.007 -0.02938 -0.1661 0.078 0.2886 3082129 TimTec1_001520 CC(=O)OCc1cnn(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F03 compound treatment -0.082 -0.093626 -0.488 0.093 0.07273 0.4042 0.226 0.20362 1.1515 0.6164 0.469 3210657 TimTec1_001521 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)NC3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F04 compound treatment 0.067 0.055374 0.2886 -0.038 -0.05827 -0.3238 0.094 0.07162 0.405 0.2135 0.3598 1023719 TimTec1_001522 Clc1ncnc2n(cnc12)C3CCCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F05 compound treatment -0.157 -0.16863 -0.8789 0.06 0.03973 0.2208 0.143 0.12062 0.6821 0.0139 0.0122 3210658 TimTec1_001523 CCc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F06 compound treatment 0.166 0.15437 0.8046 0.219 0.19873 1.1044 0.039 0.01662 0.094 1.1564 0.8443 3082133 TimTec1_001524 Brc1ccc(/C=C/C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F07 compound treatment -0.012 -0.023626 -0.1231 -0.147 -0.16727 -0.9295 -0.126 -0.14838 -0.8391 -1.0922 -0.868 3082134 TimTec1_001525 Nc1nnc(CCN2C(=O)S/C(=C/c3ccccc3)/C2=O)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F08 compound treatment -0.019 -0.030626 -0.1596 -0.078 -0.09827 -0.5461 0.152 0.12962 0.733 0.0158 0.017 1022021 TimTec1_001526 CC1(C)OC2C(CO)OC(C2O1)n3cnc4c(O)ncnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F09 compound treatment -0.16 -0.17163 -0.8946 0.031 0.01073 0.0596 0.025 0.0026202 0.0148 -0.4735 -0.5281 3210659 TimTec1_001527 OC(=O)COc1ccccc1/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F10 compound treatment -0.007 -0.018626 -0.0971 0.02 -2.7002E-4 -0.0015 0.13 0.10762 0.6086 0.2945 0.4778 3210660 TimTec1_001528 CN(C)c1ccc(cc1)C2=NN(C(C2)NC(Cc3c[nH]c4ccccc34)C(=O)O)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F11 compound treatment 0.098 0.086374 0.4502 0.12 0.09973 0.5542 -0.052 -0.07438 -0.4206 0.3371 0.4067 1300950 TimTec1_001529 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F12 compound treatment 0.06 0.048374 0.2521 -0.055 -0.07527 -0.4183 0.007 -0.01538 -0.087 -0.1461 -0.2946 1127108 TimTec1_001530 CCC(Sc1nc2cccc(CC)c2c(=O)n1c3ccc(OC)cc3)C(=O)NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F13 compound treatment 0.065 0.053374 0.2782 -0.013 -0.03327 -0.1849 0.125 0.10262 0.5803 0.3889 0.5808 3082764 TimTec1_001531 Clc1nc(C#N)c(C#N)nc1C(=C2Nc3ccccc3N2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F14 compound treatment 0.021 0.0093745 0.0489 0.108 0.08773 0.4875 0.181 0.15862 0.897 0.8276 0.8097 3210661 TimTec1_001532 CC(C)C(C(=O)NN1C(=O)/C(=C/c2ccccn2)/N=C1c3ccccc3)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F15 compound treatment -0.099 -0.11063 -0.5766 0.074 0.05373 0.2986 0.232 0.20962 1.1854 0.5239 0.3876 3082765 TimTec1_001533 C/C=C(/C)\C(=O)OC1CC(O)(C(C)C)C2C(CC(=CCC12C)C)OC(=O)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F16 compound treatment 0.105 0.093374 0.4867 0.041 0.02073 0.1152 -0.021 -0.04338 -0.2453 0.2059 0.3696 1203282 TimTec1_001534 CC(O)CNC(=O)C1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F17 compound treatment 0.039 0.027374 0.1427 0.1 0.07973 0.4431 -0.045 -0.06738 -0.381 0.1182 0.1965 1114140 TimTec1_001535 COc1ccc(CCCC(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F18 compound treatment 0.01 -0.0016255 -0.0085 0.258 0.23773 1.3211 0.019 -0.0033798 -0.0191 0.7468 0.5652 1082103 TimTec1_001536 Fc1ccc(NC(=S)Nc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F19 compound treatment -0.013 -0.024626 -0.1284 -0.067 -0.08727 -0.485 0.055 0.03262 0.1845 -0.2476 -0.4632 1119735 TimTec1_001537 COc1ccc2[nH]cc(CCNC(=O)c3ccco3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F20 compound treatment 0.069 0.057374 0.299 0.019 -0.00127 -0.0071 -0.096 -0.11838 -0.6695 -0.2179 -0.2972 3210662 TimTec1_001538 CCOC(=O)C1=C(Nc2ccccc2)OCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F21 compound treatment -0.172 -0.18363 -0.9571 0.013 -0.00727 -0.0404 0.12 0.09762 0.5521 -0.2572 -0.2326 3082768 TimTec1_001539 CC(C)NCC(O)COc1ccc(/C=C/c2cc(C)no2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F22 compound treatment -0.027 -0.038626 -0.2013 0.049 0.02873 0.1597 -0.082 -0.10438 -0.5903 -0.3649 -0.5667 3210663 TimTec1_001540 O=C1C(/C(=N/c2ccccc2)/c3ccccc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F23 mock treatment 0.122 0.11037 0.5753 -0.012 -0.03227 -0.1793 0.06 0.03762 0.2127 0.3514 0.5499 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 F24 mock treatment -0.068 -0.079626 -0.415 0.091 0.07073 0.3931 -0.144 -0.16638 -0.9409 -0.5559 -0.505 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G01 compound treatment 0.252 0.24037 1.2529 0.255 0.23473 1.3044 -0.013 -0.03538 -0.2001 1.361 0.7479 3210787 TimTec1_001541 CC1=C(NC(=S)NC(=O)c2ccccc2)NCc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G02 compound treatment 0.098 0.086374 0.4502 0.273 0.25273 1.4045 -0.006 -0.02838 -0.1605 0.9781 0.6593 3082771 TimTec1_001542 N#C/C(=C\c1ccccc1/C=C(\C#N)/c2ccc3OCOc3c2)/c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G03 compound treatment -0.127 -0.13863 -0.7225 0.068 0.04773 0.2652 0.126 0.10362 0.586 0.0743 0.0768 3210788 TimTec1_001543 OC(=O)CC1N=Cc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G04 compound treatment -0.053 -0.064626 -0.3368 -0.006 -0.02627 -0.146 0.494 0.47162 2.6671 1.2611 0.4684 3210789 TimTec1_001544 C1Oc2ccc(/C=C/C=N/c3ccc(cc3)N4CCOCC4)cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G05 compound treatment -0.052 -0.063626 -0.3316 0.089 0.06873 0.3819 0.274 0.25162 1.423 0.8506 0.5632 1707466 TimTec1_001545 CN1CCN(CC(O)COc2ccccc2OCc3nc(C)no3)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G06 compound treatment 0.085 0.073374 0.3824 0.0 -0.02027 -0.1126 0.046 0.02362 0.1336 0.2329 0.5539 3210790 TimTec1_001546 CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G07 compound treatment -0.006 -0.017626 -0.0919 -0.086 -0.10627 -0.5906 0.149 0.12662 0.7161 0.0194 0.0208 1121781 TimTec1_001547 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3c(C)c(C)cc(C)c3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G08 compound treatment 0.148 0.13637 0.7108 0.161 0.14073 0.7821 0.348 0.32562 1.8414 1.9251 0.9067 1240166 TimTec1_001548 Nc1[nH]c(=S)sc1C(=O)Nc2nccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G09 compound treatment 0.024 0.012374 0.0645 0.035 0.01473 0.0819 0.032 0.0096202 0.0544 0.1159 0.986 3082775 TimTec1_001549 Brc1ccc(cc1)C2OCC(=S)N2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G10 compound treatment -0.056 -0.067626 -0.3525 0.142 0.12173 0.6765 0.121 0.09862 0.5577 0.5091 0.5387 1301555 TimTec1_001550 CC(C)N(CCC#N)C(=O)c1c[nH]c2ccccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G11 compound treatment 0.096 0.084374 0.4398 0.405 0.38473 2.138 0.024 0.0016202 0.0092 1.4936 0.6843 1162047 TimTec1_001551 OC(=O)c1ccccc1C(=O)Nc2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G12 compound treatment -0.143 -0.15463 -0.8059 0.118 0.09773 0.5431 -0.061 -0.08338 -0.4715 -0.424 -0.3925 1376806 TimTec1_001552 Cc1ccc(C)c(c1)C2C3CCCC=C3C(=C(N)C2(C#N)C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G13 compound treatment -0.031 -0.042626 -0.2222 0.058 0.03773 0.2097 0.0 -0.02238 -0.1266 -0.0803 -0.2428 1912519 TimTec1_001553 CN(C)Cc1cc(/C=N/C2CCCCC2)c(S)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G14 compound treatment 0.095 0.083374 0.4346 0.107 0.08673 0.482 0.078 0.05562 0.3145 0.7108 0.9856 1339047 TimTec1_001554 CCc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G15 compound treatment -0.051 -0.062626 -0.3264 -0.075 -0.09527 -0.5294 -0.083 -0.10538 -0.5959 -0.8382 -0.9731 3082839 TimTec1_001555 CCc1cc2cc(sc2s1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G16 compound treatment -0.104 -0.11563 -0.6027 -0.088 -0.10827 -0.6017 -0.097 -0.11938 -0.6751 -1.0851 -0.9985 3210791 TimTec1_001556 Nc1nonc1OCCNc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G17 compound treatment -0.057 -0.068626 -0.3577 -0.069 -0.08927 -0.4961 0.006 -0.01638 -0.0926 -0.5464 -0.8833 1225048 TimTec1_001557 CC(=O)Nc1nonc1NC2=CC(=O)CC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G18 compound treatment -0.128 -0.13963 -0.7278 -0.143 -0.16327 -0.9073 0.216 0.19362 1.095 -0.3118 -0.1952 1004952 TimTec1_001558 OC(c1nc2ccccc2[nH]1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G19 compound treatment 0.0 -0.011626 -0.0606 -0.039 -0.05927 -0.3294 0.111 0.08862 0.5012 0.0642 0.1065 1382010 TimTec1_001559 CCOc1ccc(OCC)c(CC2OC(=NC2=O)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G20 compound treatment 0.145 0.13337 0.6952 0.0 -0.02027 -0.1126 0.043 0.02062 0.1166 0.4037 0.5655 3082843 TimTec1_001560 COc1ccc(/C=C(/C#N)\c2ccc(Cl)cc2)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G21 compound treatment 0.041 0.029374 0.1531 0.041 0.02073 0.1152 0.064 0.04162 0.2354 0.2908 0.9582 1449158 TimTec1_001561 Brc1cccc(c1)C(CC(=O)c2ccccc2)C(C#N)C(=O)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G22 compound treatment 0.072 0.060374 0.3147 0.117 0.09673 0.5375 0.233 0.21062 1.1911 1.1797 0.8777 1173213 TimTec1_001562 Clc1ccc(Cl)c(OCC(=O)NCc2ccccc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G23 mock treatment 0.047 0.035374 0.1844 -0.051 -0.07127 -0.3961 -0.052 -0.07438 -0.4206 -0.3651 -0.602 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 G24 mock treatment 0.095 0.083374 0.4346 0.124 0.10373 0.5764 0.054 0.03162 0.1788 0.6869 0.9237 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H01 compound treatment 0.021 0.0093745 0.0489 0.199 0.17873 0.9932 0.203 0.18062 1.0214 1.1914 0.8357 3210792 TimTec1_001563 CN12CCCCC2C(COc3ccccc3Br)CCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H02 compound treatment 0.261 0.24937 1.2998 0.118 0.09773 0.5431 -0.15 -0.17238 -0.9748 0.5012 0.2926 3082846 TimTec1_001564 Cc1ccc(cc1)C2=NNC3(CCOC(C)(C)C3)S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H03 compound treatment -0.171 -0.18263 -0.9519 0.246 0.22573 1.2544 0.0 -0.02238 -0.1266 0.1016 0.0643 3210793 TimTec1_001565 Clc1ccccc1/C=N/C2CCS(=O)(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H04 compound treatment -0.044 -0.055626 -0.2899 0.11 0.08973 0.4986 -0.018 -0.04038 -0.2284 -0.0113 -0.0183 1272351 TimTec1_001566 CC(C)(C)c1ccc2OCCOCCOCCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H05 compound treatment -0.087 -0.098626 -0.5141 -0.019 -0.03927 -0.2182 -0.116 -0.13838 -0.7826 -0.8746 -0.9097 3210794 TimTec1_001567 c1nn(c2ccccc2)c3ncn4nnnc4c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H06 compound treatment -0.038 -0.049626 -0.2587 -0.05 -0.07027 -0.3905 0.032 0.0096202 0.0544 -0.3434 -0.7282 3082850 TimTec1_001568 COc1cccc(/C=C/C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H07 compound treatment -0.095 -0.10663 -0.5558 -0.144 -0.16427 -0.9129 -0.117 -0.13938 -0.7882 -1.303 -0.9812 3210795 TimTec1_001569 COc1ccc(cc1OC)C2=N/C(=C/c3c(C)nn(c3N4CCCCC4)c5ccccc5)/C(=O)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H08 compound treatment 0.288 0.27637 1.4405 0.013 -0.00727 -0.0404 0.313 0.29062 1.6435 1.7572 0.8039 3210796 TimTec1_001570 Cn1c(=O)c(C/2=NNC(=O)\C2=C/c3c[nH]c4ccccc34)c(O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H09 compound treatment -0.049 -0.060626 -0.316 0.093 0.07273 0.4042 -0.064 -0.08638 -0.4885 -0.2311 -0.3263 1574162 TimTec1_001571 CCc1cc(c2n[nH]c(C)c2c3nc4ccccc4n3C)c(O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H10 compound treatment 0.37 0.35837 1.8679 0.331 0.31073 1.7268 0.157 0.13462 0.7613 2.5149 0.9471 1654421 TimTec1_001572 CS(=O)(=O)N(Cc1ccc(cc1)C(=O)O)c2cccc(Cl)c2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H11 compound treatment 0.051 0.039374 0.2052 0.186 0.16573 0.921 0.121 0.09862 0.5577 0.9722 0.887 1562719 TimTec1_001573 O=C(CCN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H12 compound treatment -0.018 -0.029626 -0.1544 -0.121 -0.14127 -0.7851 0.062 0.03962 0.2241 -0.413 -0.4971 3210797 TimTec1_001574 Clc1ccc(cc1)N(C(=O)Nc2ccccc2Br)C3=NCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H13 compound treatment 0.035 0.023374 0.1218 0.207 0.18673 1.0377 0.156 0.13362 0.7556 1.1057 0.8575 1779116 TimTec1_001575 CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H14 compound treatment -0.022 -0.033626 -0.1753 -0.234 -0.25427 -1.413 -0.041 -0.06338 -0.3584 -1.1239 -0.7655 3210798 TimTec1_001576 CC(=O)OC1C(OC2C(OC(=O)C)C(=O)OC12)n3ccc(=O)[nH]c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H15 compound treatment 0.039 0.027374 0.1427 0.09 0.06973 0.3875 0.031 0.0086202 0.0487 0.3342 0.8039 3082856 TimTec1_001577 CC(C)C1C(O)C/C(=C/CC/C(=C/C1O)/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H16 compound treatment -0.062 -0.073626 -0.3838 0.066 0.04573 0.2541 -0.006 -0.02838 -0.1605 -0.1675 -0.3436 1079739 TimTec1_001578 CS(=O)(=O)c1ccc(Br)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H17 compound treatment -0.049 -0.060626 -0.316 0.029 0.00873 0.0485 0.024 0.0016202 0.0092 -0.1491 -0.4663 1036359 TimTec1_001579 Cc1ccc(CCCC(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H18 compound treatment 0.08 0.068374 0.3564 0.124 0.10373 0.5764 0.302 0.27962 1.5813 1.4515 0.8437 1014539 TimTec1_001580 S=C(Nc1ccccc1)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H19 compound treatment -0.136 -0.14763 -0.7695 -0.162 -0.18227 -1.0129 -0.202 -0.22438 -1.2689 -1.7617 -0.9805 1593359 TimTec1_001581 Cc1ccc(cc1)c2nc3sc4C(=O)CC(C)(C)Cc4n3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H20 compound treatment 0.293 0.28137 1.4666 0.311 0.29073 1.6156 0.443 0.42062 2.3787 3.1529 0.9768 1240459 TimTec1_001582 CCOC(=O)C1C(=O)CN(C1=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H21 compound treatment 0.094 0.082374 0.4294 -0.084 -0.10427 -0.5794 0.18 0.15762 0.8914 0.428 0.3733 3082920 TimTec1_001583 CC12CCCCC2N(CCC(=O)N)c3ccccc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H22 compound treatment 0.316 0.30437 1.5865 0.186 0.16573 0.921 0.127 0.10462 0.5916 1.7893 0.9283 1468638 TimTec1_001584 O=C1c2ccccc2C(=O)C1(Nc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H23 mock treatment -0.157 -0.16863 -0.8789 -0.048 -0.06827 -0.3794 -0.052 -0.07438 -0.4206 -0.9693 -0.927 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 H24 mock treatment -0.091 -0.10263 -0.5349 0.124 0.10373 0.5764 -0.043 -0.06538 -0.3697 -0.1895 -0.2181 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I01 compound treatment 0.143 0.13137 0.6848 0.014 -0.00627 -0.0348 0.222 0.19962 1.1289 1.027 0.7776 1500758 TimTec1_001585 CCC(=O)NC1CC2C(OC1=O)c3cccc(C)c3NC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I02 compound treatment 0.039 0.027374 0.1427 0.148 0.12773 0.7098 0.223 0.20062 1.1345 1.1472 0.8524 3082924 TimTec1_001586 CC1CCC/C(=C\c2ccc3OCOc3c2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I03 compound treatment -0.065 -0.076626 -0.3994 -0.013 -0.03327 -0.1849 -0.207 -0.22938 -1.2972 -1.0863 -0.793 3210799 TimTec1_001587 COC(=O)C1(C)NC2(CCCCC2)Cc3ccccc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I04 compound treatment 0.139 0.12737 0.6639 0.271 0.25073 1.3933 0.279 0.25662 1.4512 2.0256 0.9561 1512799 TimTec1_001588 CC(C)(C)C1CCc2c(C1)sc3NC(NC(=O)c23)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I05 compound treatment -0.152 -0.16363 -0.8529 -0.02 -0.04027 -0.2238 0.109 0.08662 0.4899 -0.3388 -0.3359 1550718 TimTec1_001589 Cc1noc(COc2ccccc2OCC(=O)N)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I06 compound treatment 0.0 -0.011626 -0.0606 -0.061 -0.08127 -0.4516 -0.122 -0.14438 -0.8165 -0.7671 -0.8204 3082927 TimTec1_001590 Cc1[nH]c(=O)n(c(=O)c1C)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I07 compound treatment -0.039 -0.050626 -0.2639 -0.116 -0.13627 -0.7573 0.151 0.12862 0.7274 -0.1696 -0.1567 1716137 TimTec1_001591 CS(=O)(=O)Nc1cc(NS(=O)(=O)C)cc(c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I08 compound treatment -0.043 -0.054626 -0.2847 -0.055 -0.07527 -0.4183 0.031 0.0086202 0.0487 -0.3777 -0.7431 1611777 TimTec1_001592 COc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I09 compound treatment 0.419 0.40737 2.1233 0.918 0.89773 4.9888 1.109 1.0866 5.8401 7.478 0.9384 3210800 TimTec1_001593 Cc1ccc(cc1)C(=O)/N=c\2/cccc[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I10 compound treatment 0.047 0.035374 0.1844 0.032 0.01173 0.0652 0.098 0.07562 0.4276 0.391 0.8315 1119826 TimTec1_001594 O=C(N1CCCCC1)c2c[nH]c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I11 compound treatment 0.099 0.087374 0.4554 0.25 0.22973 1.2766 0.159 0.13662 0.7726 1.4461 0.9269 1603574 TimTec1_001595 Cc1sc(N)c(C(=O)N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I12 compound treatment 0.392 0.38037 1.9826 0.036 0.01573 0.0874 0.075 0.05262 0.2976 1.3669 0.6812 1363974 TimTec1_001596 COC(=O)C1(C#N)C(C(N2C1C=Cc3ccccc23)C(=O)c4ccccc4)c5ccc(C)cc5C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I13 compound treatment -0.048 -0.059626 -0.3108 0.19 0.16973 0.9432 0.094 0.07162 0.405 0.599 0.5585 1916807 TimTec1_001597 CCS(=O)(=O)c1ccsc1S(=O)(=O)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I14 compound treatment 0.048 0.036374 0.1896 0.094 0.07373 0.4097 0.203 0.18062 1.0214 0.9357 0.8379 3082931 TimTec1_001598 NC1=C(C#N)C2=CCCCC2C(c3cccs3)C1(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I15 compound treatment 0.035 0.023374 0.1218 -0.065 -0.08527 -0.4739 0.031 0.0086202 0.0487 -0.1751 -0.3561 1914041 TimTec1_001599 CSc1sc(SC)c(CO)c1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I16 compound treatment 0.181 0.16937 0.8828 0.115 0.09473 0.5264 0.079 0.05662 0.3202 0.9985 0.9275 3082933 TimTec1_001600 CC(C)(Oc1ccccc1Cl)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I17 compound treatment 0.013 0.0013745 0.0072 -0.007 -0.02727 -0.1515 -0.052 -0.07438 -0.4206 -0.3262 -0.7295 1737803 TimTec1_001601 CC(=O)Nc1nonc1Nc2cc(C)nn2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I18 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 0.025 0.0026202 0.0148 -0.0915 -0.7103 3082935 TimTec1_001602 COc1ccccc1C(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I19 compound treatment -0.061 -0.072626 -0.3785 -0.08 -0.10027 -0.5572 -0.035 -0.05738 -0.3245 -0.7276 -0.9731 1115158 TimTec1_001603 Cc1cc(C)c(C)c(C(=O)O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I20 compound treatment 0.058 0.046374 0.2417 -0.112 -0.13227 -0.735 0.147 0.12462 0.7048 0.1221 0.1166 3210920 TimTec1_001604 CCNC(=S)Nc1ccc(OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I21 compound treatment -0.093 -0.10463 -0.5453 0.116 0.09573 0.532 -0.035 -0.05738 -0.3245 -0.1951 -0.2356 3082938 TimTec1_001605 Clc1ccc(/C(=C\c2ccc3OCOc3c2)/C#N)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I22 compound treatment -0.007 -0.018626 -0.0971 0.134 0.11373 0.632 0.24 0.21762 1.2307 1.0194 0.735 1045982 TimTec1_001606 NC(=O)NS(=O)(=O)c1ccc(N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I23 mock treatment 0.092 0.080374 0.4189 -0.006 -0.02627 -0.146 -0.063 -0.08538 -0.4828 -0.1212 -0.1848 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 I24 mock treatment -0.072 -0.083626 -0.4359 -0.014 -0.03427 -0.1904 -0.069 -0.09138 -0.5168 -0.66 -0.9396 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J01 compound treatment -0.098 -0.10963 -0.5714 -0.067 -0.08727 -0.485 0.077 0.05462 0.3089 -0.4316 -0.5324 1479505 TimTec1_001607 OCCOc1c(Cl)cc(Cl)c2cccnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J02 compound treatment -0.113 -0.12463 -0.6496 0.071 0.05073 0.2819 0.135 0.11262 0.6369 0.1554 0.1632 1009854 TimTec1_001608 COc1ccc(cc1)C(O)C(=O)c2ccc(OC)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J03 compound treatment -0.06 -0.071626 -0.3733 -0.036 -0.05627 -0.3127 0.203 0.18062 1.0214 0.1936 0.1711 3082941 TimTec1_001609 Cc1sc(/N=C/c2ccc(Br)s2)c(C(=O)N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J04 compound treatment -0.056 -0.067626 -0.3525 -0.015 -0.03527 -0.196 0.138 0.11562 0.6539 0.0608 0.0792 1144212 TimTec1_001610 OC(=O)c1ccc2OCCOCCOCCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J05 compound treatment -0.019 -0.030626 -0.1596 -0.039 -0.05927 -0.3294 0.072 0.04962 0.2806 -0.1203 -0.2609 3210921 TimTec1_001611 Cc1nnc(/N=C/2\S/C(=C/c3ccccc3F)/C(=O)N2CC=C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J06 compound treatment -0.1 -0.11163 -0.5818 0.057 0.03673 0.2041 -0.314 -0.33638 -1.9023 -1.3164 -0.6583 1115371 TimTec1_001612 COc1ccc(cc1)C(N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J07 compound treatment 0.236 0.22437 1.1695 0.134 0.11373 0.632 -0.103 -0.12538 -0.709 0.6307 0.4186 3083016 TimTec1_001613 Brc1ccc(cc1)N2C(=O)C3ON(C(/C=C/c4ccccc4)C3C2=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J08 compound treatment 0.065 0.053374 0.2782 -0.13 -0.15027 -0.8351 0.27 0.24762 1.4003 0.487 0.2944 1351925 TimTec1_001614 CCOC(=O)c1[nH]c(C(=O)O)c(C(=O)OCc2ccccc2)c1CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J09 compound treatment 0.071 0.059374 0.3095 0.019 -0.00127 -0.0071 0.07 0.04762 0.2693 0.3301 0.8045 3083019 TimTec1_001615 COc1cccc(/N=C/C2=C3N(CCC2)c4ccccc4C3(C)C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J10 compound treatment -0.142 -0.15363 -0.8007 0.056 0.03573 0.1986 0.264 0.24162 1.3664 0.4412 0.2764 1286584 TimTec1_001616 O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)C4CCCNC4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J11 compound treatment -0.713 -0.72463 -3.7769 -0.778 -0.79827 -4.4361 -0.623 -0.64538 -3.6497 -6.849 -0.9962 1208195 TimTec1_001617 NNC(=O)c1cc(n[nH]1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J12 compound treatment -0.064 -0.075626 -0.3942 0.0 -0.02027 -0.1126 0.013 -0.0093798 -0.053 -0.3232 -0.782 3083022 TimTec1_001618 CC(N)(Cc1ccc2OCOc2c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J13 compound treatment 0.184 0.17237 0.8985 0.04 0.01973 0.1096 0.071 0.04862 0.275 0.7408 0.7831 3210922 TimTec1_001619 CN(C)c1ccc(/C=C\2/C(=NN(C2=O)c3nnc(C)c(=O)[nH]3)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J14 compound treatment -0.063 -0.074626 -0.389 0.055 0.03473 0.193 0.021 -0.0013798 -0.0078 -0.1176 -0.2709 1414476 TimTec1_001620 Cc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J15 compound treatment 0.0 -0.011626 -0.0606 0.101 0.08073 0.4486 0.213 0.19062 1.078 0.8464 0.7239 1395626 TimTec1_001621 CC1C(=O)CCC2C(C)(COc3ccc4ccc(=O)oc4c3)CCCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J16 compound treatment -0.053 -0.064626 -0.3368 -0.038 -0.05827 -0.3238 -0.114 -0.13638 -0.7713 -0.8267 -0.9168 1361860 TimTec1_001622 CC1(C)COC(OC1)c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J17 compound treatment 0.088 0.076374 0.3981 -0.019 -0.03927 -0.2182 0.044 0.02162 0.1223 0.1744 0.371 3083025 TimTec1_001623 CC(=CC(=O)Nc1ccc(Cl)cc1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J18 compound treatment 0.011 -6.2552E-4 -0.0033 -0.188 -0.20827 -1.1574 -0.026 -0.04838 -0.2736 -0.8281 -0.6963 3210923 TimTec1_001624 COc1ccccc1C(=O)N(C(C)C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J19 compound treatment 0.021 0.0093745 0.0489 0.03 0.00973 0.0541 0.02 -0.0023798 -0.0135 0.0517 0.6971 1015339 TimTec1_001625 OC(c1ccccc1)C(O)(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J20 compound treatment 0.122 0.11037 0.5753 0.036 0.01573 0.0874 0.099 0.07662 0.4333 0.6328 0.8722 1921357 TimTec1_001626 Brc1ccccc1C2OCC3(CO2)COC(OC3)c4ccccc4Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J21 compound treatment 0.096 0.084374 0.4398 -0.038 -0.05827 -0.3238 0.012 -0.01038 -0.0587 0.0331 0.0602 3083029 TimTec1_001627 C[C@]1(CCC[C@]2(C)[C@H]3CC(O)[C@](C)(C=C)C=C3CC[C@@H]12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J22 compound treatment -0.014 -0.025626 -0.1336 -0.147 -0.16727 -0.9295 -0.116 -0.13838 -0.7826 -1.0656 -0.8717 1236876 TimTec1_001628 OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J23 mock treatment 0.038 0.026374 0.1375 -0.025 -0.04527 -0.2516 0.103 0.08062 0.4559 0.1973 0.3664 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 J24 mock treatment 0.09 0.078374 0.4085 -0.054 -0.07427 -0.4127 -0.039 -0.06138 -0.3471 -0.2028 -0.2998 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K01 compound treatment -0.026 -0.037626 -0.1961 -0.007 -0.02727 -0.1515 0.006 -0.01638 -0.0926 -0.2542 -0.9607 1634606 TimTec1_001629 CCn1c(=O)c2C(=Nc3cc(C)ccc3Oc2c4ccccc14)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K02 compound treatment -0.089 -0.10063 -0.5245 0.119 0.09873 0.5487 0.085 0.06262 0.3541 0.2184 0.2608 3083031 TimTec1_001630 COc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K03 compound treatment -0.012 -0.023626 -0.1231 -0.086 -0.10627 -0.5906 0.051 0.02862 0.1619 -0.3186 -0.5101 3210924 TimTec1_001631 COc1ccc(cc1)C2CC(=NC(=N)N2)c3cc(OC)cc(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K04 compound treatment 0.027 0.015374 0.0801 0.024 0.00373 0.0207 0.388 0.36562 2.0676 1.252 0.605 3210925 TimTec1_001632 OC(=O)c1cccc(c1)c2ccc(/C=N\n3cnnc3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K05 compound treatment -0.04 -0.051626 -0.2691 0.11 0.08973 0.4986 -0.085 -0.10738 -0.6073 -0.2181 -0.2626 1250333 TimTec1_001633 CCOC(=O)CSc1cc(Cl)c2cccc(C)c2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K06 compound treatment 0.078 0.066374 0.346 -0.094 -0.11427 -0.635 0.068 0.04562 0.258 -0.0179 -0.0234 1029874 TimTec1_001634 CCOC(=O)C1(O)c2ccccc2-c3ccccc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K07 compound treatment 0.166 0.15437 0.8046 -0.152 -0.17227 -0.9573 -0.072 -0.09438 -0.5337 -0.3963 -0.2915 1426581 TimTec1_001635 CC(C)c1cc(NC(=O)c2ccccc2)c(C)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K08 compound treatment 0.098 0.086374 0.4502 -0.054 -0.07427 -0.4127 0.195 0.17262 0.9762 0.5852 0.5082 1278979 TimTec1_001636 CN(C)c1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K09 compound treatment 0.041 0.029374 0.1531 0.122 0.10173 0.5653 0.281 0.25862 1.4625 1.2592 0.7993 3083036 TimTec1_001637 OC(=O)/C=C\C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K10 compound treatment 0.075 0.063374 0.3303 0.178 0.15773 0.8765 0.15 0.12762 0.7217 1.1135 0.9416 1138966 TimTec1_001638 O=C(NC1CCCCC1)c2c[nH]c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K11 compound treatment 0.0 -0.011626 -0.0606 0.131 0.11073 0.6153 -0.019 -0.04138 -0.234 0.1852 0.2801 3210926 TimTec1_001639 CN(C1CCCCC1)C(=O)CCCOc2ccc(Cl)cc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K12 compound treatment -0.052 -0.063626 -0.3316 -0.076 -0.09627 -0.535 0.024 0.0016202 0.0092 -0.4951 -0.7864 1449748 TimTec1_001640 Fc1ccc(cc1)C2C(C3C=Cc4ccccc4N3C2(C#N)C#N)C(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K13 compound treatment 0.176 0.16437 0.8568 0.034 0.01373 0.0763 -0.046 -0.06838 -0.3867 0.3154 0.3345 3083110 TimTec1_001641 CS(=O)(=O)c1ccc(s1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K14 compound treatment -0.006 -0.017626 -0.0919 -0.064 -0.08427 -0.4683 -0.04 -0.06238 -0.3528 -0.5271 -0.8882 1649383 TimTec1_001642 Cc1ccc(s1)C2C3CCCC=C3C(C#N)C(N)C2(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K15 compound treatment -0.017 -0.028626 -0.1492 0.067 0.04673 0.2597 0.054 0.03162 0.1788 0.167 0.4788 3083113 TimTec1_001643 CC1(C)C(c2nc(no2)c3ccc(Br)cc3)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K16 compound treatment -0.019 -0.030626 -0.1596 0.0 -0.02027 -0.1126 -0.055 -0.07738 -0.4376 -0.4098 -0.8552 1072463 TimTec1_001644 Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K17 compound treatment -0.06 -0.071626 -0.3733 -0.096 -0.11627 -0.6461 -0.024 -0.04638 -0.2623 -0.74 -0.9356 3083115 TimTec1_001645 COc1cc(/C=N/c2nonc2NC(=O)C)ccc1OC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K18 compound treatment 0.092 0.080374 0.4189 0.031 0.01073 0.0596 0.182 0.15962 0.9027 0.7975 0.7999 1266444 TimTec1_001646 OC(=O)c1ccc(COc2ccccc2)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K19 compound treatment 0.0 -0.011626 -0.0606 -0.018 -0.03827 -0.2127 0.268 0.24562 1.389 0.6442 0.458 1199220 TimTec1_001647 COc1ccc(cc1)C2C(C(=O)N)C2(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K20 compound treatment -0.09 -0.10163 -0.5297 0.012 -0.00827 -0.046 0.19 0.16762 0.9479 0.2149 0.1978 3083117 TimTec1_001648 CCNC(=S)Nc1c(C)cccc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K21 compound treatment 0.048 0.036374 0.1896 0.36 0.33973 1.8879 0.581 0.55862 3.1591 3.0234 0.8204 3210927 TimTec1_001649 O=C/1/C(=C/c2cccc3OCOc32)/CCC\C1=C/c4cccc5OCOc54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K22 compound treatment 0.04 0.028374 0.1479 0.231 0.21073 1.1711 0.408 0.38562 2.1808 2.0206 0.8148 1204849 TimTec1_001650 Oc1ccc2c(=O)c(coc2c1CN3CCCCC3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K23 mock treatment 0.151 0.13937 0.7265 0.054 0.03373 0.1874 0.219 0.19662 1.1119 1.1696 0.872 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 K24 mock treatment 0.115 0.10337 0.5388 0.12 0.09973 0.5542 0.136 0.11362 0.6425 1.002 0.9969 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L01 compound treatment 0.007 -0.0046255 -0.0241 0.056 0.03573 0.1986 0.193 0.17062 0.9649 0.6578 0.6675 1427041 TimTec1_001651 C(Cn1c2ccccc2c3ccccc13)c4nc5ccccc5[nH]4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L02 compound treatment 0.045 0.033374 0.174 0.052 0.03173 0.1763 0.109 0.08662 0.4899 0.4851 0.8837 1045556 TimTec1_001652 COc1ccc2[n+]([O-])cccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L03 compound treatment -0.024 -0.035626 -0.1857 -0.174 -0.19427 -1.0796 0.439 0.41662 2.3561 0.6298 0.2424 3210928 TimTec1_001653 O=C(N1CCN(CC1)C2=NC(=O)/C(=C/c3cccs3)/S2)c4cc5ccccc5oc4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L04 compound treatment 0.11 0.098374 0.5128 -0.091 -0.11127 -0.6183 0.063 0.04062 0.2297 0.0717 0.0858 3083122 TimTec1_001654 COc1ccc(/C=C/C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L05 compound treatment 0.109 0.097374 0.5075 0.286 0.26573 1.4767 0.192 0.16962 0.9592 1.6994 0.9273 1566626 TimTec1_001655 Fc1ccc(cc1)C(CC(=O)c2cccs2)SCc3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L06 compound treatment -0.063 -0.074626 -0.389 0.066 0.04573 0.2541 0.096 0.07362 0.4163 0.1625 0.2605 1449697 TimTec1_001656 CC1Cc2cc(OCC(=O)O)ccc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L07 compound treatment 0.103 0.091374 0.4763 -0.032 -0.05227 -0.2905 0.167 0.14462 0.8179 0.5795 0.5853 3083124 TimTec1_001657 NC1=Cc2ccccc2CN1c3ccccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L08 compound treatment 0.282 0.27037 1.4093 0.378 0.35773 1.988 0.288 0.26562 1.5021 2.8286 0.9881 3210929 TimTec1_001658 COc1ccc(cc1)N2CC(=O)N(/N=C/c3ccccc3C(=O)O)C2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L09 compound treatment -0.041 -0.052626 -0.2743 0.03 0.00973 0.0541 0.107 0.08462 0.4785 0.1491 0.2691 1667441 TimTec1_001659 NC(=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L10 compound treatment 0.054 0.042374 0.2209 0.269 0.24873 1.3822 0.069 0.04662 0.2636 1.0778 0.7567 1921446 TimTec1_001660 CC1=CC(=O)N(CCc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L11 compound treatment 0.194 0.18237 0.9506 0.541 0.52073 2.8938 0.903 0.88062 4.9801 5.0948 0.8727 1703270 TimTec1_001661 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1Cc3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L12 compound treatment -0.17 -0.18163 -0.9467 -0.22 -0.24027 -1.3352 -0.185 -0.20738 -1.1728 -1.9946 -0.9906 1414477 TimTec1_001662 CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L13 compound treatment 0.007 -0.0046255 -0.0241 0.051 0.03073 0.1708 -0.102 -0.12438 -0.7034 -0.3214 -0.4438 1436746 TimTec1_001663 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1CCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L14 compound treatment 0.03 0.018374 0.0958 0.082 0.06173 0.343 -0.045 -0.06738 -0.381 0.0334 0.0639 1148985 TimTec1_001664 CCCCC1(SCCS1)c2cc(O)cc(O)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L15 compound treatment 0.164 0.15237 0.7942 0.321 0.30073 1.6712 0.046 0.02362 0.1336 1.5005 0.8089 3083129 TimTec1_001665 Nc1cccc(c1)C2=NCCN2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L16 compound treatment 0.007 -0.0046255 -0.0241 0.138 0.11773 0.6542 -0.018 -0.04038 -0.2284 0.232 0.3346 3211052 TimTec1_001666 CNC(=S)Nc1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L17 compound treatment -0.054 -0.065626 -0.3421 0.017 -0.00327 -0.0182 -0.14 -0.16238 -0.9183 -0.7382 -0.7531 3083131 TimTec1_001667 Cc1nc2ccc(Cl)cc2n1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L18 compound treatment -0.151 -0.16263 -0.8476 0.0 -0.02027 -0.1126 0.647 0.62462 3.5323 1.485 0.4086 1188527 TimTec1_001668 CN1CCCc2cc(ccc12)c3ccnc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L19 compound treatment -0.144 -0.15563 -0.8112 0.048 0.02773 0.1541 0.062 0.03962 0.2241 -0.25 -0.2922 3211053 TimTec1_001669 CC(C)/C=c\1/[nH]c(=O)/c(=C/c2ccccc2)/[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L20 compound treatment 0.006 -0.0056255 -0.0293 0.135 0.11473 0.6376 -0.129 -0.15138 -0.8561 -0.1431 -0.134 3083134 TimTec1_001670 CCOC(=O)c1sc(NC(=O)C)c(C#N)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L21 compound treatment 0.017 0.0053745 0.028 -0.19 -0.21027 -1.1685 -0.081 -0.10338 -0.5846 -0.996 -0.7621 3211054 TimTec1_001671 CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N5CCCC[C@H]1[C@H]35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L22 compound treatment 0.265 0.25337 1.3206 0.368 0.34773 1.9324 0.245 0.22262 1.259 2.605 0.9802 1341798 TimTec1_001672 O=C(Nc1ccccc1)OCC2(C(=O)c3ccccc3C2=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L23 mock treatment 0.115 0.10337 0.5388 -0.066 -0.08627 -0.4794 0.163 0.14062 0.7952 0.4934 0.4596 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 L24 mock treatment -0.175 -0.18663 -0.9727 -0.089 -0.10927 -0.6072 -0.146 -0.16838 -0.9522 -1.462 -0.9808 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M01 compound treatment 0.197 0.18537 0.9662 0.108 0.08773 0.4875 0.072 0.04962 0.2806 1.0013 0.8956 3083213 TimTec1_001673 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M02 compound treatment 0.109 0.097374 0.5075 0.014 -0.00627 -0.0348 0.057 0.03462 0.1958 0.3859 0.708 3211055 TimTec1_001674 Clc1ccc(cc1)C(CC(=O)c2ccc(Br)cc2)C3CCCCC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M03 compound treatment -0.022 -0.033626 -0.1753 0.03 0.00973 0.0541 0.014 -0.0083798 -0.0474 -0.0973 -0.5138 3083215 TimTec1_001675 COc1ccc2CCC3[C@@](C)(CO)CCC[C@]3(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M04 compound treatment 0.057 0.045374 0.2365 -0.074 -0.09427 -0.5239 0.182 0.15962 0.9027 0.3552 0.332 3211056 TimTec1_001676 COc1cc(/C=N\n2nnnc2N)cc(Cl)c1OCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M05 compound treatment -0.065 -0.076626 -0.3994 0.04 0.01973 0.1096 0.006 -0.01638 -0.0926 -0.2208 -0.5202 1459549 TimTec1_001677 C=CCCN1C[C@@H]2CC(C1)c3cccc(=O)n3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M06 compound treatment -0.074 -0.085626 -0.4463 0.037 0.01673 0.093 0.101 0.07862 0.4446 0.0527 0.0828 1091851 TimTec1_001678 CC1=C(SCCO1)C(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M07 compound treatment -0.081 -0.092626 -0.4828 -0.082 -0.10227 -0.5683 0.146 0.12362 0.6991 -0.2032 -0.1988 3083218 TimTec1_001679 OCn1nc(oc1=S)c2ccc(Cl)cc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M08 compound treatment 0.156 0.14437 0.7525 0.291 0.27073 1.5045 0.218 0.19562 1.1063 1.9418 0.9645 3211058 TimTec1_001680 CN(C)c1ccc(cc1)N/2CC(=O)S\C2=N\C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M09 compound treatment 0.204 0.19237 1.0027 0.285 0.26473 1.4711 0.054 0.03162 0.1788 1.5315 0.8559 1163310 TimTec1_001681 CN(C(=O)CSc1ccccc1C(=O)O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M10 compound treatment 0.231 0.21937 1.1434 0.222 0.20173 1.121 0.297 0.27462 1.553 2.204 0.988 1289766 TimTec1_001682 Cc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M11 compound treatment 0.094 0.082374 0.4294 0.013 -0.00727 -0.0404 0.06 0.03762 0.2127 0.3474 0.7224 3211059 TimTec1_001683 O=C/1ON=C(\C1=C\C=C\c2ccccc2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M12 compound treatment 0.052 0.040374 0.2104 -0.101 -0.12127 -0.6739 0.0 -0.02238 -0.1266 -0.3407 -0.4749 1227323 TimTec1_001684 O=C(C1C(c2cccnc2)C(C#N)(C#N)C3C=Cc4ccccc4N13)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M13 compound treatment 0.0 -0.011626 -0.0606 0.114 0.09373 0.5209 -0.043 -0.06538 -0.3697 0.0523 0.0815 1914043 TimTec1_001685 CCSc1sc(CN(C)C)cc1/C=N/O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M14 compound treatment 0.013 0.0013745 0.0072 -0.066 -0.08627 -0.4794 0.125 0.10262 0.5803 0.0624 0.0829 1340838 TimTec1_001686 CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2C1c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M15 compound treatment 0.104 0.092374 0.4815 0.007 -0.01327 -0.0737 -0.03 -0.05238 -0.2962 0.0644 0.1129 1362482 TimTec1_001687 Nc1nonc1NC(=O)CSc2ncccc2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M16 compound treatment -0.107 -0.11863 -0.6183 0.236 0.21573 1.1988 -0.421 -0.44338 -2.5074 -1.1125 -0.3907 1375046 TimTec1_001688 NNC(=O)CSCc1ccc(Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M17 compound treatment 0.204 0.19237 1.0027 -0.046 -0.06627 -0.3683 -0.025 -0.04738 -0.2679 0.2116 0.1921 1460899 TimTec1_001689 CC(=O)Nc1nonc1N2CCCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M18 compound treatment 0.079 0.067374 0.3512 0.006 -0.01427 -0.0793 0.325 0.30262 1.7114 1.145 0.6547 1065783 TimTec1_001690 CNC(=S)Nc1ccc(C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M19 compound treatment -0.072 -0.083626 -0.4359 -0.098 -0.11827 -0.6572 0.106 0.08362 0.4729 -0.3581 -0.3894 1042406 TimTec1_001691 Clc1ccc(NC(=O)NC2CCCCC2)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M20 compound treatment -0.169 -0.18063 -0.9415 0.265 0.24473 1.36 0.101 0.07862 0.4446 0.4983 0.291 1082102 TimTec1_001692 COc1ccc(NC(=S)Nc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M21 compound treatment 0.132 0.12037 0.6274 0.153 0.13273 0.7376 0.151 0.12862 0.7274 1.208 0.9975 3211060 TimTec1_001693 CN1C/C(=C\c2ccccc2C)/C(=O)\C(=C\c3ccccc3C)\C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M22 compound treatment -0.11 -0.12163 -0.6339 0.064 0.04373 0.243 0.006 -0.01638 -0.0926 -0.2792 -0.4074 3083226 TimTec1_001694 O=C(/C(=C\1/NC(=O)c2ccccc2N1)/C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M23 mock treatment 0.024 0.012374 0.0645 -0.019 -0.03927 -0.2182 0.071 0.04862 0.275 0.07 0.1961 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 M24 mock treatment -0.226 -0.23763 -1.2386 -0.05 -0.07027 -0.3905 0.146 0.12362 0.6991 -0.5369 -0.364 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N01 compound treatment 0.0 -0.011626 -0.0606 0.052 0.03173 0.1763 0.326 0.30362 1.717 1.0581 0.6127 1397605 TimTec1_001695 Cc1ccc(cc1)N(C2CCS(=O)(=O)C2)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N02 compound treatment 0.051 0.039374 0.2052 0.055 0.03473 0.193 -0.056 -0.07838 -0.4433 -0.026 -0.0495 1024491 TimTec1_001696 COC(=O)c1ccc(=O)oc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N03 compound treatment 0.073 0.061374 0.3199 0.051 0.03073 0.1708 0.069 0.04662 0.2636 0.4355 0.9714 3211061 TimTec1_001697 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N04 compound treatment -0.099 -0.11063 -0.5766 -0.032 -0.05227 -0.2905 -0.062 -0.08438 -0.4772 -0.7761 -0.9667 3083229 TimTec1_001698 Brc1cccc(c1)C(=O)C2=CC3Cc4ccccc4C3C=C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N05 compound treatment 0.033 0.021374 0.1114 0.068 0.04773 0.2652 -0.006 -0.02838 -0.1605 0.1248 0.3788 1440003 TimTec1_001699 CCc1cc(c2n[nH]c(CCC(=O)O)c2c3nc4ccccc4n3C)c(O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N06 compound treatment -0.204 -0.21563 -1.1239 0.0 -0.02027 -0.1126 -0.039 -0.06138 -0.3471 -0.9143 -0.7738 3083231 TimTec1_001700 OC(=O)C1(SCCCS1)C2CCC3OCOC3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N07 compound treatment 0.221 0.20937 1.0913 -0.006 -0.02627 -0.146 -0.151 -0.17338 -0.9805 -0.0203 -0.0138 1108575 TimTec1_001701 C[N+](=Cc1ccc(C#N)cc1)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N08 compound treatment 0.048 0.036374 0.1896 -0.055 -0.07527 -0.4183 0.1 0.07762 0.439 0.1214 0.1911 1363444 TimTec1_001702 OC(CN1C(=O)c2ccccc2C1=O)CN3CCN(CC3)c4ccccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N09 compound treatment 0.066 0.054374 0.2834 0.078 0.05773 0.3208 0.114 0.09162 0.5181 0.648 0.9641 1864240 TimTec1_001703 COc1cc(/C=C(\C#N)/c2ccc(Cl)cc2)ccc1OC(=O)C3COc4ccccc4O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N10 compound treatment 0.014 0.0023745 0.0124 0.056 0.03573 0.1986 0.214 0.19162 1.0836 0.7474 0.6784 3082142 TimTec1_001704 CC(=O)O/C(=C\c1cn(C(=O)C)c2ccccc12)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N11 compound treatment -0.081 -0.092626 -0.4828 -0.035 -0.05527 -0.3071 -0.166 -0.18838 -1.0653 -1.0711 -0.8858 1722000 TimTec1_001705 Cc1cccc(c1)N2C(=O)c3sc4nccc(=O)n4c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N12 compound treatment 0.006 -0.0056255 -0.0293 -0.07 -0.09027 -0.5016 0.138 0.11562 0.6539 0.0709 0.086 1517994 TimTec1_001706 Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c4ccccc4)c5ccccc5)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N13 compound treatment 0.248 0.23637 1.232 0.237 0.21673 1.2044 -0.058 -0.08038 -0.4546 1.1442 0.6421 3082144 TimTec1_001707 Fc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N14 compound treatment 0.028 0.016374 0.0853 -0.071 -0.09127 -0.5072 0.028 0.0056202 0.0318 -0.2252 -0.437 1606324 TimTec1_001708 CN(C)c1nc2ccc(OCCN3CCOCC3)cc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N15 compound treatment -0.039 -0.050626 -0.2639 0.17 0.14973 0.8321 0.072 0.04962 0.2806 0.4901 0.5345 3082146 TimTec1_001709 CC(CC(=O)O)n1ccnc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N16 compound treatment -0.157 -0.16863 -0.8789 -0.071 -0.09127 -0.5072 0.054 0.03162 0.1788 -0.697 -0.6765 3211063 TimTec1_001710 CCNC(=S)Nc1ccc(F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N17 compound treatment -0.071 -0.082626 -0.4307 -0.108 -0.12827 -0.7128 0.0 -0.02238 -0.1266 -0.7333 -0.8705 3082148 TimTec1_001711 C(CSc1nc2ccccc2o1)Sc3nc4ccccc4o3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N18 compound treatment 0.598 0.58637 3.0563 -0.006 -0.02627 -0.146 -0.019 -0.04138 -0.234 1.5452 0.5035 1722403 TimTec1_001712 OC(OCC1Cc2ccccc2O1)C3Cc4ccccc4O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N19 compound treatment -0.025 -0.036626 -0.1909 -0.06 -0.08027 -0.4461 -0.045 -0.06738 -0.381 -0.5878 -0.9527 3211064 TimTec1_001713 COc1ccc(/C=c/2\[nH]c(=O)\c(=C/c3ccc(OC)cc3)\[nH]c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N20 compound treatment -0.368 -0.37963 -1.9787 -0.128 -0.14827 -0.824 0.066 0.04362 0.2467 -1.4757 -0.684 1707203 TimTec1_001714 Cc1cccc(Nc2nc3nonc3nc2Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N21 compound treatment -0.04 -0.051626 -0.2691 -0.124 -0.14427 -0.8017 0.038 0.01562 0.0883 -0.5672 -0.6671 3211065 TimTec1_001715 CC(C)(C)C1(O)C=C(O)C(=O)N1c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N22 compound treatment -0.068 -0.079626 -0.415 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 -0.3777 -0.8426 1565579 TimTec1_001716 O=C(OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3)c4cc5ccccc5oc4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N23 mock treatment -0.05 -0.061626 -0.3212 0.102 0.08173 0.4542 -0.038 -0.06038 -0.3415 -0.1204 -0.1844 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 N24 mock treatment -0.036 -0.047626 -0.2482 0.081 0.06073 0.3375 0.209 0.18662 1.0554 0.6608 0.582 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O01 compound treatment 0.118 0.10637 0.5544 -0.099 -0.11927 -0.6628 0.113 0.09062 0.5125 0.2333 0.2322 3211066 TimTec1_001717 CC1=C(C)C2C(=NC(=NC2=O)c3ccc(o3)c4ccc(cc4)C(=O)O)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O02 compound treatment 0.086 0.074374 0.3877 -0.013 -0.03327 -0.1849 -0.06 -0.08238 -0.4659 -0.1519 -0.2397 3082153 TimTec1_001718 CCOC(=O)c1[nH]c(C)c(CC(C)C)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O03 compound treatment -0.035 -0.046626 -0.243 -0.153 -0.17327 -0.9629 0.126 0.10362 0.586 -0.3579 -0.3104 1487341 TimTec1_001719 COc1ccc(NC(c2ccc(C)cc2)n3ncc4c(=O)n(C)c5ccccc5c34)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O04 compound treatment 0.018 0.0063745 0.0332 0.097 0.07673 0.4264 0.159 0.13662 0.7726 0.7114 0.8056 3082155 TimTec1_001720 Cc1sc2NC(NC(=O)c2c1C)/C=C/c3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O05 compound treatment -0.083 -0.094626 -0.4932 -0.126 -0.14627 -0.8128 0.047 0.02462 0.1392 -0.6737 -0.7011 3211067 TimTec1_001721 CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C(=O)Nc4ccccc43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O06 compound treatment 0.207 0.19537 1.0183 0.012 -0.00827 -0.046 0.123 0.10062 0.569 0.8899 0.7623 1300191 TimTec1_001722 C(Nc1ncnc2nc[nH]c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O07 compound treatment 0.344 0.33237 1.7324 0.104 0.08373 0.4653 0.236 0.21362 1.2081 1.9663 0.9092 3211068 TimTec1_001723 Cc1nn(c(C)c1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O08 compound treatment 0.222 0.21037 1.0965 0.058 0.03773 0.2097 0.39 0.36762 2.079 1.9544 0.8282 1782754 TimTec1_001724 OC(=O)c1c[nH]c2ccccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O09 compound treatment 0.029 0.017374 0.0906 -0.012 -0.03227 -0.1793 0.036 0.01362 0.077 -0.0068 -0.0315 1165165 TimTec1_001725 C=CCn1nnnc1SCc2cccc(CSc3nnnn3CC=C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O10 compound treatment 0.329 0.31737 1.6542 0.06 0.03973 0.2208 0.042 0.01962 0.111 1.1466 0.6855 1284834 TimTec1_001726 CCc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O11 compound treatment 0.395 0.38337 1.9982 0.193 0.17273 0.9599 0.282 0.25962 1.4682 2.5555 0.9611 3209092 TimTec1_001727 OC(=O)c1ccc(N/C=C/2\C(=O)ON=C2c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O12 compound treatment -0.098 -0.10963 -0.5714 -0.106 -0.12627 -0.7017 -0.11 -0.13238 -0.7486 -1.1672 -0.9939 1145898 TimTec1_001728 Nc1nc2CCCCCc2c(c1C#N)c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O13 compound treatment -0.021 -0.032626 -0.1701 0.097 0.07673 0.4264 0.141 0.11862 0.6708 0.5353 0.6585 3209093 TimTec1_001729 Cc1cc(C(=O)O)c(s1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O14 compound treatment 0.084 0.072374 0.3772 -0.085 -0.10527 -0.585 0.019 -0.0033798 -0.0191 -0.131 -0.1881 1667092 TimTec1_001730 COc1ccc(cc1)c2c[nH]c(=N)s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O15 compound treatment 0.024 0.012374 0.0645 -0.095 -0.11527 -0.6406 -0.09 -0.11238 -0.6355 -0.6995 -0.7732 1602686 TimTec1_001731 Nc1nonc1NC(=O)CSC2=NCCS2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O16 compound treatment -0.083 -0.094626 -0.4932 0.22 0.19973 1.1099 -0.037 -0.05938 -0.3358 0.1622 0.1287 1216965 TimTec1_001732 COc1ccc(cc1OC)S(=O)(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O17 compound treatment -0.101 -0.11263 -0.587 0.071 0.05073 0.2819 0.104 0.08162 0.4616 0.0903 0.1132 3209094 TimTec1_001733 CC(=O)Nc1nonc1Nc2csc(CC#N)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O18 compound treatment 0.05 0.038374 0.2 -0.093 -0.11327 -0.6295 0.096 0.07362 0.4163 -0.0076 -0.0097 3082865 TimTec1_001734 Cc1cccc(C)c1NS(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O19 compound treatment 0.025 0.013374 0.0697 -0.084 -0.10427 -0.5794 -0.096 -0.11838 -0.6695 -0.6808 -0.7666 3209095 TimTec1_001735 OC(=O)Nc1cc(Cl)cc(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O20 compound treatment -0.145 -0.15663 -0.8164 0.233 0.21273 1.1822 0.06 0.03762 0.2127 0.334 0.23 3082867 TimTec1_001736 OC(=O)c1ccc(/N=C/c2ccc(o2)c3ccc(Cl)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O21 compound treatment 0.029 0.017374 0.0906 0.167 0.14673 0.8154 0.244 0.22162 1.2533 1.2467 0.8322 1913174 TimTec1_001737 CN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O22 compound treatment -0.097 -0.10863 -0.5662 0.172 0.15173 0.8432 0.324 0.30162 1.7057 1.1447 0.5766 1594528 TimTec1_001738 NC(=O)c1ccc(OC2CSC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O23 mock treatment -0.171 -0.18263 -0.9519 -0.091 -0.11127 -0.6183 -0.057 -0.07938 -0.4489 -1.1658 -0.955 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 O24 mock treatment 0.056 0.044374 0.2313 0.025 0.00473 0.0263 0.091 0.06862 0.3881 0.3728 0.8237 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P01 compound treatment 0.0 -0.011626 -0.0606 -0.067 -0.08727 -0.485 0.029 0.0066202 0.0374 -0.2934 -0.5985 1562676 TimTec1_001739 S=c1oc(Cc2ccccc2)nn1CN3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P02 compound treatment -0.039 -0.050626 -0.2639 0.033 0.01273 0.0707 -0.159 -0.18138 -1.0257 -0.7037 -0.6629 1066227 TimTec1_001740 CC(=O)Nc1nc(C)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P03 compound treatment -0.138 -0.14963 -0.7799 0.061 0.04073 0.2263 -0.096 -0.11838 -0.6695 -0.7061 -0.6709 3209096 TimTec1_001741 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1c4ccc(C)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P04 compound treatment 0.064 0.052374 0.273 0.149 0.12873 0.7154 -0.06 -0.08238 -0.4659 0.3017 0.3366 1472764 TimTec1_001742 OCCNC(=O)c1ccc2OCCOCCOCCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P05 compound treatment -0.086 -0.097626 -0.5088 0.006 -0.01427 -0.0793 0.093 0.07062 0.3994 -0.109 -0.1672 1707455 TimTec1_001743 C(N1CCCc2ccccc12)c3cn4ccccc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P06 compound treatment -0.096 -0.10763 -0.561 -0.218 -0.23827 -1.3241 -0.205 -0.22738 -1.2859 -1.8307 -0.949 1631427 TimTec1_001744 COc1ccc2c(CCC3=C(C)C(=O)CCC32C)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P07 compound treatment 0.263 0.25137 1.3102 0.205 0.18473 1.0266 0.192 0.16962 0.9592 1.903 0.9906 1684686 TimTec1_001745 N1C(Nc2cccc3cccc1c23)c4ccncc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P08 compound treatment -0.039 -0.050626 -0.2639 0.181 0.16073 0.8932 0.301 0.27862 1.5756 1.273 0.6955 1244779 TimTec1_001746 C(OCc1ccccc1)C(CSc2ccccc2)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P09 compound treatment -0.085 -0.096626 -0.5036 0.032 0.01173 0.0652 -0.049 -0.07138 -0.4037 -0.4862 -0.7495 3082946 TimTec1_001747 Clc1ccccc1/C=C/C(=O)Nc2nnc[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P10 compound treatment 0.024 0.012374 0.0645 0.367 0.34673 1.9268 0.2 0.17762 1.0045 1.7296 0.7956 3209097 TimTec1_001748 O=C/1OC(=N\C1=C/c2c[nH]c3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P11 compound treatment 0.046 0.034374 0.1792 -0.012 -0.03227 -0.1793 0.131 0.10862 0.6143 0.3546 0.5336 1718471 TimTec1_001749 CCCc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P12 compound treatment -0.095 -0.10663 -0.5558 0.023 0.00273 0.0152 0.042 0.01962 0.111 -0.248 -0.4375 1434439 TimTec1_001750 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P13 compound treatment 0.188 0.17637 0.9193 0.096 0.07573 0.4208 0.341 0.31862 1.8019 1.814 0.878 3209098 TimTec1_001751 Cc1nnc(C)n1/N=C/C=C\c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P14 compound treatment -0.062 -0.073626 -0.3838 -0.09 -0.11027 -0.6128 -0.007 -0.02938 -0.1661 -0.6713 -0.9048 1284591 TimTec1_001752 CS(=O)(=O)Cc1ccc(Oc2ccc(NS(=O)(=O)C)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P15 compound treatment 0.088 0.076374 0.3981 0.207 0.18673 1.0377 0.211 0.18862 1.0667 1.4448 0.9379 1689423 TimTec1_001753 COc1cc-2c(CC3N(C)CCc4c(OC)c(OC)c(OC)c2c34)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P16 compound treatment 0.082 0.070374 0.3668 0.119 0.09873 0.5487 0.079 0.05662 0.3202 0.7134 0.9725 3082952 TimTec1_001754 CCNC(=S)N1CCOCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P17 compound treatment 0.019 0.0073745 0.0384 -0.087 -0.10727 -0.5961 -0.06 -0.08238 -0.4659 -0.5909 -0.7801 1735540 TimTec1_001755 CCCCn1c(=O)oc2cc(Br)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P18 compound treatment 0.218 0.20637 1.0757 0.036 0.01573 0.0874 0.068 0.04562 0.258 0.8205 0.7394 3209099 TimTec1_001756 FC(F)(F)c1cccc(NC(=O)CSc2cccc3cccnc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P19 compound treatment 0.213 0.20137 1.0496 0.388 0.36773 2.0435 -0.083 -0.10538 -0.5959 1.4418 0.6075 3082954 TimTec1_001757 CCN1CC(=O)N(C1=S)c2ccccc2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P20 compound treatment 0.006 -0.0056255 -0.0293 0.032 0.01173 0.0652 -0.112 -0.13438 -0.7599 -0.418 -0.5477 1412266 TimTec1_001758 CC(=O)n1c2ccc(C)cc2c3nc4ccccc4nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P21 compound treatment 0.112 0.10037 0.5232 -0.119 -0.13927 -0.7739 0.0 -0.02238 -0.1266 -0.2179 -0.2311 3209100 TimTec1_001759 Cc1cn(C2CC(NC(=O)C(C)(C)C)C(CO)O2)c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P22 compound treatment 0.206 0.19437 1.0131 0.295 0.27473 1.5267 0.23 0.20762 1.1741 2.1443 0.9853 1065752 TimTec1_001760 O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P23 mock treatment -0.007 -0.018626 -0.0971 0.0 -0.02027 -0.1126 0.114 0.09162 0.5181 0.1781 0.3303 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2067 P24 mock treatment -0.154 -0.16563 -0.8633 0.052 0.03173 0.1763 0.0 -0.02238 -0.1266 -0.4697 -0.5276 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A01 compound treatment 0.105 0.093374 0.4867 0.118 0.09773 0.5431 0.259 0.23662 1.3381 1.3671 0.8971 3082958 TimTec1_001761 O=C1C(=Cc2cccnc2)C(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A02 compound treatment 0.094 0.082374 0.4294 -0.053 -0.07327 -0.4072 0.007 -0.01538 -0.087 -0.0374 -0.0625 3209101 TimTec1_001762 COc1ccc2S/C(=C/3\OC(=S)N(C)C3=O)/N(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A03 compound treatment 0.039 0.027374 0.1427 -0.066 -0.08627 -0.4794 -0.046 -0.06838 -0.3867 -0.4177 -0.6606 1919999 TimTec1_001763 Cc1cc(Br)c(c(Br)c1)S(=O)(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A04 compound treatment -0.308 -0.31963 -1.666 -0.086 -0.10627 -0.5906 -0.465 -0.48738 -2.7562 -2.8941 -0.8839 1199633 TimTec1_001764 NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A05 compound treatment 0.049 0.037374 0.1948 0.077 0.05673 0.3153 0.172 0.14962 0.8461 0.783 0.8477 1313236 TimTec1_001765 Cc1ccc(OCC(=O)O)c(c1)c2ccno2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A06 compound treatment -0.038 -0.049626 -0.2587 0.124 0.10373 0.5764 0.043 0.02062 0.1166 0.2508 0.3904 1074315 TimTec1_001766 Cc1ccc(cc1)c2nc3ccccc3c(=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A07 compound treatment -0.031 -0.042626 -0.2222 -0.048 -0.06827 -0.3794 -0.025 -0.04738 -0.2679 -0.502 -0.975 1096423 TimTec1_001767 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A08 compound treatment -0.044 -0.055626 -0.2899 -0.044 -0.06427 -0.3572 -0.012 -0.03438 -0.1944 -0.4858 -0.9728 3209102 TimTec1_001768 Cc1ccc(s1)C(=O)CSCC(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A09 compound treatment -0.024 -0.035626 -0.1857 0.0 -0.02027 -0.1126 -0.094 -0.11638 -0.6581 -0.5522 -0.7968 1239893 TimTec1_001769 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccccc2)(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A10 compound treatment -0.071 -0.082626 -0.4307 -0.179 -0.19927 -1.1074 -0.031 -0.05338 -0.3019 -1.0623 -0.8665 1315182 TimTec1_001770 Cc1cccc(n1)C2Nc3ccccc3C(=O)N2CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A11 compound treatment 0.0 -0.011626 -0.0606 0.013 -0.00727 -0.0404 -0.129 -0.15138 -0.8561 -0.5526 -0.6431 1522752 TimTec1_001771 COc1ccccc1c2oc3ccccc3c(=O)c2OC(=O)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A12 compound treatment -0.156 -0.16763 -0.8737 0.063 0.04273 0.2375 -0.02 -0.04238 -0.2397 -0.5057 -0.54 1519057 TimTec1_001772 CC(NC(=O)COc1ccccc1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A13 compound treatment 0.021 0.0093745 0.0489 0.268 0.24773 1.3767 0.0 -0.02238 -0.1266 0.75 0.5421 3082964 TimTec1_001773 COC(=O)c1sc2nc(C)cc(c2c1N)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A14 compound treatment -0.394 -0.40563 -2.1142 -0.13 -0.15027 -0.8351 -0.347 -0.36938 -2.0889 -2.9088 -0.9422 1723203 TimTec1_001774 NNC(=O)C(O)c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A15 compound treatment 0.021 0.0093745 0.0489 -0.057 -0.07727 -0.4294 -0.06 -0.08238 -0.4659 -0.4887 -0.769 3209103 TimTec1_001775 COc1ccc(/C=C\2/SC(=S)NC2=O)cc1COc3ccc(F)cc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A16 compound treatment -0.413 -0.42463 -2.2132 -0.478 -0.49827 -2.769 -0.524 -0.54638 -3.0899 -4.6604 -0.9911 1432060 TimTec1_001776 NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A17 compound treatment 0.25 0.23837 1.2425 0.007 -0.01327 -0.0737 0.154 0.13162 0.7443 1.1045 0.7616 1236095 TimTec1_001777 COc1ccc(cc1)c2cc([nH]c(=S)c2C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A18 compound treatment -0.063 -0.074626 -0.389 -0.037 -0.05727 -0.3183 -0.084 -0.10638 -0.6016 -0.7556 -0.964 1129328 TimTec1_001778 COc1ccccc1CCNC(=O)c2ccc(COc3ccccc3Cl)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A19 compound treatment 0.089 0.077374 0.4033 -0.014 -0.03427 -0.1904 0.093 0.07062 0.3994 0.3535 0.5904 3083042 TimTec1_001779 Oc1ccc(Br)cc1/C=N/n2cnc3sc4CCCCc4c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A20 compound treatment -0.117 -0.12863 -0.6704 -0.127 -0.14727 -0.8184 0.066 0.04362 0.2467 -0.7172 -0.6602 1178649 TimTec1_001780 COc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A21 compound treatment -0.099 -0.11063 -0.5766 -0.078 -0.09827 -0.5461 0.025 0.0026202 0.0148 -0.6396 -0.8053 1547489 TimTec1_001781 CCOC(=O)COc1ccc(Br)cc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A22 compound treatment 0.045 0.033374 0.174 -0.037 -0.05727 -0.3183 -0.019 -0.04138 -0.234 -0.2184 -0.506 3209104 TimTec1_001782 CC(C)(C)S(=O)(=O)c1ccccc1/C=N/O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A23 mock treatment 0.087 0.075374 0.3929 0.086 0.06573 0.3653 0.077 0.05462 0.3089 0.616 0.9952 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 A24 mock treatment 0.007 -0.0046255 -0.0241 -0.083 -0.10327 -0.5739 0.034 0.01162 0.0657 -0.3073 -0.5316 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B01 compound treatment 0.049 0.037374 0.1948 -0.12 -0.14027 -0.7795 -0.153 -0.17538 -0.9918 -0.9102 -0.7131 3083046 TimTec1_001783 N/C(=N\O)/C(=O)Nc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B02 compound treatment -0.115 -0.12663 -0.66 -0.065 -0.08527 -0.4739 0.273 0.25062 1.4173 0.1636 0.1002 1679359 TimTec1_001784 OC(=O)CCCN1C(=O)CSC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B03 compound treatment -0.108 -0.11963 -0.6235 -0.094 -0.11427 -0.635 -0.051 -0.07338 -0.415 -0.9662 -0.984 3209105 TimTec1_001785 CC(c1cc(Cl)ccc1[N+]#[C-])S(=O)(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B04 compound treatment -0.073 -0.084626 -0.4411 -0.166 -0.18627 -1.0351 0.024 0.0016202 0.0092 -0.847 -0.7527 1620877 TimTec1_001786 CC(C)(C)c1nc(C#N)c(o1)N2CCC(CC2)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B05 compound treatment -0.027 -0.038626 -0.2013 -0.114 -0.13427 -0.7462 -0.049 -0.07138 -0.4037 -0.7801 -0.8947 1533552 TimTec1_001787 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCC2=CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B06 compound treatment -0.175 -0.18663 -0.9727 -0.034 -0.05427 -0.3016 -0.067 -0.08938 -0.5055 -1.0276 -0.9038 3083049 TimTec1_001788 Brc1ccc2C(C#N)C(C=Cc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B07 compound treatment -0.007 -0.018626 -0.0971 0.074 0.05373 0.2986 0.055 0.03262 0.1845 0.2228 0.612 1606872 TimTec1_001789 CCOC(=O)C1=C(C)N(C(=C(C#N)C1c2ccc(Br)cc2)N)c3nonc3NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B08 compound treatment -0.019 -0.030626 -0.1596 0.082 0.06173 0.343 0.163 0.14062 0.7952 0.565 0.6416 3083051 TimTec1_001790 O=C(NC1=SC2=C(CCCC2)C1C#N)c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B09 compound treatment 0.107 0.095374 0.4971 0.053 0.03273 0.1819 0.089 0.06662 0.3767 0.6095 0.9381 3209106 TimTec1_001791 CCOC(=O)c1c(N)c[nH]c1NCc2ccc(Cl)nc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B10 compound treatment -0.115 -0.12663 -0.66 0.013 -0.00727 -0.0404 0.149 0.12662 0.7161 0.009 0.0093 3209225 TimTec1_001792 Cc1c(/C=C/2\S/C(=N/c3ccccc3)/N(C4CCCC4)C2=O)c5ccccc5n1CC(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B11 compound treatment -0.094 -0.10563 -0.5505 0.051 0.03073 0.1708 -0.039 -0.06138 -0.3471 -0.4197 -0.6237 1450803 TimTec1_001793 CCN(CC)c1nc2ccccc2c(=O)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B12 compound treatment -0.006 -0.017626 -0.0919 0.139 0.11873 0.6598 -0.038 -0.06038 -0.3415 0.1308 0.1747 3083054 TimTec1_001794 COc1ccc(cc1)c2nn(CN3CCOCC3)c(=S)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B13 compound treatment -0.158 -0.16963 -0.8841 -0.215 -0.23527 -1.3074 -0.228 -0.25038 -1.4159 -2.0828 -0.9823 1437460 TimTec1_001795 Cc1nn(c2SC(=C3C(c12)c4ccccc4OC3=O)N)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B14 compound treatment -0.061 -0.072626 -0.3785 0.007 -0.01327 -0.0737 -0.033 -0.05538 -0.3132 -0.4419 -0.8896 1123272 TimTec1_001796 CSc1nc2ccc(cc2s1)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B15 compound treatment -0.141 -0.15263 -0.7955 -0.148 -0.16827 -0.9351 0.183 0.16062 0.9083 -0.4747 -0.3109 3209226 TimTec1_001797 CC1CS/C(=C(/C(=O)O)\C(=O)/C=C/c2cccc(O)c2)/S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B16 compound treatment 0.047 0.035374 0.1844 -0.031 -0.05127 -0.2849 -0.043 -0.06538 -0.3697 -0.2715 -0.541 1179029 TimTec1_001798 C(Cn1c(CSc2nc3ccccc3o2)nc4ccccc14)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B17 compound treatment -0.252 -0.26363 -1.3741 -0.247 -0.26727 -1.4853 -0.058 -0.08038 -0.4546 -1.9133 -0.9226 3209227 TimTec1_001799 OC(=O)C(Cc1c[nH]cn1)NC2CNN=C2c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B18 compound treatment 0.112 0.10037 0.5232 -0.071 -0.09127 -0.5072 -0.172 -0.19438 -1.0993 -0.6254 -0.4742 3209228 TimTec1_001800 Cc1ccc(cc1)C2=NNC(S2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B19 compound treatment 0.265 0.25337 1.3206 -0.134 -0.15427 -0.8573 0.461 0.43862 2.4805 1.6996 0.5785 1431685 TimTec1_001801 Fc1cccc(Cl)c1c2nc(=S)[nH]c3[nH]c(=S)[nH]c(=S)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B20 compound treatment -0.006 -0.017626 -0.0919 -0.171 -0.19127 -1.0629 0.248 0.22562 1.2759 0.0699 0.0421 1251757 TimTec1_001802 Fc1ccc(CSc2ccccc2C(=O)NC3CC3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B21 compound treatment 0.28 0.26837 1.3988 0.043 0.02273 0.1263 0.06 0.03762 0.2127 1.0034 0.7063 3209229 TimTec1_001803 NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B22 compound treatment -0.051 -0.062626 -0.3264 -0.045 -0.06527 -0.3627 0.032 0.0096202 0.0544 -0.3665 -0.7464 1601676 TimTec1_001804 O=C(COc1ccccc1)Nc2ccc(cc2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B23 mock treatment -0.033 -0.044626 -0.2326 -0.043 -0.06327 -0.3516 -0.065 -0.08738 -0.4941 -0.6226 -0.9585 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 B24 mock treatment 0.006 -0.0056255 -0.0293 0.088 0.06773 0.3764 -0.128 -0.15038 -0.8504 -0.2906 -0.3123 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C01 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 0.197 0.17462 0.9875 0.4701 0.4721 1124602 TimTec1_001805 CCCC(=O)CC(C1C(=O)c2ccccc2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C02 compound treatment -0.04 -0.051626 -0.2691 -0.062 -0.08227 -0.4572 0.077 0.05462 0.3089 -0.241 -0.3926 1456543 TimTec1_001806 NC(=S)Nc1ccc(cc1)S(=O)(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C03 compound treatment 0.222 0.21037 1.0965 0.032 0.01173 0.0652 0.42 0.39762 2.2486 1.969 0.7868 3083139 TimTec1_001807 CN(C(=S)SCc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C04 compound treatment -0.007 -0.018626 -0.0971 -0.077 -0.09727 -0.5405 -0.097 -0.11938 -0.6751 -0.7579 -0.8709 3209230 TimTec1_001808 COc1ccc(cc1)C2NNC(=S)S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C05 compound treatment 0.085 0.073374 0.3824 0.06 0.03973 0.2208 0.411 0.38862 2.1977 1.6171 0.7214 1627479 TimTec1_001809 Clc1ccc2occ(c3nc4ccccc4[nH]3)c(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C06 compound treatment -0.235 -0.24663 -1.2855 0.078 0.05773 0.3208 -0.046 -0.06838 -0.3867 -0.7802 -0.5653 1585678 TimTec1_001810 CCCC(Nc1cc(Cl)cc(Cl)c1)n2nnc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C07 compound treatment -0.153 -0.16463 -0.8581 -0.136 -0.15627 -0.8684 -0.059 -0.08138 -0.4602 -1.2625 -0.9677 1693611 TimTec1_001811 COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C08 compound treatment 0.047 0.035374 0.1844 0.288 0.26773 1.4878 0.136 0.11362 0.6425 1.3364 0.8193 1333990 TimTec1_001812 COc1c2COC(=O)c2c(CSc3nnnn3c4ccccc4)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C09 compound treatment 0.007 -0.0046255 -0.0241 -0.026 -0.04627 -0.2571 -0.069 -0.09138 -0.5168 -0.4607 -0.7975 1282090 TimTec1_001813 COc1cc2ccc(=O)oc2c(OC(=O)C)c1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C10 compound treatment 0.013 0.0013745 0.0072 0.203 0.18273 1.0155 0.127 0.10462 0.5916 0.932 0.793 1488752 TimTec1_001814 O=C(CSc1nnnn1Cc2ccccc2)Nc3ccccc3Oc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C11 compound treatment -0.117 -0.12863 -0.6704 -0.468 -0.48827 -2.7134 -0.545 -0.56738 -3.2086 -3.8062 -0.8945 3083144 TimTec1_001815 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3SCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C12 compound treatment -0.105 -0.11663 -0.6079 -0.107 -0.12727 -0.7073 -0.041 -0.06338 -0.3584 -0.9662 -0.9671 1118830 TimTec1_001816 CCc1ccc(OCC(=O)Nc2nnc[nH]2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C13 compound treatment 0.0 -0.011626 -0.0606 0.294 0.27373 1.5212 -0.014 -0.03638 -0.2057 0.7245 0.4716 1376257 TimTec1_001817 OC(=O)C1CCCCC1C(=O)Nc2ccc3OCCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C14 compound treatment 0.113 0.10137 0.5284 -0.02 -0.04027 -0.2238 -0.02 -0.04238 -0.2397 0.0375 0.0603 1783811 TimTec1_001818 CCCc1cc(=O)nc(SCC(=O)N)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C15 compound treatment 0.229 0.21737 1.133 0.106 0.08573 0.4764 0.021 -0.0013798 -0.0078 0.9247 0.7523 1028427 TimTec1_001819 NC(Cc1ccccc1F)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C16 compound treatment 0.032 0.020374 0.1062 -0.073 -0.09327 -0.5183 0.103 0.08062 0.4559 0.0253 0.0362 1545473 TimTec1_001820 COc1ccccc1OCc2ccc(o2)C(=O)NCC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C17 compound treatment -0.011 -0.022626 -0.1179 0.075 0.05473 0.3041 -0.069 -0.09138 -0.5168 -0.1908 -0.3123 3209231 TimTec1_001821 O=C1C2NN=CC2C(=O)N1Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C18 compound treatment -0.035 -0.046626 -0.243 -0.112 -0.13227 -0.735 0.062 0.03962 0.2241 -0.4353 -0.5401 1165247 TimTec1_001822 CC1Cc2ccccc2N1C(=O)Nc3ccc(Cl)c(Cl)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C19 compound treatment 0.109 0.097374 0.5075 0.017 -0.00327 -0.0182 0.09 0.06762 0.3824 0.5033 0.7917 1627796 TimTec1_001823 COC(=O)c1ccc(CN2CCN(CC2)c3ccccc3OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C20 compound treatment 0.108 0.096374 0.5023 -0.071 -0.09127 -0.5072 0.118 0.09562 0.5408 0.3094 0.3455 1491738 TimTec1_001824 O=C(N1CCOCC1)c2ccc(CSc3ncccn3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C21 compound treatment -0.13 -0.14163 -0.7382 -0.049 -0.06927 -0.3849 0.069 0.04662 0.2636 -0.4962 -0.5682 3209232 TimTec1_001825 CN(C)c1ccc(/C=C/C(=O)C(=C2SCCS2)C(=O)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C22 compound treatment -0.143 -0.15463 -0.8059 -0.02 -0.04027 -0.2238 0.028 0.0056202 0.0318 -0.5762 -0.6883 3083151 TimTec1_001826 CCN(CC)S(=O)(=O)c1ccccc1/C=N/O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C23 mock treatment 0.144 0.13237 0.69 0.137 0.11673 0.6487 0.049 0.02662 0.1505 0.8598 0.8966 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 C24 mock treatment 0.006 -0.0056255 -0.0293 0.141 0.12073 0.6709 0.012 -0.01038 -0.0587 0.3365 0.4992 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D01 compound treatment -0.124 -0.13563 -0.7069 0.045 0.02473 0.1374 0.236 0.21362 1.2081 0.3687 0.2621 3209233 TimTec1_001827 CC(Oc1ccc(C)cc1)n2ccc3CCCCc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D02 compound treatment -0.123 -0.13463 -0.7017 0.07 0.04973 0.2764 0.075 0.05262 0.2976 -0.0738 -0.091 1189402 TimTec1_001828 CN(C)CCCN1C(C(=C(O)C1=O)C(=O)c2cccs2)c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D03 compound treatment -0.012 -0.023626 -0.1231 0.189 0.16873 0.9377 -0.276 -0.29838 -1.6874 -0.504 -0.2605 1710381 TimTec1_001829 Cc1ccc(cc1)S(=O)(=O)C(CC=C)c2cc(Cl)ccc2N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D04 compound treatment 0.142 0.13037 0.6795 0.226 0.20573 1.1433 0.656 0.63362 3.5832 3.1212 0.8166 3209234 TimTec1_001830 Cc1ccc2nc(NCc3cccnc3)c(/C=N/Cc4cccnc4)c(=O)n2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D05 compound treatment 0.012 3.7448E-4 0.002 0.052 0.03173 0.1763 0.031 0.0086202 0.0487 0.1311 0.7164 1327331 TimTec1_001831 O=C1N(C(=O)c2ccccc12)c3ccc(C#N)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D06 compound treatment 0.01 -0.0016255 -0.0085 0.029 0.00873 0.0485 0.212 0.18962 1.0723 0.6422 0.5983 1663256 TimTec1_001832 CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D07 compound treatment -0.006 -0.017626 -0.0919 0.054 0.03373 0.1874 0.172 0.14962 0.8461 0.5437 0.6239 3209235 TimTec1_001833 CC(=O)/N=C/1\NC(=O)\C(=C\c2ccc(o2)c3ccc4C(=O)OCc4c3)\S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D08 compound treatment 0.765 0.75337 3.9268 0.029 0.00873 0.0485 0.868 0.84562 4.7821 5.0561 0.8171 1576966 TimTec1_001834 CCOc1ccc2nc3c(=O)[nH]c(=O)nc3[nH]c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D09 compound treatment 0.067 0.055374 0.2886 -0.018 -0.03827 -0.2127 -0.106 -0.12838 -0.726 -0.3753 -0.4635 3209236 TimTec1_001835 CC1(C)COC(=N1)/C=C(\O)/c2ccncc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D10 compound treatment 0.104 0.092374 0.4815 -0.158 -0.17827 -0.9907 -0.097 -0.11938 -0.6751 -0.6838 -0.5293 3082165 TimTec1_001836 Cc1ccc(cc1)/C(=N/O)/N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D11 compound treatment -0.054 -0.065626 -0.3421 0.044 0.02373 0.1319 0.0 -0.02238 -0.1266 -0.1944 -0.5013 1734335 TimTec1_001837 Cc1cccc(c1)N2CCN(CC(O)CN3C(=O)c4ccccc4C3=O)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D12 compound treatment -0.149 -0.16063 -0.8372 -0.03 -0.05027 -0.2794 0.045 0.02262 0.1279 -0.5708 -0.64 1573706 TimTec1_001838 Clc1cccc2cccc(c12)S(=O)(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D13 compound treatment -0.082 -0.093626 -0.488 0.126 0.10573 0.5876 0.036 0.01362 0.077 0.102 0.1328 1609998 TimTec1_001839 CN(C)CCCn1c(N)c(c2nc3ccccc3[nH]2)c4nc(C#N)c(C#N)nc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D14 compound treatment 0.283 0.27137 1.4145 0.12 0.09973 0.5542 -0.053 -0.07538 -0.4263 0.8905 0.5644 3082168 TimTec1_001840 Clc1cc(C#N)ccc1CSc2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D15 compound treatment -0.325 -0.33663 -1.7546 0.095 0.07473 0.4153 -0.078 -0.10038 -0.5677 -1.101 -0.5824 1310660 TimTec1_001841 OC(=O)c1ccc(cc1)C2SCC(=O)N2NS(=O)(=O)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D16 compound treatment -0.133 -0.14463 -0.7538 -0.091 -0.11127 -0.6183 -0.25 -0.27238 -1.5404 -1.6815 -0.9224 1357681 TimTec1_001842 Nn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D17 compound treatment 0.047 0.035374 0.1844 0.2 0.17973 0.9988 0.0 -0.02238 -0.1266 0.61 0.596 3082170 TimTec1_001843 CN(C)c1ccc(cc1)C2=NN(CC2NC(Cc3c[nH]cn3)C(=O)O)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D18 compound treatment 0.071 0.059374 0.3095 -0.135 -0.15527 -0.8629 0.267 0.24462 1.3834 0.4792 0.2888 1273745 TimTec1_001844 O=C(N1CCCc2ccccc12)c3ccccc3SCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D19 compound treatment 0.036 0.024374 0.127 0.138 0.11773 0.6542 0.121 0.09862 0.5577 0.7731 0.8896 3209237 TimTec1_001845 COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D20 compound treatment -0.178 -0.18963 -0.9884 0.862 0.84173 4.6776 -0.099 -0.12138 -0.6864 1.7337 0.3589 3082173 TimTec1_001846 CC(O)C(O)C(O)C(O)C1NN=C(S1)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D21 compound treatment 0.084 0.072374 0.3772 -0.006 -0.02627 -0.146 -0.048 -0.07038 -0.398 -0.0963 -0.1697 3209358 TimTec1_001847 C(Oc1ccccc1)C2CO/C(=N\c3ccccc3)/S2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D22 compound treatment 0.174 0.16237 0.8463 0.2 0.17973 0.9988 -0.035 -0.05738 -0.3245 0.8779 0.6509 1506008 TimTec1_001848 O=C(COc1ccccc1)N2CCN(CC2)C(=O)COc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D23 mock treatment -0.039 -0.050626 -0.2639 0.044 0.02373 0.1319 0.075 0.05262 0.2976 0.0956 0.2281 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 D24 mock treatment 0.083 0.071374 0.372 -0.006 -0.02627 -0.146 0.068 0.04562 0.258 0.2795 0.5875 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E01 compound treatment 0.0 -0.011626 -0.0606 0.054 0.03373 0.1874 0.041 0.01862 0.1053 0.134 0.6 1600927 TimTec1_001849 OC(=O)C1CCCN1C(=O)Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E02 compound treatment 0.305 0.29337 1.5291 -0.301 -0.32127 -1.7853 0.194 0.17162 0.9705 0.4124 0.1622 3209359 TimTec1_001850 CS/C(=N/CC=C)/N1CCN(CC1)\C(=N/CC=C)\SC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E03 compound treatment 0.117 0.10537 0.5492 -0.033 -0.05327 -0.296 0.11 0.08762 0.4955 0.4323 0.5425 1599515 TimTec1_001851 C(N1CCN(Cc2cccs2)C1c3cccs3)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E04 compound treatment -0.075 -0.086626 -0.4515 -0.51 -0.53027 -2.9468 0.013 -0.0093798 -0.053 -1.9926 -0.6683 3209360 TimTec1_001852 C=CCc1nc2ccccc2c(=O)n1CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E05 compound treatment 0.211 0.19937 1.0392 0.054 0.03373 0.1874 -0.025 -0.04738 -0.2679 0.5535 0.5081 1613532 TimTec1_001853 Oc1ccc(Cl)cc1C(=O)c2cnc-3c(COc4ccccc43)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E06 compound treatment 0.051 0.039374 0.2052 -0.064 -0.08427 -0.4683 0.012 -0.01038 -0.0587 -0.1858 -0.361 3082178 TimTec1_001854 N#C/C(=C/c1cccc2ccccc12)/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E07 compound treatment 0.0 -0.011626 -0.0606 -0.014 -0.03427 -0.1904 0.168 0.14562 0.8235 0.3305 0.39 1314321 TimTec1_001855 COC1C2C=COC2=Nc3c(OC)cccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E08 compound treatment -0.133 -0.14463 -0.7538 -0.006 -0.02627 -0.146 -0.31 -0.33238 -1.8797 -1.6047 -0.7903 3082180 TimTec1_001856 CCCCc1cc(CCCC)n2nc(cc2n1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E09 compound treatment 0.145 0.13337 0.6952 -0.043 -0.06327 -0.3516 0.0 -0.02238 -0.1266 0.1253 0.1588 1232294 TimTec1_001857 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(=C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E10 compound treatment 0.181 0.16937 0.8828 0.193 0.17273 0.9599 0.205 0.18262 1.0328 1.6601 0.998 1242147 TimTec1_001858 SC1=NN(C2=C(CCC2)S1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E11 compound treatment 0.051 0.039374 0.2052 0.136 0.11573 0.6431 0.038 0.01562 0.0883 0.5408 0.7943 1647435 TimTec1_001859 CCSc1nnc(NC(=O)C2CC=CCC2C(=O)O)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E12 compound treatment 0.131 0.11937 0.6222 -0.056 -0.07627 -0.4238 0.036 0.01362 0.077 0.159 0.2101 1075403 TimTec1_001860 OC(=O)CCCSc1nc2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E13 compound treatment 0.007 -0.0046255 -0.0241 0.039 0.01873 0.1041 0.139 0.11662 0.6595 0.4269 0.639 3082203 TimTec1_001861 CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc3CC(C)CCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E14 compound treatment 0.184 0.17237 0.8985 0.271 0.25073 1.3933 -0.007 -0.02938 -0.1661 1.2272 0.7366 3082205 TimTec1_001862 Cc1ccn(n1)C(=S)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E15 compound treatment 0.041 0.029374 0.1531 -0.007 -0.02727 -0.1515 -0.09 -0.11238 -0.6355 -0.366 -0.5454 1913414 TimTec1_001863 NC(=O)CSc1nnnn1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E16 compound treatment 0.23 0.21837 1.1382 -0.081 -0.10127 -0.5628 0.182 0.15962 0.9027 0.8534 0.5478 1534949 TimTec1_001864 CC(C)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E17 compound treatment -0.019 -0.030626 -0.1596 -0.087 -0.10727 -0.5961 0.144 0.12162 0.6878 -0.0392 -0.0425 1920302 TimTec1_001865 Cc1sc2ncnc(SCC(=O)O)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E18 compound treatment 0.101 0.089374 0.4658 0.136 0.11573 0.6431 -0.049 -0.07138 -0.4037 0.4072 0.4571 1565212 TimTec1_001866 CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E19 compound treatment 0.133 0.12137 0.6326 -0.085 -0.10527 -0.585 -0.043 -0.06538 -0.3697 -0.186 -0.1983 3082210 TimTec1_001867 CCOc1cccc(/C=C/2\SC(=S)N(CC)C2=O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E20 compound treatment 0.113 0.10137 0.5284 -0.218 -0.23827 -1.3241 0.272 0.24962 1.4116 0.3556 0.1772 1608939 TimTec1_001868 O=C(N1CCOCC1)c2ccc(CSc3cccc4cccnc34)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E21 compound treatment -0.076 -0.087626 -0.4567 -0.035 -0.05527 -0.3071 -0.026 -0.04838 -0.2736 -0.599 -0.9745 3082212 TimTec1_001869 Cc1cc(no1)N2C(=O)CCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E22 compound treatment 0.012 3.7448E-4 0.002 0.203 0.18273 1.0155 0.105 0.08262 0.4672 0.8572 0.7668 3082214 TimTec1_001870 CN(Cc1ccccc1)S(=O)(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E23 mock treatment 0.075 0.063374 0.3303 -0.019 -0.03927 -0.2182 0.006 -0.01638 -0.0926 0.0112 0.0276 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 E24 mock treatment -0.146 -0.15763 -0.8216 -0.1 -0.12027 -0.6684 0.021 -0.0013798 -0.0078 -0.8647 -0.8164 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F01 compound treatment -0.077 -0.088626 -0.4619 -0.068 -0.08827 -0.4905 0.255 0.23262 1.3155 0.2096 0.1418 1506581 TimTec1_001871 CCCc1cc(=S)sc(N)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F02 compound treatment -0.007 -0.018626 -0.0971 -0.068 -0.08827 -0.4905 -0.014 -0.03638 -0.2057 -0.458 -0.8471 1696777 TimTec1_001872 Cc1c(oc2ccccc12)C(=O)NC3CCS(=O)(=O)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F03 compound treatment -0.167 -0.17863 -0.931 0.248 0.22773 1.2655 0.081 0.05862 0.3315 0.3845 0.2395 1274289 TimTec1_001873 COc1ccc(NC=O)c(CS(=O)(=O)c2ccc(C)cc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F04 compound treatment 0.036 0.024374 0.127 -0.193 -0.21327 -1.1852 0.05 0.02762 0.1562 -0.5207 -0.4332 3209361 TimTec1_001874 CC(C)(C)c1ccc(/C=C/C(=O)NC2CCS(=O)(=O)C2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F05 compound treatment -0.045 -0.056626 -0.2951 -0.113 -0.13327 -0.7406 0.135 0.11262 0.6369 -0.2303 -0.2257 3082218 TimTec1_001875 OC(=O)/C=C/C(=O)NN1C(=O)c2ccccc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F06 compound treatment 0.066 0.054374 0.2834 -0.098 -0.11827 -0.6572 0.051 0.02862 0.1619 -0.1224 -0.1668 1130638 TimTec1_001876 CC1(C)Cc2ccccc2-c3nc(SCC(=O)c4ccccc4)n(CC=C)c(=O)c31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F07 compound treatment 0.276 0.26437 1.378 0.211 0.19073 1.0599 0.275 0.25262 1.4286 2.2323 0.9921 1779186 TimTec1_001877 CC(C)COC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F08 compound treatment -0.059 -0.070626 -0.3681 -0.012 -0.03227 -0.1793 0.314 0.29162 1.6492 0.6361 0.3743 3209362 TimTec1_001878 O=C/1NC(=S)S\C1=C/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F09 compound treatment 0.484 0.47237 2.4621 0.328 0.30773 1.7101 0.303 0.28062 1.587 3.3251 0.9803 3209363 TimTec1_001879 CC(C)(C)c1ccc(/C=C/2\CCCC(=C3SCCCS3)C2=O)c4OCOc41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F10 compound treatment -0.166 -0.17763 -0.9258 0.368 0.34773 1.9324 0.55 0.52762 2.9838 2.3038 0.6272 3082222 TimTec1_001880 CN1CC=C2[C@@H](C1)[C@H](c3ccncc3)C(C#N)(C#N)C(=C2C(=O)O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F11 compound treatment 0.051 0.039374 0.2052 0.241 0.22073 1.2266 0.065 0.04262 0.241 0.9658 0.7624 1653015 TimTec1_001881 OC12OCCN(C2=CC(=O)c3ccccc31)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F12 compound treatment -0.062 -0.073626 -0.3838 0.0 -0.02027 -0.1126 -0.053 -0.07538 -0.4263 -0.5327 -0.9114 3082224 TimTec1_001882 Cn1cnnc1SCc2ccc(cc2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F13 compound treatment -0.061 -0.072626 -0.3785 0.261 0.24073 1.3378 -0.045 -0.06738 -0.381 0.3338 0.2316 3209364 TimTec1_001883 Cc1ccc(cc1)C(=O)OC2CSC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F14 compound treatment 0.007 -0.0046255 -0.0241 -0.138 -0.15827 -0.8795 0.049 0.02662 0.1505 -0.4348 -0.4871 1312775 TimTec1_001884 COc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F15 compound treatment -0.041 -0.052626 -0.2743 0.069 0.04873 0.2708 -0.037 -0.05938 -0.3358 -0.1959 -0.3832 3082227 TimTec1_001885 Fc1ccc(cc1Cl)C2=NNC3(C2)C(=O)Nc4ccccc43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F16 compound treatment 0.101 0.089374 0.4658 -0.119 -0.13927 -0.7739 -0.05 -0.07238 -0.4093 -0.4142 -0.4177 1110868 TimTec1_001886 CC(C)(Oc1ccc(Br)cc1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F17 compound treatment 0.252 0.24037 1.2529 0.024 0.00373 0.0207 0.061 0.03862 0.2184 0.8614 0.6772 3209365 TimTec1_001887 CCCC(=O)c1ccc2=Sc3ccccc3N(=c2c1)CCCN(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F18 compound treatment -0.017 -0.028626 -0.1492 -0.025 -0.04527 -0.2516 0.038 0.01562 0.0883 -0.1804 -0.5904 3082260 TimTec1_001888 O=C(NCCOc1ccccc1c2ccccc2)c3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F19 compound treatment 0.091 0.079374 0.4137 0.071 0.05073 0.2819 -0.15 -0.17238 -0.9748 -0.1612 -0.1471 3082232 TimTec1_001889 CCSc1nnc([nH]1)c2c(Cl)c(CC)nn2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F20 compound treatment 0.164 0.15237 0.7942 0.112 0.09173 0.5098 -0.048 -0.07038 -0.398 0.5231 0.5107 3082235 TimTec1_001890 Fc1ccc(cc1)C(=O)CCCSc2nc3ccc(Cl)cc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F21 compound treatment 0.153 0.14137 0.7369 -0.01 -0.03027 -0.1682 -0.18 -0.20238 -1.1445 -0.3325 -0.2424 1676324 TimTec1_001891 CC1=Nc2ccccc2N(CC(O)Cn3c4ccccc4c5ccccc35)C(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F22 compound treatment -0.095 -0.10663 -0.5558 -0.14 -0.16027 -0.8906 -0.07 -0.09238 -0.5224 -1.1367 -0.9694 3082237 TimTec1_001892 CSc1nc2CCCCCc2cc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F23 mock treatment 0.036 0.024374 0.127 0.013 -0.00727 -0.0404 0.112 0.08962 0.5068 0.3426 0.6538 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 F24 mock treatment -0.068 -0.079626 -0.415 -0.024 -0.04427 -0.246 0.02 -0.0023798 -0.0135 -0.3894 -0.8068 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G01 compound treatment 0.034 0.022374 0.1166 0.041 0.02073 0.1152 0.021 -0.0013798 -0.0078 0.1293 0.7881 3082238 TimTec1_001893 NC(=O)CSc1nc(ccc1C#N)c2ccncc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G02 compound treatment -0.06 -0.071626 -0.3733 -0.072 -0.09227 -0.5128 0.216 0.19362 1.095 0.1206 0.0953 3209366 TimTec1_001894 Ic1ccc(/C=C/2\SC(=N)NC2=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G03 compound treatment 0.157 0.14537 0.7577 -0.078 -0.09827 -0.5461 0.049 0.02662 0.1505 0.2091 0.221 3082240 TimTec1_001895 CN(Cc1cccs1)C(=S)SCc2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G04 compound treatment 0.072 0.060374 0.3147 -0.079 -0.09927 -0.5517 0.092 0.06962 0.3937 0.0905 0.1211 3209367 TimTec1_001896 NC(=O)Cn1nnc(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G05 compound treatment 0.034 0.022374 0.1166 -0.159 -0.17927 -0.9962 0.393 0.37062 2.0959 0.7022 0.3022 3209368 TimTec1_001897 OC(=O)c1ccccc1c2ccc(/C=N/N3C(=O)C4C5CC(C=C5)C4C3=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G06 compound treatment 0.097 0.085374 0.445 0.257 0.23673 1.3155 0.05 0.02762 0.1562 1.1066 0.7918 1473623 TimTec1_001898 CCCCC1(CC(=O)N2CCOCC2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G07 compound treatment 0.081 0.069374 0.3616 -0.056 -0.07627 -0.4238 0.025 0.0026202 0.0148 -0.0274 -0.0491 3209369 TimTec1_001899 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G08 compound treatment 0.052 0.040374 0.2104 0.018 -0.00227 -0.0126 0.133 0.11062 0.6256 0.4754 0.7201 1265525 TimTec1_001900 Cc1cc(=O)n2nc(nc2[nH]1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G09 compound treatment 1.559 1.5474 6.3718 0.138 0.11773 0.6542 0.277 0.25462 1.4399 4.8878 0.7445 3209370 TimTec1_001901 CC(C)C(O)(C(C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G10 compound treatment -0.166 -0.17763 -0.9258 -0.293 -0.31327 -1.7409 -0.255 -0.27738 -1.5686 -2.4453 -0.9705 3082244 TimTec1_001902 Sc1nnc(Cc2cccc3ccccc23)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G11 compound treatment -0.098 -0.10963 -0.5714 0.055 0.03473 0.193 0.098 0.07562 0.4276 0.0284 0.0385 3209371 TimTec1_001903 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3nc4ccc(Br)cc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G12 compound treatment 0.019 0.0073745 0.0384 0.141 0.12073 0.6709 0.037 0.01462 0.0827 0.4573 0.6754 1779185 TimTec1_001904 CC(C)OC(=O)C(C)Nc1n[nH]c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G13 compound treatment -0.068 -0.079626 -0.415 0.014 -0.00627 -0.0348 0.083 0.06062 0.3428 -0.0618 -0.1146 3082246 TimTec1_001905 Cc1cc(C)n(n1)C(=O)CSc2nc(C)c(C)cc2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G14 compound treatment -0.071 -0.082626 -0.4307 0.104 0.08373 0.4653 -0.174 -0.19638 -1.1106 -0.6212 -0.4858 1137282 TimTec1_001906 O=C(Nc1ccccc1)c2ccn(n2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G15 compound treatment 0.085 0.073374 0.3824 0.006 -0.01427 -0.0793 0.007 -0.01538 -0.087 0.1248 0.3119 3209372 TimTec1_001907 Cc1cc(NC(=O)C(F)(F)F)n(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G16 compound treatment -0.117 -0.12863 -0.6704 -0.093 -0.11327 -0.6295 0.02 -0.0023798 -0.0135 -0.7583 -0.8245 1200660 TimTec1_001908 CN(C1CCCCC1)C(=O)c2ccc(COc3ccc(C)c(C)c3)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G17 compound treatment 0.125 0.11337 0.5909 0.466 0.44573 2.477 0.139 0.11662 0.6595 2.152 0.8181 1113186 TimTec1_001909 Brc1ccc2noc(c3ccccc3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G18 compound treatment -0.006 -0.017626 -0.0919 0.034 0.01373 0.0763 0.025 0.0026202 0.0148 -4.0E-4 -0.0036 1294501 TimTec1_001910 CN(C(=O)c1ccc(COc2ccccc2Cl)o1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G19 compound treatment 0.2 0.18837 0.9819 -0.174 -0.19427 -1.0796 0.144 0.12162 0.6878 0.3407 0.2112 3209491 TimTec1_001911 COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCC4(C3C[C@@H]21)C(=O)Nc5ccccc54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G20 compound treatment 0.188 0.17637 0.9193 -0.024 -0.04427 -0.246 0.195 0.17262 0.9762 0.9523 0.6985 1332425 TimTec1_001912 Cc1nnc(SCc2ccc(cc2)C(=O)N3CCOCC3)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G21 compound treatment -0.022 -0.033626 -0.1753 -0.073 -0.09327 -0.5183 -0.09 -0.11238 -0.6355 -0.7674 -0.915 1920052 TimTec1_001913 OC(=O)/C=C/C(=O)NCc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G22 compound treatment -0.077 -0.088626 -0.4619 0.081 0.06073 0.3375 0.155 0.13262 0.75 0.3612 0.3829 1403707 TimTec1_001914 CC(C)(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G23 mock treatment 0.127 0.11537 0.6014 0.018 -0.00227 -0.0126 -0.056 -0.07838 -0.4433 0.084 0.1124 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 G24 mock treatment -0.043 -0.054626 -0.2847 0.024 0.00373 0.0207 0.067 0.04462 0.2523 -0.0067 -0.0177 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H01 compound treatment 0.029 0.017374 0.0906 0.062 0.04173 0.2319 -0.05 -0.07238 -0.4093 -0.0501 -0.1047 3209492 TimTec1_001915 CCOC(C)n1cccc1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H02 compound treatment -0.02 -0.031626 -0.1648 -0.033 -0.05327 -0.296 0.02 -0.0023798 -0.0135 -0.2739 -0.8076 1257360 TimTec1_001916 CC(C)Cc1nc(C#N)c(NCC=C)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H03 compound treatment -0.048 -0.059626 -0.3108 -0.213 -0.23327 -1.2963 -0.084 -0.10638 -0.6016 -1.2752 -0.8719 1616013 TimTec1_001917 Cc1ccc(cc1)S(=O)(=O)c2n[nH]c3ccc(Cl)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H04 compound treatment 0.145 0.13337 0.6952 0.063 0.04273 0.2375 0.481 0.45862 2.5936 2.0359 0.7553 1492803 TimTec1_001918 CC(C)OC(=O)C1=C(C)NC(=O)NC1C2CCC=CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H05 compound treatment 0.201 0.18937 0.9871 0.227 0.20673 1.1488 0.325 0.30262 1.7114 2.2212 0.9719 3082254 TimTec1_001919 NC(=N)NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H06 compound treatment 0.02 0.0083745 0.0436 -0.042 -0.06227 -0.346 -0.142 -0.16438 -0.9296 -0.7113 -0.7164 3209493 TimTec1_001920 FC(F)(F)c1cccc(NC(=O)Cn2ccc3ccccc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H07 compound treatment 0.019 0.0073745 0.0384 0.044 0.02373 0.1319 0.176 0.15362 0.8688 0.5999 0.6821 3082255 TimTec1_001921 CSc1nnc(C)c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H08 compound treatment 0.065 0.053374 0.2782 -0.007 -0.02727 -0.1515 0.393 0.37062 2.0959 1.2832 0.6054 1174278 TimTec1_001922 COc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H09 compound treatment 0.031 0.019374 0.101 0.124 0.10373 0.5764 0.056 0.03362 0.1901 0.5009 0.814 1288259 TimTec1_001923 Cn1nc(CC(=O)NN)c2ccccc2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H10 compound treatment 0.007 -0.0046255 -0.0241 -0.013 -0.03327 -0.1849 0.091 0.06862 0.3881 0.1034 0.2401 1396336 TimTec1_001924 COc1ccc(Cl)cc1C(=O)N2CCCC2C(=O)OCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H11 compound treatment 0.076 0.064374 0.3355 0.113 0.09273 0.5153 0.168 0.14562 0.8235 0.9667 0.9406 1259025 TimTec1_001925 COc1ccc(cc1)c2cc(nc(NC(=S)N)n2)c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H12 compound treatment -0.062 -0.073626 -0.3838 -0.042 -0.06227 -0.346 -0.121 -0.14338 -0.8108 -0.8895 -0.9251 3209494 TimTec1_001926 CSc1ccccc1C(=O)NCCOc2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H13 compound treatment -0.076 -0.087626 -0.4567 0.021 7.2998E-4 0.0041 0.007 -0.01538 -0.087 -0.3116 -0.6701 3082265 TimTec1_001927 O=C(OC1CSC1)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H14 compound treatment 0.081 0.069374 0.3616 0.046 0.02573 0.143 -0.062 -0.08438 -0.4772 0.0158 0.0257 1610378 TimTec1_001928 CCS(=O)(=O)Nc1ccc(Br)cn1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H15 compound treatment 0.029 0.017374 0.0906 0.005 -0.01527 -0.0849 0.268 0.24562 1.389 0.8052 0.5774 1433512 TimTec1_001929 COc1ccc2cc(C3SC(C)C(=O)N3C4CCCO4)c(Cl)nc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H16 compound treatment -0.006 -0.017626 -0.0919 0.15 0.12973 0.7209 0.442 0.41962 2.373 1.7333 0.6984 1347404 TimTec1_001930 CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(C1=O)C3(CCCCC3)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H17 compound treatment -0.147 -0.15863 -0.8268 -0.032 -0.05227 -0.2905 -0.115 -0.13738 -0.7769 -1.0936 -0.9338 1631720 TimTec1_001931 Cc1ccc(cc1)C2C=C(NC(=O)C2C#N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H18 compound treatment 0.155 0.14337 0.7473 0.012 -0.00827 -0.046 0.196 0.17362 0.9819 0.9718 0.787 3082269 TimTec1_001932 CS(=O)(=O)c1nc(n[nH]1)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H19 compound treatment 0.09 0.078374 0.4085 0.053 0.03273 0.1819 0.087 0.06462 0.3654 0.5518 0.9556 1458072 TimTec1_001933 C1OC(OCc2nonc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H20 compound treatment 0.127 0.11537 0.6014 0.287 0.26673 1.4823 0.162 0.13962 0.7896 1.6588 0.9299 1288232 TimTec1_001934 CC(=C)CC(N)(CC(=C)C)c1ccncc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H21 compound treatment 0.032 0.020374 0.1062 0.044 0.02373 0.1319 0.012 -0.01038 -0.0587 0.1036 0.5779 1301124 TimTec1_001935 CSc1nsc(SC)c1NC(=O)OCC2CCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H22 compound treatment 0.0 -0.011626 -0.0606 0.092 0.07173 0.3986 0.007 -0.01538 -0.087 0.1449 0.3514 3209495 TimTec1_001936 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H23 mock treatment 0.142 0.13037 0.6795 -0.012 -0.03227 -0.1793 -0.013 -0.03538 -0.2001 0.1733 0.2371 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 H24 mock treatment 0.09 0.078374 0.4085 0.036 0.01573 0.0874 0.013 -0.0093798 -0.053 0.2557 0.6072 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I01 compound treatment -0.007 -0.018626 -0.0971 0.086 0.06573 0.3653 0.099 0.07662 0.4333 0.405 0.7044 1268779 TimTec1_001937 Cc1ccc2c(N)c(sc2n1)C(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I02 compound treatment 0.127 0.11537 0.6014 0.034 0.01373 0.0763 0.0 -0.02238 -0.1266 0.3182 0.5138 3209496 TimTec1_001938 Nc1sc(=S)n(c1c2nc3ccccc3s2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I03 compound treatment 0.092 0.080374 0.4189 0.092 0.07173 0.3986 -0.014 -0.03638 -0.2057 0.3532 0.5755 1735247 TimTec1_001939 Cc1ccc(cc1)N(c2ccc(C)cc2)c3cccnc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I04 compound treatment 0.287 0.27537 1.4353 0.077 0.05673 0.3153 0.299 0.27662 1.5643 1.9139 0.8917 1463202 TimTec1_001940 S=c1oc2ccccc2n1Cn3c(=S)oc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I05 compound treatment 0.006 -0.0056255 -0.0293 -0.077 -0.09727 -0.5405 0.018 -0.0043798 -0.0248 -0.3433 -0.6335 1128826 TimTec1_001941 Cc1ccc(cc1C)N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I06 compound treatment 0.037 0.025374 0.1323 -0.159 -0.17927 -0.9962 0.018 -0.0043798 -0.0248 -0.5131 -0.5104 1310569 TimTec1_001942 O=C(CSc1nc2ccccc2nc1SCC(=O)N3CCCCC3)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I07 compound treatment 0.088 0.076374 0.3981 0.02 -2.7002E-4 -0.0015 0.013 -0.0093798 -0.053 0.1983 0.4939 1383182 TimTec1_001943 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I08 compound treatment 0.205 0.19337 1.0079 0.311 0.29073 1.6156 0.222 0.19962 1.1289 2.1665 0.9787 1574289 TimTec1_001944 CC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I09 compound treatment 0.657 0.64537 3.3638 0.539 0.51873 2.8827 0.288 0.26562 1.5021 4.4737 0.9564 3209497 TimTec1_001945 COC(C)C(O)(C(C)C)C(=O)OC1=CCN2CC[C@H](O)[C@H]21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I10 compound treatment 0.104 0.092374 0.4815 0.204 0.18373 1.021 0.133 0.11062 0.6256 1.2286 0.952 1160311 TimTec1_001946 Cc1ccc(o1)C(=O)CSC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I11 compound treatment 0.142 0.13037 0.6795 0.169 0.14873 0.8265 0.072 0.04962 0.2806 1.0315 0.9325 1681019 TimTec1_001947 S=C(NC1CCCCC1)N2CCN(Cc3ccc4OCOc4c3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I12 compound treatment 0.0 -0.011626 -0.0606 -0.099 -0.11927 -0.6628 -0.071 -0.09338 -0.5281 -0.7225 -0.8504 1315095 TimTec1_001948 Cc1nnc(NCCc2ccccc2)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I13 compound treatment -0.029 -0.040626 -0.2117 -0.007 -0.02727 -0.1515 0.039 0.01662 0.094 -0.1555 -0.5616 3209498 TimTec1_001949 CC1CCc2c(C#N)c(NC(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccccc5)sc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I14 compound treatment 0.068 0.056374 0.2938 0.12 0.09973 0.5542 -0.052 -0.07438 -0.4206 0.2468 0.3267 1544670 TimTec1_001950 CCOc1ccc(cc1)c2nc3ccc(Br)cc3c(C(=O)O)c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I15 compound treatment -0.053 -0.064626 -0.3368 0.014 -0.00627 -0.0348 -0.077 -0.09938 -0.562 -0.5391 -0.8216 3209499 TimTec1_001951 Oc1ccc(cc1)c2nc3sc(nc3s2)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I16 compound treatment -0.092 -0.10363 -0.5401 0.419 0.39873 2.2158 0.056 0.03362 0.1901 1.0772 0.4707 1375855 TimTec1_001952 Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)NC3CCCC3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I17 compound treatment -0.167 -0.17863 -0.931 0.043 0.02273 0.1263 0.0 -0.02238 -0.1266 -0.5377 -0.5671 1710780 TimTec1_001953 Cc1ccc(cc1)C(=O)OCC2OC3C(Oc4c(C)c(=O)ncn34)C2OC(=O)c5ccc(C)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I18 compound treatment -0.025 -0.036626 -0.1909 0.013 -0.00727 -0.0404 -0.184 -0.20638 -1.1671 -0.8074 -0.6823 1488850 TimTec1_001954 CC(C)c1ccc(OCc2ccc(o2)C(=O)N(C)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I19 compound treatment 0.047 0.035374 0.1844 -0.026 -0.04627 -0.2571 0.123 0.10062 0.569 0.2865 0.4401 3082282 TimTec1_001955 c1ccc(cc1)c2ccnc(c2)c3cc(ccn3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I20 compound treatment -0.103 -0.11463 -0.5975 0.273 0.25273 1.4045 -0.098 -0.12038 -0.6808 0.0729 0.0436 3209500 TimTec1_001956 O=S(=O)(c1ccsc1)c2ccsc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I21 compound treatment -0.076 -0.087626 -0.4567 0.006 -0.01427 -0.0793 -0.103 -0.12538 -0.709 -0.7188 -0.8486 1577514 TimTec1_001957 CC1Oc2ccccc2C(=O)N1c3ccc(OC=C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I22 compound treatment 0.135 0.12337 0.6431 0.013 -0.00727 -0.0404 -0.057 -0.07938 -0.4489 0.0888 0.113 1686206 TimTec1_001958 CC(C)(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I23 mock treatment 0.175 0.16337 0.8515 -0.074 -0.09427 -0.5239 -0.007 -0.02938 -0.1661 0.0933 0.092 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 I24 mock treatment -0.06 -0.071626 -0.3733 0.134 0.11373 0.632 0.007 -0.01538 -0.087 0.0991 0.1341 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J01 compound treatment -0.033 -0.044626 -0.2326 -0.055 -0.07527 -0.4183 -0.155 -0.17738 -1.0031 -0.9549 -0.8592 3082285 TimTec1_001959 CC(C)OC(C)n1cccc1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J02 compound treatment 0.021 0.0093745 0.0489 0.062 0.04173 0.2319 -0.007 -0.02938 -0.1661 0.0662 0.2286 1308224 TimTec1_001960 Cc1c(oc2ccccc12)C(=O)Nc3ccc4ccccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J03 compound treatment -0.014 -0.025626 -0.1336 -0.064 -0.08427 -0.4683 0.083 0.06062 0.3428 -0.1496 -0.2511 1495070 TimTec1_001961 COc1ccccc1NCC(=O)n2nc(cc2c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J04 compound treatment -0.025 -0.036626 -0.1909 -0.064 -0.08427 -0.4683 0.072 0.04962 0.2806 -0.2186 -0.3779 3209501 TimTec1_001962 Cc1ccc(cc1)S(=O)(=O)/C(=C/C2=Cc3ccccc3OC2)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J05 compound treatment 0.132 0.12037 0.6274 0.054 0.03373 0.1874 0.09 0.06762 0.3824 0.6912 0.9116 3082288 TimTec1_001963 Oc1cccc(/C=N/c2ccccc2C#N)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J06 compound treatment -0.378 -0.38963 -2.0308 0.073 0.05273 0.293 0.032 0.0096202 0.0544 -0.9719 -0.4735 1558299 TimTec1_001964 CCOc1ccc(NC(=O)CN2CCCc3ccccc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J07 compound treatment 0.038 0.026374 0.1375 -0.127 -0.14727 -0.8184 0.121 0.09862 0.5577 -0.0711 -0.0711 1170983 TimTec1_001965 COC(=O)C(NC(=O)Nc1ccccc1)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J08 compound treatment -0.012 -0.023626 -0.1231 -0.047 -0.06727 -0.3738 -0.201 -0.22338 -1.2633 -1.0163 -0.7681 1183270 TimTec1_001966 CC(C)CC(=O)Nc1cccc(c1)c2nc3cc(C)ccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J09 compound treatment -0.106 -0.11763 -0.6131 -0.24 -0.26027 -1.4464 -0.133 -0.15538 -0.8787 -1.6963 -0.9424 1047437 TimTec1_001967 CC(C(=O)O)(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J10 compound treatment -0.065 -0.076626 -0.3994 0.089 0.06873 0.3819 0.084 0.06162 0.3485 0.1911 0.2925 3209502 TimTec1_001968 CN1C(=O)/C(=C(/C#N)\C(=O)N)/c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J11 compound treatment 0.071 0.059374 0.3095 0.037 0.01673 0.093 0.04 0.01762 0.0996 0.2899 0.8573 3082292 TimTec1_001969 CC1(O)CCOCC1NC(Cc2cc3ccccc3[nH]2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J12 compound treatment 0.057 0.045374 0.2365 0.0 -0.02027 -0.1126 -0.013 -0.03538 -0.2001 -0.044 -0.1335 3209503 TimTec1_001970 CN1C(=O)C2C=CC=CC2N=C1SCC(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J13 compound treatment -0.158 -0.16963 -0.8841 -0.152 -0.17227 -0.9573 -0.121 -0.14338 -0.8108 -1.5313 -0.9977 1534000 TimTec1_001971 O=C(c1nnn2CC(=O)OC3(CCCCC3)c12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J14 compound treatment -0.007 -0.018626 -0.0971 4.053 4.0327 9.2752 -0.065 -0.08738 -0.4941 5.0137 0.5398 3082295 TimTec1_001972 O=C(CSCc1ccccc1)Nc2ccccc2C(=O)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J15 compound treatment 0.006 -0.0056255 -0.0293 -0.042 -0.06227 -0.346 0.213 0.19062 1.078 0.4057 0.3582 3209618 TimTec1_001973 OC(=O)CC(S/C(=N/C1CCCC=C1)/N2CCCCC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J16 compound treatment -0.152 -0.16363 -0.8529 -0.086 -0.10627 -0.5906 -0.093 -0.11538 -0.6525 -1.2101 -0.9874 3209619 TimTec1_001974 CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccc[nH]2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J17 compound treatment -0.148 -0.15963 -0.832 0.257 0.23673 1.3155 -0.065 -0.08738 -0.4941 -0.0061 -0.0038 3082297 TimTec1_001975 O=C(N/C(=C\c1cccnc1)/C(=O)N2CCCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J18 compound treatment -0.464 -0.47563 -2.4791 -0.047 -0.06727 -0.3738 0.163 0.14062 0.7952 -1.188 -0.4517 1185980 TimTec1_001976 COc1cc(CNC(=O)c2ccccc2SC)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J19 compound treatment -0.011 -0.022626 -0.1179 -0.019 -0.03927 -0.2182 -0.181 -0.20338 -1.1502 -0.8581 -0.7293 3082299 TimTec1_001977 c1coc(c1)c2cc(on2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J20 compound treatment 0.151 0.13937 0.7265 0.006 -0.01427 -0.0793 -0.041 -0.06338 -0.3584 0.1667 0.2048 3209620 TimTec1_001978 FC(F)(F)C(=O)Nc1sc2CCCCc2c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J21 compound treatment -0.043 -0.054626 -0.2847 0.165 0.14473 0.8043 0.24 0.21762 1.2307 1.0105 0.6748 1168141 TimTec1_001979 Cc1cc(C)c(C#N)c(SCCN2CCCCC2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J22 compound treatment 0.033 0.021374 0.1114 -0.282 -0.30227 -1.6798 -0.384 -0.40638 -2.2982 -2.2323 -0.7836 1235345 TimTec1_001980 O=C(NCCC1=CCCCC1)C(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J23 mock treatment 0.005 -0.0066255 -0.0345 -0.018 -0.03827 -0.2127 0.11 0.08762 0.4955 0.1434 0.2653 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 J24 mock treatment 0.037 0.025374 0.1323 0.024 0.00373 0.0207 -0.018 -0.04038 -0.2284 -0.0435 -0.1644 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K01 compound treatment -0.145 -0.15663 -0.8164 0.027 0.00673 0.0374 -0.007 -0.02938 -0.1661 -0.5457 -0.6543 3209621 TimTec1_001981 Cc1nc2ccc(cc2n1CCc3ccccc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K02 compound treatment -0.151 -0.16263 -0.8476 -0.007 -0.02727 -0.1515 -0.014 -0.03638 -0.2057 -0.6957 -0.7858 3082327 TimTec1_001982 Cc1ccc2nc(NC(=O)OC(C)(C)C)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K03 compound treatment 0.067 0.055374 0.2886 -0.025 -0.04527 -0.2516 0.077 0.05462 0.3089 0.1997 0.406 1449100 TimTec1_001983 C[N+]1(Cc2ccccc2)CCCC1c3ccc(N)nc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K04 compound treatment -0.171 -0.18263 -0.9519 0.0 -0.02027 -0.1126 0.112 0.08962 0.5068 -0.322 -0.297 3082329 TimTec1_001984 CC(=O)On1cc(F)c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K05 compound treatment 0.057 0.045374 0.2365 0.029 0.00873 0.0485 0.102 0.07962 0.4503 0.4245 0.8309 1405621 TimTec1_001985 Cc1cc2ccc(=O)oc2cc1OC[C@@H](O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K06 compound treatment 0.012 3.7448E-4 0.002 0.047 0.02673 0.1485 -0.019 -0.04138 -0.234 -0.0482 -0.174 3082331 TimTec1_001986 Cn1c(S)ncc1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K07 compound treatment -0.091 -0.10263 -0.5349 -0.047 -0.06727 -0.3738 -0.123 -0.14538 -0.8221 -0.9993 -0.952 1398791 TimTec1_001987 CNCC(O)c1cccc(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K08 compound treatment 0.023 0.011374 0.0593 -0.074 -0.09427 -0.5239 0.076 0.05362 0.3032 -0.0932 -0.1532 3209623 TimTec1_001988 COc1ccc(cc1)C2NN(CN3CCOCC3)C(=S)N2Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K09 compound treatment 0.006 -0.0056255 -0.0293 -0.077 -0.09727 -0.5405 0.105 0.08262 0.4672 -0.0593 -0.0829 1115322 TimTec1_001989 COc1ccn(C)c(=O)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K10 compound treatment 0.158 0.14637 0.7629 0.101 0.08073 0.4486 0.132 0.10962 0.6199 1.0574 0.9786 3082334 TimTec1_001990 CC1=C(C)N(N=C(S)S1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K11 compound treatment 0.136 0.12437 0.6483 0.13 0.10973 0.6098 0.139 0.11662 0.6595 1.1071 0.9994 3209624 TimTec1_001991 O=C(C1CCCO1)N2CCN(C/C=C/c3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K12 compound treatment 0.583 0.57137 2.9781 0.378 0.35773 1.988 0.392 0.36962 2.0903 4.074 0.9826 3082336 TimTec1_001992 CN(C)CCNc1nc(=O)[nH]nc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K13 compound treatment -0.019 -0.030626 -0.1596 0.034 0.01373 0.0763 0.026 0.0036202 0.0205 -0.0363 -0.2038 1514990 TimTec1_001993 Clc1ccc(cc1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K14 compound treatment 0.046 0.034374 0.1792 -0.014 -0.03427 -0.1904 0.0 -0.02238 -0.1266 -0.0796 -0.2739 3082338 TimTec1_001994 O/C=C\1/C(=O)NC(=O)N(C1=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K15 compound treatment -0.036 -0.047626 -0.2482 -0.077 -0.09727 -0.5405 0.161 0.13862 0.7839 -0.0028 -0.0029 1598606 TimTec1_001995 CC(=O)Nc1nonc1NC2=CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K16 compound treatment 0.0 -0.011626 -0.0606 -0.101 -0.12127 -0.6739 0.081 0.05862 0.3315 -0.2327 -0.3088 1221200 TimTec1_001996 CC(C)CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K17 compound treatment 0.079 0.067374 0.3512 -0.029 -0.04927 -0.2738 0.014 -0.0083798 -0.0474 0.0173 0.0387 3209625 TimTec1_001997 CC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K18 compound treatment -0.06 -0.071626 -0.3733 -0.025 -0.04527 -0.2516 -0.031 -0.05338 -0.3019 -0.5351 -0.9872 1148960 TimTec1_001998 CCc1ccc(cc1)c2cc(C(=O)OC)c3ccccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K19 compound treatment 0.044 0.032374 0.1687 -0.006 -0.02627 -0.146 0.14 0.11762 0.6652 0.3972 0.5661 3209626 TimTec1_001999 O=C(ON1C(=O)CCC1=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K20 compound treatment 0.055 0.043374 0.2261 -0.006 -0.02627 -0.146 0.152 0.12962 0.733 0.4695 0.6012 3082343 TimTec1_002000 CCOC(=O)CSc1nc(C)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K21 compound treatment 0.059 0.047374 0.2469 0.12 0.09973 0.5542 0.1 0.07762 0.439 0.716 0.9561 3209627 TimTec1_002001 CC(NC(C(=O)O)c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K22 compound treatment -0.012 -0.023626 -0.1231 -0.064 -0.08427 -0.4683 0.078 0.05562 0.3145 -0.1599 -0.2769 1544248 TimTec1_002002 COc1cccc(NC(=O)COC(=O)C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K23 mock treatment 0.058 0.046374 0.2417 -0.006 -0.02627 -0.146 0.087 0.06462 0.3654 0.2663 0.5765 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 K24 mock treatment 0.017 0.0053745 0.028 -0.042 -0.06227 -0.346 -0.137 -0.15938 -0.9013 -0.704 -0.7289 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L01 compound treatment -0.021 -0.032626 -0.1701 0.097 0.07673 0.4264 -0.099 -0.12138 -0.6864 -0.2483 -0.3007 3209628 TimTec1_002003 CC(C)(O)/C(=C/C#N)/n1cccn1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L02 compound treatment -0.007 -0.018626 -0.0971 -0.187 -0.20727 -1.1518 0.117 0.09462 0.5351 -0.4121 -0.3235 3209629 TimTec1_002004 COc1ccc(OCC(=O)Sc2ccc(Cl)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L03 compound treatment 0.163 0.15137 0.789 0.142 0.12173 0.6765 0.21 0.18762 1.061 1.4587 0.9821 3082347 TimTec1_002005 O=C(/C=C/c1ccccc1)N2CCN(Cc3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L04 compound treatment 0.006 -0.0056255 -0.0293 0.056 0.03573 0.1986 0.032 0.0096202 0.0544 0.1291 0.6209 1118669 TimTec1_002006 COc1cccc(c1)C(CC(=O)c2ccc(Cl)cc2)C(C#N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L05 compound treatment -0.167 -0.17863 -0.931 -0.116 -0.13627 -0.7573 -0.166 -0.18838 -1.0653 -1.5898 -0.9907 3082349 TimTec1_002007 CC(C)OC(=O)C(C)/N=C/c1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L06 compound treatment 0.132 0.12037 0.6274 0.037 0.01673 0.093 0.018 -0.0043798 -0.0248 0.4016 0.6327 3209630 TimTec1_002008 Clc1ccc(SC(CC(=O)C2CC2)c3ccc(Cl)cc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L07 compound treatment 0.057 0.045374 0.2365 -0.026 -0.04627 -0.2571 -0.105 -0.12738 -0.7204 -0.4278 -0.5344 1021708 TimTec1_002009 c1ccc(cc1)c2nc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L08 compound treatment 0.34 0.32837 1.7116 0.29 0.26973 1.4989 0.39 0.36762 2.079 3.0539 0.9909 3209631 TimTec1_002010 COC(=O)c1c(N/C=C/2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)sc4CCCCc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L09 compound treatment 0.102 0.090374 0.4711 -0.091 -0.11127 -0.6183 0.058 0.03562 0.2014 0.0313 0.0389 1168270 TimTec1_002011 CCN(CC)c1ncn(Cc2c(Cl)cccc2Cl)c3ncnc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L10 compound treatment 0.127 0.11537 0.6014 0.307 0.28673 1.5934 0.3 0.27762 1.57 2.1736 0.9384 3209632 TimTec1_002012 COc1ccccc1OCCNC(=O)c2ccc(cc2)S(=O)(=O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L11 compound treatment 0.036 0.024374 0.127 0.037 0.01673 0.093 -0.027 -0.04938 -0.2793 -0.0342 -0.1067 3082356 TimTec1_002013 OCC/N=C(/N1CCN(CC1)\C(=N\CCO)\c2ccc(Cl)cc2)\c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L12 compound treatment 0.07 0.058374 0.3043 0.024 0.00373 0.0207 -0.051 -0.07338 -0.415 -0.052 -0.1009 1733839 TimTec1_002014 Cn1c(SCc2ccoc2C(=O)O)nnc1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L13 compound treatment -0.02 -0.031626 -0.1648 0.052 0.03173 0.1763 -0.093 -0.11538 -0.6525 -0.3701 -0.532 1368186 TimTec1_002015 NC(=O)CC(=O)c1c(O)c2ccccc2n(c3ccccc3)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L14 compound treatment -0.094 -0.10563 -0.5505 -0.12 -0.14027 -0.7795 0.13 0.10762 0.6086 -0.4165 -0.368 3082357 TimTec1_002016 Fc1ccccc1OCCNC(=O)c2ccccc2Nc3cccc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L15 compound treatment -0.017 -0.028626 -0.1492 0.163 0.14273 0.7932 -0.061 -0.08338 -0.4715 0.0996 0.1065 3209633 TimTec1_002017 NC(=O)/C(=C/c1ccc(Cl)cc1)/NC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L16 compound treatment 0.02 0.0083745 0.0436 0.081 0.06073 0.3375 0.159 0.13662 0.7726 0.6661 0.789 1533648 TimTec1_002018 CC(NC(=O)CSc1nn(c2ccccc2)c(=S)s1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L17 compound treatment -0.131 -0.14263 -0.7434 0.396 0.37573 2.088 0.371 0.34862 1.9715 1.9146 0.6454 3082358 TimTec1_002019 Oc1ccc(/C=C\2/NC(=S)Nc3[nH]\c(=N\c4ccccc4)\sc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L18 compound treatment -0.018 -0.029626 -0.1544 -0.031 -0.05127 -0.2849 -0.05 -0.07238 -0.4093 -0.49 -0.9385 3209634 TimTec1_002020 CN1C(=O)C2C=CC=CC2N=C1SCc3ccccc3F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L19 compound treatment -0.123 -0.13463 -0.7017 0.031 0.01073 0.0596 0.219 0.19662 1.1119 0.2713 0.2061 3082359 TimTec1_002021 CN(C)c1ccc(cc1)n2c(C)cc(/C=N/c3ccc(O)c(c3)C(=O)O)c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L20 compound treatment 0.0 -0.011626 -0.0606 0.565 0.54473 3.0272 0.099 0.07662 0.4333 1.9629 0.6418 3209635 TimTec1_002022 OC(=O)/C=C/C(=O)N1CCc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L21 compound treatment -0.119 -0.13063 -0.6809 -0.033 -0.05327 -0.296 0.16 0.13762 0.7783 -0.1147 -0.1066 3082361 TimTec1_002023 Fc1ccc(/C=c\2/sc3=NCCn3c2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L22 compound treatment -0.013 -0.024626 -0.1284 0.135 0.11473 0.6376 0.199 0.17662 0.9988 0.8707 0.7305 1356390 TimTec1_002024 Cc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L23 mock treatment -0.124 -0.13563 -0.7069 0.039 0.01873 0.1041 0.007 -0.01538 -0.087 -0.3983 -0.5533 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 L24 mock treatment -0.055 -0.066626 -0.3473 0.098 0.07773 0.432 0.083 0.06062 0.3428 0.2468 0.3787 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M01 compound treatment 0.021 0.0093745 0.0489 -0.007 -0.02727 -0.1515 0.094 0.07162 0.405 0.1746 0.4011 1265733 TimTec1_002025 CCOC(=O)c1c(C)c(sc1N)C(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M02 compound treatment 0.027 0.015374 0.0801 0.0 -0.02027 -0.1126 -0.033 -0.05538 -0.3132 -0.1996 -0.583 3209636 TimTec1_002026 Oc1ccc(/C=C/2\SC(=N)NC2=O)cc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M03 compound treatment 0.213 0.20137 1.0496 0.007 -0.01327 -0.0737 0.092 0.06962 0.3937 0.7907 0.7038 3082390 TimTec1_002027 Cc1ccc(NC(=O)OC(C)(C)C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M04 compound treatment -0.022 -0.033626 -0.1753 -0.007 -0.02727 -0.1515 -0.067 -0.08938 -0.5055 -0.4805 -0.8642 3209637 TimTec1_002028 COc1ccc(CC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M05 compound treatment 0.053 0.041374 0.2157 0.071 0.05073 0.2819 -0.06 -0.08238 -0.4659 0.0183 0.0312 3082392 TimTec1_002029 CC(=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c3ccccc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M06 compound treatment -0.302 -0.31363 -1.6347 -0.086 -0.10627 -0.5906 0.171 0.14862 0.8405 -0.7995 -0.4141 3209638 TimTec1_002030 CN(C)C(=O)CSc1nnc(o1)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M07 compound treatment 0.078 0.066374 0.346 -0.103 -0.12327 -0.685 -0.007 -0.02938 -0.1661 -0.2917 -0.3715 1286462 TimTec1_002031 CN1C2N=CN(CCCO)C2C(=O)N(C)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M08 compound treatment -0.152 -0.16363 -0.8529 0.019 -0.00127 -0.0071 0.169 0.14662 0.8292 -0.0178 -0.0149 1699709 TimTec1_002032 COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3C)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M09 compound treatment 0.139 0.12737 0.6639 -0.024 -0.04427 -0.246 0.025 0.0026202 0.0148 0.2498 0.3528 1409515 TimTec1_002033 CC(=O)Oc1ccn(C)c(=O)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M10 compound treatment -0.057 -0.068626 -0.3577 -0.044 -0.06427 -0.3572 -0.006 -0.02838 -0.1605 -0.5054 -0.9529 1211785 TimTec1_002034 CC1(C)Oc2ccc(NC(=O)C3(CCCC3)c4ccccc4)cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M11 compound treatment -0.021 -0.032626 -0.1701 -0.022 -0.04227 -0.2349 0.0 -0.02238 -0.1266 -0.3069 -0.9699 1344646 TimTec1_002035 Cc1occc1C(=O)Nc2ccc(F)c(F)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M12 compound treatment 0.15 0.13837 0.7212 0.151 0.13073 0.7265 0.243 0.22062 1.2476 1.5562 0.9642 1915457 TimTec1_002036 O=c1[nH]nc(SCc2ccccc2)c(=S)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M13 compound treatment 0.014 0.0023745 0.0124 0.022 0.00173 0.0096 0.034 0.01162 0.0657 0.0506 0.7495 1068232 TimTec1_002037 COC(=O)Nc1c(C)cc(C)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M14 compound treatment 0.007 -0.0046255 -0.0241 -0.054 -0.07427 -0.4127 0.042 0.01962 0.111 -0.1881 -0.4395 1147050 TimTec1_002038 Clc1ccc(OCc2ccc(o2)C(=O)NC3CCOC3=O)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M15 compound treatment -0.032 -0.043626 -0.2274 0.109 0.08873 0.4931 -0.045 -0.06738 -0.381 -0.0666 -0.1004 1216899 TimTec1_002039 Clc1ccccc1C(=O)c2cc(Br)ccc2NC(=O)CSC3=NCCS3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M16 compound treatment 0.0 -0.011626 -0.0606 0.09 0.06973 0.3875 0.144 0.12162 0.6878 0.5858 0.7399 1413128 TimTec1_002040 CCCc1ccc(OCc2ccc(o2)C(=O)NCc3cccnc3)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M17 compound treatment 0.039 0.027374 0.1427 -0.059 -0.07927 -0.4405 0.133 0.11062 0.6256 0.1892 0.2431 3082399 TimTec1_002041 CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M18 compound treatment -0.029 -0.040626 -0.2117 -0.051 -0.07127 -0.3961 0.268 0.24562 1.389 0.451 0.309 1538207 TimTec1_002042 O=C(COC(=O)c1c2CCCCc2nc3ccccc13)Nc4nc5ccccc5s4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M19 compound treatment -0.072 -0.083626 -0.4359 -0.026 -0.04627 -0.2571 0.082 0.05962 0.3372 -0.2054 -0.3378 1322184 TimTec1_002043 CCOc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M20 compound treatment -0.068 -0.079626 -0.415 0.056 0.03573 0.1986 -0.24 -0.26238 -1.4838 -0.9817 -0.6319 3209758 TimTec1_002044 CN(Cc1cccs1)C(=S)SCCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M21 compound treatment 0.044 0.032374 0.1687 0.094 0.07373 0.4097 0.129 0.10662 0.603 0.6821 0.9116 1690142 TimTec1_002045 CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M22 compound treatment 0.358 0.34637 1.8054 0.21 0.18973 1.0544 0.493 0.47062 2.6614 3.1877 0.9419 3082402 TimTec1_002046 CC(=O)OCC(=O)Nc1cccc(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M23 mock treatment 0.06 0.048374 0.2521 0.072 0.05173 0.2875 -0.041 -0.06338 -0.3584 0.1046 0.1996 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 M24 mock treatment -0.015 -0.026626 -0.1388 -0.03 -0.05027 -0.2794 -0.046 -0.06838 -0.3867 -0.4647 -0.9353 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N01 compound treatment -0.093 -0.10463 -0.5453 -0.188 -0.20827 -1.1574 -0.098 -0.12038 -0.6808 -1.3761 -0.9495 3209759 TimTec1_002047 Nc1nc(cc(=S)s1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N02 compound treatment 0.063 0.051374 0.2678 -0.086 -0.10627 -0.5906 -0.039 -0.06138 -0.3471 -0.3868 -0.5259 1028245 TimTec1_002048 Clc1ccc(SC(=O)c2ccco2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N03 compound treatment 0.354 0.34237 1.7845 0.266 0.24573 1.3656 0.012 -0.01038 -0.0587 1.7848 0.794 1713032 TimTec1_002049 COC(=O)c1ccccc1NC(=O)Cc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N04 compound treatment 0.11 0.098374 0.5128 -0.08 -0.10027 -0.5572 -0.054 -0.07638 -0.4319 -0.2751 -0.3155 3083578 TimTec1_002050 Brc1ccc(cc1)C(C#N)C(CC#N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N05 compound treatment -0.126 -0.13763 -0.7173 -0.073 -0.09327 -0.5183 0.052 0.02962 0.1675 -0.6167 -0.6847 3209760 TimTec1_002051 OC(=O)/C=C/C(=O)N1CCN(CC1)C(=O)\C=C\C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N06 compound treatment -0.58 -0.59163 -3.0837 -0.041 -0.06127 -0.3405 -0.163 -0.18538 -1.0484 -2.5822 -0.7885 3209761 TimTec1_002052 CCc1ccc(/C=C/2\CN(C)C/C(=C\c3ccc(CC)cc3)/C2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N07 compound treatment -0.067 -0.078626 -0.4098 -0.118 -0.13827 -0.7684 0.113 0.09062 0.5125 -0.3844 -0.3804 1389451 TimTec1_002053 Nc1ccc2c(c1)nc(c3ccccc3)c4cc(N)ccc42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N08 compound treatment -0.117 -0.12863 -0.6704 0.096 0.07573 0.4208 -0.037 -0.05938 -0.3358 -0.338 -0.3931 3209762 TimTec1_002054 Fc1ccc(cc1)N2C(=O)NC(=O)/C(=C\Nc3ccccc3)/C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N09 compound treatment 0.19 0.17837 0.9297 -0.023 -0.04327 -0.2405 0.006 -0.01638 -0.0926 0.3445 0.357 1139527 TimTec1_002055 OC(=O)c1ccc(cc1)N2Cc3ccc(Br)cc3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N10 compound treatment -0.188 -0.19963 -1.0405 0.228 0.20773 1.1544 0.144 0.12162 0.6878 0.4628 0.2723 1168036 TimTec1_002056 Cn1c(=S)n(CN2CCC3(CC2)OCCO3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N11 compound treatment -0.027 -0.038626 -0.2013 0.211 0.19073 1.0599 0.013 -0.0093798 -0.053 0.4651 0.4306 1535531 TimTec1_002057 COC1CC2C(C(OC2=O)C(=O)O)C(OC)C1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N12 compound treatment -0.071 -0.082626 -0.4307 -0.012 -0.03227 -0.1793 -0.088 -0.11038 -0.6242 -0.7126 -0.9144 1408618 TimTec1_002058 CCS(=O)(=O)N(CC(=O)O)c1ccc(OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N13 compound treatment -0.068 -0.079626 -0.415 -0.011 -0.03127 -0.1738 -0.187 -0.20938 -1.1841 -1.0236 -0.8081 1306524 TimTec1_002059 CCOC(=O)CSC1C(=O)Nc2ccccc2N=C1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N14 compound treatment -0.144 -0.15563 -0.8112 -0.121 -0.14127 -0.7851 -0.095 -0.11738 -0.6638 -1.3048 -0.9964 1728948 TimTec1_002060 CCOC(=O)NC1c2ccccc2Sc3ccc(Cl)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N15 compound treatment -0.038 -0.049626 -0.2587 0.033 0.01273 0.0707 0.1 0.07762 0.439 0.1449 0.2818 1597862 TimTec1_002061 Oc1ccc(=O)n(CNc2nccs2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N16 compound treatment -0.135 -0.14663 -0.7642 -0.089 -0.10927 -0.6072 -0.162 -0.18438 -1.0427 -1.3938 -0.9759 3209763 TimTec1_002062 COc1ccc(cc1)c2n[nH]c(SCC(=O)N(C3CCCCC3)C4CCCCC4)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N17 compound treatment -0.057 -0.068626 -0.3577 -0.095 -0.11527 -0.6406 0.065 0.04262 0.241 -0.4372 -0.5661 3209764 TimTec1_002063 Cc1ccc(cc1)C2=CC(SC(=N)N2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N18 compound treatment -0.36 -0.37163 -1.937 -0.196 -0.21627 -1.2018 -0.164 -0.18638 -1.054 -2.4207 -0.9639 3083579 TimTec1_002064 Fc1ccc(CSc2ccccc2C(=O)NCc3ccco3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N19 compound treatment 0.693 0.68137 3.5515 -0.082 -0.10227 -0.5683 0.652 0.62962 3.5606 3.778 0.7465 3209765 TimTec1_002065 NC1=Nn2c(nnc2SC3(C1C#N)C(=O)Nc4ccccc43)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N20 compound treatment 0.0 -0.011626 -0.0606 -0.061 -0.08127 -0.4516 0.038 0.01562 0.0883 -0.2447 -0.5273 1495217 TimTec1_002066 CC(=C)CC1NC2CC(C)(C)C1c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N21 compound treatment 0.019 0.0073745 0.0384 0.024 0.00373 0.0207 -0.012 -0.03438 -0.1944 -0.0781 -0.3919 1163918 TimTec1_002067 COc1ccc(c(O)c1)c2nc(N)ncc2c3cscn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N22 compound treatment -0.074 -0.085626 -0.4463 0.077 0.05673 0.3153 0.013 -0.0093798 -0.053 -0.1063 -0.1936 1657100 TimTec1_002068 CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N23 mock treatment -0.046 -0.057626 -0.3004 0.085 0.06473 0.3597 -0.053 -0.07538 -0.4263 -0.2118 -0.3344 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 N24 mock treatment -0.074 -0.085626 -0.4463 -0.029 -0.04927 -0.2738 -0.054 -0.07638 -0.4319 -0.6651 -0.9799 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O01 compound treatment -0.033 -0.044626 -0.2326 -0.115 -0.13527 -0.7517 0.058 0.03562 0.2014 -0.452 -0.5565 3083580 TimTec1_002069 OC(=O)[C@@H]1CSC(N1)c2coc3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O02 compound treatment -0.066 -0.077626 -0.4046 -0.021 -0.04127 -0.2293 -0.007 -0.02938 -0.1661 -0.4619 -0.9353 3209766 TimTec1_002070 Cc1ccc(cc1)/C(=N\C#N)/NCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O03 compound treatment 0.131 0.11937 0.6222 -0.119 -0.13927 -0.7739 -0.056 -0.07838 -0.4433 -0.3435 -0.3159 3083581 TimTec1_002071 CCOC(=O)Nc1ccc(C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O04 compound treatment -0.018 -0.029626 -0.1544 -0.147 -0.16727 -0.9295 0.026 0.0036202 0.0205 -0.614 -0.6515 3209767 TimTec1_002072 O=C(NCc1ccccc1)/C=C/c2ccc(C#N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O05 compound treatment 0.012 3.7448E-4 0.002 0.073 0.05273 0.293 -0.019 -0.04138 -0.234 0.0352 0.0939 1190059 TimTec1_002073 CNC1C2CN3CCC(O2)C13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O06 compound treatment 0.17 0.15837 0.8255 0.071 0.05073 0.2819 0.161 0.13862 0.7839 1.092 0.9311 1479488 TimTec1_002074 Cn1c(Sc2cnn(c3ccccc3)c(=O)c2Br)nnc1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O07 compound treatment -0.025 -0.036626 -0.1909 0.073 0.05273 0.293 0.026 0.0036202 0.0205 0.0708 0.2021 3487465 TimTec1_002075 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O08 compound treatment -0.08 -0.091626 -0.4776 0.027 0.00673 0.0374 0.113 0.09062 0.5125 0.0417 0.0595 3083582 TimTec1_002076 CN(C)C(=O)CSc1nnc(c2cccc(F)c2)n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O09 compound treatment 0.169 0.15737 0.8203 0.186 0.16573 0.921 0.037 0.01462 0.0827 1.0531 0.8519 1278782 TimTec1_002077 COc1ccc2c3CCN4CC5C(C)OC=C(OC(=O)C)[C@H]5C[C@H]4c3[nH]c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O10 compound treatment 0.136 0.12437 0.6483 0.07 0.04973 0.2764 0.11 0.08762 0.4955 0.8199 0.9517 3083583 TimTec1_002078 O=C(ON1C(=O)CCC1=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O11 compound treatment -0.012 -0.023626 -0.1231 -0.124 -0.14427 -0.8017 -0.11 -0.13238 -0.7486 -0.9662 -0.8753 1523507 TimTec1_002079 NC(=O)c1sc2nc(ccc2c1N)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O12 compound treatment 0.287 0.27537 1.4353 0.152 0.13173 0.732 0.125 0.10262 0.5803 1.5864 0.9263 3083584 TimTec1_002080 CCOC(=O)c1cnc2cccc[n+]2c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O13 compound treatment 0.04 0.028374 0.1479 0.354 0.33373 1.8546 0.14 0.11762 0.6652 1.5402 0.7795 1224089 TimTec1_002081 O=C(Nc1cccc(NC(=O)C2CC2)c1)C3CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O14 compound treatment -0.08 -0.091626 -0.4776 -0.027 -0.04727 -0.2627 -0.007 -0.02938 -0.1661 -0.5233 -0.9184 3083585 TimTec1_002082 Fc1c(F)c(F)c(OCc2ccc(o2)C(=O)N3CCOCC3)c(F)c1F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O15 compound treatment -0.012 -0.023626 -0.1231 -0.034 -0.05427 -0.3016 -0.026 -0.04838 -0.2736 -0.4032 -0.9477 1612278 TimTec1_002083 CC(=O)Nc1nonc1NC(=O)c2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O16 compound treatment 0.006 -0.0056255 -0.0293 -0.207 -0.22727 -1.263 0.02 -0.0023798 -0.0135 -0.7539 -0.5967 1443254 TimTec1_002084 Clc1ccc(OCc2ccc(o2)C(=O)NCc3cccc(Cl)c3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O17 compound treatment 0.139 0.12737 0.6639 0.146 0.12573 0.6987 0.236 0.21362 1.2081 1.4842 0.9604 1195533 TimTec1_002085 CC(=O)OCC(=O)Nc1ccccc1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O18 compound treatment 0.194 0.18237 0.9506 0.205 0.18473 1.0266 0.108 0.08562 0.4842 1.4211 0.9598 1402999 TimTec1_002086 Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O19 compound treatment 0.227 0.21537 1.1226 0.099 0.07873 0.4375 0.033 0.01062 0.0601 0.9354 0.7754 1194370 TimTec1_002087 C=CCON1C(N(CC1=O)C(=O)Nc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O20 compound treatment 0.081 0.069374 0.3616 0.095 0.07473 0.4153 -0.046 -0.06838 -0.3867 0.2253 0.3348 3209769 TimTec1_002088 COc1ccc(Sc2cccs2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O21 compound treatment 0.144 0.13237 0.69 0.024 0.00373 0.0207 0.086 0.06362 0.3598 0.618 0.794 3209770 TimTec1_002089 COc1ccc(CC(C)(N)C(=O)O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O22 compound treatment 0.145 0.13337 0.6952 0.168 0.14773 0.821 0.106 0.08362 0.4729 1.1484 0.9772 3083586 TimTec1_002090 C=CCNC(=S)C(=O)Nc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O23 mock treatment -0.093 -0.10463 -0.5453 0.095 0.07473 0.4153 0.031 0.0086202 0.0487 -0.0469 -0.0683 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 O24 mock treatment 0.053 0.041374 0.2157 0.104 0.08373 0.4653 -0.03 -0.05238 -0.2962 0.2221 0.3751 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P01 compound treatment -0.105 -0.11663 -0.6079 -0.097 -0.11727 -0.6517 0.034 0.01162 0.0657 -0.6893 -0.7713 3083588 TimTec1_002091 Fc1ccc(SCSc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P02 compound treatment 0.333 0.32137 1.6751 0.084 0.06373 0.3542 -0.094 -0.11638 -0.6581 0.7916 0.4316 3209771 TimTec1_002092 COc1cc(cc(OC)c1OC)C(=O)Sc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P03 compound treatment -0.151 -0.16263 -0.8476 0.073 0.05273 0.293 -0.136 -0.15838 -0.8957 -0.8373 -0.6606 1455929 TimTec1_002093 Clc1ccc(OCC(=O)N2CCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P04 compound treatment 0.065 0.053374 0.2782 0.175 0.15473 0.8599 -0.122 -0.14438 -0.8165 0.1857 0.1524 3209887 TimTec1_002094 Cc1ccccc1C(C#N)C(CC#N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P05 compound treatment -0.309 -0.32063 -1.6712 -0.5 -0.52027 -2.8912 -0.243 -0.26538 -1.5008 -3.5006 -0.9561 3209888 TimTec1_002095 NS(=O)(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P06 compound treatment 0.345 0.33337 1.7376 -0.013 -0.03327 -0.1849 0.115 0.09262 0.5238 1.1989 0.6572 1275062 TimTec1_002096 OC(=O)C1(CC2CC3C1)CC(C2)(C3)n4cnc(Cl)n4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P07 compound treatment 0.072 0.060374 0.3147 0.031 0.01073 0.0596 0.245 0.22262 1.259 0.943 0.7259 3209889 TimTec1_002097 C/C(=N\n1c(n[nH]c1=O)c2ccccc2)/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P08 compound treatment 0.086 0.074374 0.3877 0.201 0.18073 1.0043 0.393 0.37062 2.0959 2.0138 0.8546 3209890 TimTec1_002098 CC(=O)N1c2ccccc2CCc3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P09 compound treatment 0.0 -0.011626 -0.0606 -0.024 -0.04427 -0.246 0.051 0.02862 0.1619 -0.0836 -0.278 1360532 TimTec1_002099 O=C(C1CCCNC1=O)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P10 compound treatment 0.051 0.039374 0.2052 -0.087 -0.10727 -0.5961 0.04 0.01762 0.0996 -0.1681 -0.2634 3083595 TimTec1_002100 Cc1nnc(SCc2c(C)cc(C)cc2C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P11 compound treatment -0.154 -0.16563 -0.8633 -0.122 -0.14227 -0.7906 0.17 0.14762 0.8348 -0.4729 -0.3289 1439208 TimTec1_002101 CC(C)C1C(O)C(=O)C2C3CCCC(C)(C)C3CC(OC(=O)C)C2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P12 compound treatment 0.054 0.042374 0.2209 -0.073 -0.09327 -0.5183 0.067 0.04462 0.2523 -0.026 -0.0422 1739919 TimTec1_002102 COc1ccc(NC(=O)Nc2ccc(cc2)N3CCCC3=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P13 compound treatment 0.379 0.36737 1.9148 0.043 0.02273 0.1263 0.067 0.04462 0.2523 1.3241 0.6841 3209891 TimTec1_002103 C/C(=N/c1ccc(cc1)S(=O)(=O)N2CCOCC2)/Nc3ccc(C(=O)O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P14 compound treatment 0.022 0.010374 0.0541 0.02 -2.7002E-4 -0.0015 0.0 -0.02238 -0.1266 -0.0427 -0.3104 3083596 TimTec1_002104 FC(F)(F)c1cc(NCCC(=O)c2ccccc2)ccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P15 compound treatment 0.109 0.097374 0.5075 -0.077 -0.09727 -0.5405 0.107 0.08462 0.4785 0.2572 0.2915 1614491 TimTec1_002105 Oc1nn(CNc2ccc(F)cc2)c(=O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P16 compound treatment 0.268 0.25637 1.3363 0.195 0.17473 0.971 0.178 0.15562 0.8801 1.8402 0.9832 3209892 TimTec1_002106 CC(C)CC1C(=NN(C(=S)c2ccc(C)cc2)C1(C)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P17 compound treatment 0.098 0.086374 0.4502 0.269 0.24873 1.3822 0.214 0.19162 1.0836 1.6836 0.9285 3209893 TimTec1_002107 OC(=O)c1ccccc1C2SCC(=O)N2NC(=S)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P18 compound treatment -0.12 -0.13163 -0.6861 -0.013 -0.03327 -0.1849 2.323 2.3006 8.0163 4.1254 0.5126 1488668 TimTec1_002108 CC(C)(C)NC(=O)c1ccccc1SCc2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P19 compound treatment -0.116 -0.12763 -0.6652 0.145 0.12473 0.6931 -0.103 -0.12538 -0.709 -0.3932 -0.3293 3209894 TimTec1_002109 CCOC(=O)C1=C(Sc2nnc(n2N=C1N)C(F)(F)F)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P20 compound treatment 0.153 0.14137 0.7369 0.385 0.36473 2.0269 0.019 -0.0033798 -0.0191 1.5846 0.7347 1730773 TimTec1_002110 CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P21 compound treatment 0.164 0.15237 0.7942 -0.051 -0.07127 -0.3961 -0.04 -0.06238 -0.3528 0.0262 0.0274 1494523 TimTec1_002111 COc1cc(cc(OC)c1OC)C(=O)n2c(SCc3ccc(F)cc3)nc4ccccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P22 compound treatment 0.335 0.32337 1.6855 0.315 0.29473 1.6379 0.247 0.22462 1.2703 2.6521 0.9927 3209895 TimTec1_002112 COC(=O)c1c(NC(=O)Nc2ccccc2)sc3CCCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P23 mock treatment 0.246 0.23437 1.2216 0.031 0.01073 0.0596 0.0 -0.02238 -0.1266 0.6667 0.5422 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2068 P24 mock treatment -0.146 -0.15763 -0.8216 0.054 0.03373 0.1874 -0.033 -0.05538 -0.3132 -0.5469 -0.6084 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A01 compound treatment -0.007 -0.018626 -0.0971 0.111 0.09073 0.5042 -0.145 -0.16738 -0.9466 -0.3114 -0.2892 1644449 TimTec1_004929 COc1cc2CN(C)C(Cc3ccc(OC(=O)C)cc3)c2cc1OBr 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A02 compound treatment -0.029 -0.040626 -0.2117 1.241 1.2207 6.0832 -0.062 -0.08438 -0.4772 3.1144 0.5101 3085801 TimTec1_004930 CCn1c(nc2ccccc12)c3nc4ccccc4n3CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A03 compound treatment 0.133 0.12137 0.6326 0.083 0.06273 0.3486 0.201 0.17862 1.0101 1.1497 0.9258 3211933 TimTec1_004931 CCOC(=O)/C=C(\C)/NC1CC(C)(C)NC(C)(C)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A04 compound treatment 0.132 0.12037 0.6274 0.164 0.14373 0.7987 0.2 0.17762 1.0045 1.4033 0.9824 3085802 TimTec1_004932 CO[C@H]1O[C@H](CO)C(=O)C(=C1N)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A05 compound treatment 0.093 0.081374 0.4241 0.051 0.03073 0.1708 0.049 0.02662 0.1505 0.4304 0.8941 3211934 TimTec1_004933 O=c1sc2ccccc2n1COc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A06 compound treatment 0.115 0.10337 0.5388 -0.017 -0.03727 -0.2071 0.43 0.40762 2.3052 1.5224 0.6406 1219039 TimTec1_004934 CN1CCN(Cc2c3ccccc3cc4ccccc24)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A07 compound treatment 0.07 0.058374 0.3043 0.02 -2.7002E-4 -0.0015 0.14 0.11762 0.6652 0.5588 0.764 3085803 TimTec1_004935 Cc1noc(C)c1C(=O)Nc2nnc(SCC(=O)O)s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A08 compound treatment 0.133 0.12137 0.6326 -0.269 -0.28927 -1.6075 0.092 0.06962 0.3937 -0.3355 -0.1894 1640299 TimTec1_004936 CN(Cc1ccc2OCOc2c1)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A09 compound treatment 0.285 0.27337 1.4249 0.097 0.07673 0.4264 0.228 0.20562 1.1628 1.7402 0.9217 1531940 TimTec1_004937 OC(C(=O)c1ccccc1)c2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A10 compound treatment 0.027 0.015374 0.0801 -0.013 -0.03327 -0.1849 0.058 0.03562 0.2014 0.0558 0.1959 3211935 TimTec1_004938 Cn1nnnc1c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A11 compound treatment 0.276 0.26437 1.378 0.378 0.35773 1.988 0.092 0.06962 0.3937 2.1706 0.8857 1334202 TimTec1_004939 CC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A12 compound treatment 0.677 0.66537 3.4681 0.385 0.36473 2.0269 0.528 0.50562 2.8594 4.8234 0.9782 1403452 TimTec1_004940 COc1ccccc1c2nn(CN(c3ccccc3)c4ccccc4)c(=S)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A13 compound treatment 0.11 0.098374 0.5128 -0.173 -0.19327 -1.074 0.09 0.06762 0.3824 -0.1033 -0.0826 1575737 TimTec1_004941 O=C(c1ccc2OCCCOc2c1)c3ccc4ccccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A14 compound treatment 0.215 0.20337 1.06 -0.077 -0.09727 -0.5405 0.186 0.16362 0.9253 0.8342 0.5534 1152651 TimTec1_004942 O[C@@H](C1CC2CCN1CC2C=C)c3cnc4ccccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A15 compound treatment -0.107 -0.11863 -0.6183 0.135 0.11473 0.6376 0.046 0.02362 0.1336 0.0882 0.0983 1401869 TimTec1_004943 CC1(C)CC2(CCCN(CC#N)C2)CCO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A16 compound treatment -0.019 -0.030626 -0.1596 0.0 -0.02027 -0.1126 0.2 0.17762 1.0045 0.4227 0.4131 1670175 TimTec1_004944 Cc1nc2c(sc3nc4CCCCc4c(c5ccco5)c32)c(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A17 compound treatment 0.055 0.043374 0.2261 -0.006 -0.02627 -0.146 0.201 0.17862 1.0101 0.6294 0.6021 1247373 TimTec1_004945 Brc1ccnc(N2C(=O)c3ccccc3C2=O)c1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A18 compound treatment 0.186 0.17437 0.9089 0.209 0.18873 1.0488 0.139 0.11662 0.6595 1.511 0.9834 3211937 TimTec1_004946 Nc1c(sc2nc(ccc12)c3cccs3)C(=O)c4ccc(Br)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A19 compound treatment -0.149 -0.16063 -0.8372 -0.073 -0.09327 -0.5183 0.02 -0.0023798 -0.0135 -0.7904 -0.8026 3085804 TimTec1_004947 CC(=C)C(=O)N1C(COC1=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A20 compound treatment -0.077 -0.088626 -0.4619 0.02 -2.7002E-4 -0.0015 0.006 -0.01638 -0.0926 -0.321 -0.6814 1254800 TimTec1_004948 CNc1nc(OC)cc(OC)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A21 compound treatment 0.051 0.039374 0.2052 0.143 0.12273 0.682 0.0 -0.02238 -0.1266 0.4392 0.6071 3211938 TimTec1_004949 O=C(NCc1ccco1)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A22 compound treatment -0.087 -0.098626 -0.5141 -0.189 -0.20927 -1.1629 -0.22 -0.24238 -1.3707 -1.7596 -0.9411 1033657 TimTec1_004950 CS(=O)(=O)c1nc2ccccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A23 mock treatment -0.065 -0.076626 -0.3994 0.122 0.10173 0.5653 0.057 0.03462 0.1958 0.2088 0.2903 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 A24 mock treatment -0.034 -0.045626 -0.2378 -0.112 -0.13227 -0.735 -0.048 -0.07038 -0.398 -0.7915 -0.9107 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B01 compound treatment -0.071 -0.082626 -0.4307 0.006 -0.01427 -0.0793 0.075 0.05262 0.2976 -0.1226 -0.2316 3211939 TimTec1_004951 CC(C)(C)C(=O)Nc1nccs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B02 compound treatment -0.02 -0.031626 -0.1648 0.167 0.14673 0.8154 -0.027 -0.04938 -0.2793 0.2144 0.2443 3211940 TimTec1_004952 O=S(=O)(/N=C(\Nc1cccc2ccccc12)/c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B03 compound treatment 0.031 0.019374 0.101 0.039 0.01873 0.1041 0.307 0.28462 1.6096 1.0477 0.6483 1143395 TimTec1_004953 CN(C)c1nc2n(C)c(=O)[nH]c(=O)c2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B04 compound treatment 0.027 0.015374 0.0801 -0.073 -0.09327 -0.5183 -0.04 -0.06238 -0.3528 -0.4567 -0.7225 3085810 TimTec1_004954 CCOC(=O)c1cn(nc1C(F)(F)F)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B05 compound treatment 0.031 0.019374 0.101 -0.03 -0.05027 -0.2794 -0.233 -0.25538 -1.4442 -0.9368 -0.6354 3211941 TimTec1_004955 CCc1[o+]c(cc2CCCCc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B06 compound treatment -0.102 -0.11363 -0.5922 -0.042 -0.06227 -0.346 0.02 -0.0023798 -0.0135 -0.5495 -0.8009 1673469 TimTec1_004956 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B07 compound treatment 0.269 0.25737 1.3415 0.236 0.21573 1.1988 0.302 0.27962 1.5813 2.3796 0.9935 3211942 TimTec1_004957 O=C/1CCCC\C1=C\Nc2cccc(N/C=C\3/CCCCC3=O)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B08 compound treatment 0.229 0.21737 1.133 -0.116 -0.13627 -0.7573 0.077 0.05462 0.3089 0.3953 0.2829 1541165 TimTec1_004958 Cc1nonc1NC(=O)Nc2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B09 compound treatment 0.397 0.38537 2.0087 0.244 0.22373 1.2433 0.295 0.27262 1.5417 2.7676 0.9811 1429667 TimTec1_004959 COc1cccc(C(N2CCCC2)c3cc4OCOc4cc3O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B10 compound treatment 0.018 0.0063745 0.0332 0.046 0.02573 0.143 0.061 0.03862 0.2184 0.2278 0.8658 3085814 TimTec1_004960 CC(=O)Nc1sc(C)c(C)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B11 compound treatment 0.24 0.22837 1.1903 0.695 0.67473 3.7496 0.198 0.17562 0.9932 3.4255 0.8442 1366449 TimTec1_004961 CN(C)c1ccc(cc1)C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B12 compound treatment 0.091 0.079374 0.4137 -0.012 -0.03227 -0.1793 0.057 0.03462 0.1958 0.2484 0.5052 3085816 TimTec1_004962 CC1=NNC(=O)C1C(C(C#N)C#N)c2ccccc2F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B13 compound treatment 0.144 0.13237 0.69 0.184 0.16373 0.9099 0.138 0.11562 0.6539 1.3012 0.9888 1019517 TimTec1_004963 COc1cc(cc(OC)c1O)C2C3C(COC3=O)Cc4c(O)c5OCOc5cc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B14 compound treatment -0.153 -0.16463 -0.8581 -0.098 -0.11827 -0.6572 0.113 0.09062 0.5125 -0.579 -0.484 1563233 TimTec1_004964 CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc3ccc(C)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B15 compound treatment -0.105 -0.11663 -0.6079 0.108 0.08773 0.4875 0.027 0.0046202 0.0261 -0.0544 -0.0698 3085858 TimTec1_004965 COc1cnc(SC)n(C)c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B16 compound treatment 0.208 0.19637 1.0236 -0.09 -0.11027 -0.6128 -0.034 -0.05638 -0.3188 0.0531 0.043 1621047 TimTec1_004966 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3Cl)c(Br)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B17 compound treatment -0.111 -0.12263 -0.6392 -0.006 -0.02627 -0.146 0.013 -0.0093798 -0.053 -0.4839 -0.7357 1547656 TimTec1_004967 CCOc1nc2ccccc2c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B18 compound treatment -0.161 -0.17263 -0.8998 -0.072 -0.09227 -0.5128 0.053 0.03062 0.1732 -0.7155 -0.6815 1446595 TimTec1_004968 CC(C)c1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4n3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B19 compound treatment 0.296 0.28437 1.4822 0.11 0.08973 0.4986 0.418 0.39562 2.2373 2.4354 0.8922 2747 TimTec1_004969 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B20 compound treatment 0.119 0.10737 0.5597 -0.012 -0.03227 -0.1793 0.205 0.18262 1.0328 0.8158 0.6866 1295276 TimTec1_004970 NC(=S)c1[nH]nc2c1[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B21 compound treatment -0.212 -0.22363 -1.1656 -0.108 -0.12827 -0.7128 -0.114 -0.13638 -0.7713 -1.5298 -0.975 1170984 TimTec1_004971 Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B22 compound treatment -0.104 -0.11563 -0.6027 -0.184 -0.20427 -1.1352 -0.145 -0.16738 -0.9466 -1.5498 -0.971 3085864 TimTec1_004972 CCCCC1SC(=NNC1=O)/N=C/c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B23 mock treatment 0.031 0.019374 0.101 -0.038 -0.05827 -0.3238 -0.238 -0.26038 -1.4725 -0.9788 -0.6478 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 B24 mock treatment -0.127 -0.13863 -0.7225 -0.006 -0.02627 -0.146 0.161 0.13862 0.7839 -0.0489 -0.0454 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C01 compound treatment -0.088 -0.099626 -0.5193 0.041 0.02073 0.1152 0.197 0.17462 0.9875 0.3368 0.3003 1262842 TimTec1_004973 CCOC(=O)C1(CCN(c2ccccc2C1=O)S(=O)(=O)c3ccc(C)cc3)C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C02 compound treatment 0.027 0.015374 0.0801 -0.02 -0.04027 -0.2238 -0.04 -0.06238 -0.3528 -0.2866 -0.6738 1630883 TimTec1_004974 Cn1c(nc2ccccc12)P(=O)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C03 compound treatment 0.045 0.033374 0.174 -0.093 -0.11327 -0.6295 0.321 0.29862 1.6888 0.712 0.3932 3211943 TimTec1_004975 CCc1cccc(NC(=O)OC2CCN(C)CC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C04 compound treatment 0.077 0.065374 0.3407 0.061 0.04073 0.2263 0.4 0.37762 2.1355 1.5603 0.7176 3085867 TimTec1_004976 Oc1ccccc1/N=C/c2ccncc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C05 compound treatment 0.234 0.22237 1.1591 0.055 0.03473 0.193 0.133 0.11062 0.6256 1.1418 0.8577 1684419 TimTec1_004977 CC(=O)Nc1ccc2n(CC=C)c(=O)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C06 compound treatment 0.024 0.012374 0.0645 -0.107 -0.12727 -0.7073 -0.153 -0.17538 -0.9918 -0.9437 -0.7736 3085869 TimTec1_004978 CN1CCN(Cc2c(Cl)cccc2Cl)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C07 compound treatment 0.038 0.026374 0.1375 0.241 0.22073 1.2266 0.381 0.35862 2.0281 1.9585 0.8249 1544605 TimTec1_004979 Cc1ccc(F)c2[nH]cc3c(=O)n(nc3c12)c4ccccc4Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C08 compound treatment 0.006 -0.0056255 -0.0293 -0.013 -0.03327 -0.1849 0.013 -0.0093798 -0.053 -0.1543 -0.793 1692460 TimTec1_004980 CSc1ccc(CN2CCOCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C09 compound treatment -0.103 -0.11463 -0.5975 -0.018 -0.03827 -0.2127 0.0 -0.02238 -0.1266 -0.5408 -0.8363 1697399 TimTec1_004981 CC(Oc1ccc2c(cc(=O)oc2c1)c3ccccc3)C(=O)ON4C(=O)CCC4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C10 compound treatment 0.08 0.068374 0.3564 0.074 0.05373 0.2986 0.196 0.17362 0.9819 0.945 0.8699 1553247 TimTec1_004982 Nc1nc(c(Cl)s1)S(=O)(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C11 compound treatment 0.116 0.10437 0.544 0.123 0.10273 0.5709 -0.06 -0.08238 -0.4659 0.3747 0.4091 1170357 TimTec1_004983 CC(C)(C)OC(=O)N1CCCC1C(=O)Oc2ccc3c(=O)c(coc3c2)c4ccc5OCCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C12 compound treatment -0.047 -0.058626 -0.3056 0.075 0.05473 0.3041 0.019 -0.0033798 -0.0191 -0.0119 -0.0275 1143084 TimTec1_004984 O=C(CSCc1c[nH]c2ccccc12)Nc3ccc4ccccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C13 compound treatment 0.497 0.48537 2.5299 0.147 0.12673 0.7043 0.607 0.58462 3.3061 3.776 0.8943 1113621 TimTec1_004985 S=C(N1CCOCC1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C14 compound treatment -0.071 -0.082626 -0.4307 0.021 7.2998E-4 0.0041 -0.074 -0.09638 -0.545 -0.561 -0.8076 3211944 TimTec1_004986 OC[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccc(cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C15 compound treatment 0.151 0.13937 0.7265 0.492 0.47173 2.6215 -0.079 -0.10138 -0.5733 1.6019 0.5762 1673684 TimTec1_004987 COc1nc(nc(n1)N2CCc3ccccc23)N4CCc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C16 compound treatment -0.092 -0.10363 -0.5401 -0.051 -0.07127 -0.3961 -0.053 -0.07538 -0.4263 -0.7866 -0.9908 3085875 TimTec1_004988 CCc1nc(SC)c(C#N)c2CCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C17 compound treatment 0.066 0.054374 0.2834 0.018 -0.00227 -0.0126 0.067 0.04462 0.2523 0.302 0.7955 1436730 TimTec1_004989 CC1(C)CC(=O)C(C(=C1)O)C2(O)C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C18 compound treatment 0.067 0.055374 0.2886 -0.103 -0.12327 -0.685 0.182 0.15962 0.9027 0.2923 0.25 1271503 TimTec1_004990 COc1ccc(OC)c(c1)C2C(=C(N)Oc3cc(C)oc(=O)c23)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C19 compound treatment 0.524 0.51237 2.6706 0.14 0.11973 0.6654 0.574 0.55162 3.1195 3.7271 0.8959 3085916 TimTec1_004991 CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C20 compound treatment -0.018 -0.029626 -0.1544 -0.097 -0.11727 -0.6517 -0.019 -0.04138 -0.234 -0.6005 -0.8465 3085918 TimTec1_004992 Nc1nc(OCC(F)(F)F)cc(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C21 compound treatment 0.041 0.029374 0.1531 0.097 0.07673 0.4264 0.088 0.06562 0.3711 0.5488 0.9372 3211998 TimTec1_004993 CC1CCN(CC1)C(=O)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C22 compound treatment -0.025 -0.036626 -0.1909 -0.032 -0.05227 -0.2905 0.053 0.03062 0.1732 -0.1779 -0.4582 3085922 TimTec1_004994 Cc1nc2ccccc2c(=O)n1/N=C/c3ccc4ncccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C23 mock treatment 0.011 -6.2552E-4 -0.0033 0.07 0.04973 0.2764 -0.066 -0.08838 -0.4998 -0.1309 -0.2292 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 C24 mock treatment 0.144 0.13237 0.69 0.174 0.15373 0.8543 0.043 0.02062 0.1166 0.9589 0.8683 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D01 compound treatment -0.02 -0.031626 -0.1648 0.083 0.06273 0.3486 0.163 0.14062 0.7952 0.5652 0.6395 1018493 TimTec1_004995 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D02 compound treatment -0.148 -0.15963 -0.832 -0.083 -0.10327 -0.5739 -0.059 -0.08138 -0.4602 -1.0774 -0.9701 1571869 TimTec1_004996 Cc1ccc(cc1)S(=O)(=O)NC(=O)SC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D03 compound treatment -0.076 -0.087626 -0.4567 0.08 0.05973 0.3319 -0.052 -0.07438 -0.4206 -0.3149 -0.4473 1513997 TimTec1_004997 Cc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D04 compound treatment 0.027 0.015374 0.0801 0.058 0.03773 0.2097 0.166 0.14362 0.8122 0.6362 0.7551 1365828 TimTec1_004998 CSc1nc2NC(=CC(c3ccccc3)n2n1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D05 compound treatment -0.078 -0.089626 -0.4671 -0.019 -0.03927 -0.2182 -0.109 -0.13138 -0.743 -0.8247 -0.9119 3085925 TimTec1_004999 CCc1[o+]c(cc2cc(OC)c(OC)cc12)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D06 compound treatment -0.223 -0.23463 -1.2229 -0.182 -0.20227 -1.124 -0.111 -0.13338 -0.7543 -1.7905 -0.9815 1921582 TimTec1_005000 Cc1cc(C)n(n1)C(=O)c2ccc(cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D07 compound treatment 0.216 0.20437 1.0652 0.119 0.09873 0.5487 -0.155 -0.17738 -1.0031 0.3526 0.2257 3211999 TimTec1_005001 O=C/1CCCC\C1=C\Nc2ccc(N/C=C\3/CCCCC3=O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D08 compound treatment -0.281 -0.29263 -1.5252 0.137 0.11673 0.6487 -0.274 -0.29638 -1.6761 -1.4738 -0.6252 1174633 TimTec1_005002 CC(NC(=O)c1cccc(N)c1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D09 compound treatment -0.091 -0.10263 -0.5349 0.119 0.09873 0.5487 0.006 -0.01638 -0.0926 -0.0455 -0.059 1210964 TimTec1_005003 COc1ccc(cc1)C(C)c2cc3OCOc3cc2OCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D10 compound treatment 0.094 0.082374 0.4294 0.127 0.10673 0.5931 0.199 0.17662 0.9988 1.167 0.9423 3212000 TimTec1_005004 Clc1ccc(NC(=O)c2cccs2)nc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D11 compound treatment 0.891 0.87937 4.5835 1.167 1.1467 5.901 1.289 1.2666 6.2944 9.6873 0.9916 1124331 TimTec1_005005 CN(C)c1ccc(cc1)C(N2CCCCC2)c3cc4OCOc4cc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D12 compound treatment -0.136 -0.14763 -0.7695 -0.149 -0.16927 -0.9407 -0.188 -0.21038 -1.1897 -1.6742 -0.9844 1007160 TimTec1_005006 NC(=N)Nc1nc2ccccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D13 compound treatment 0.381 0.36937 1.9253 0.201 0.18073 1.0043 0.159 0.13662 0.7726 2.1375 0.9274 3085929 TimTec1_005007 Cn1c(=O)n(C)c2nc([nH]c2c1=O)[n+]3ccc(cc3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D14 compound treatment 0.028 0.016374 0.0853 0.021 7.2998E-4 0.0041 -0.103 -0.12538 -0.709 -0.3578 -0.5009 1272092 TimTec1_005008 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc4ccccc4c3)c(S)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D15 compound treatment -0.038 -0.049626 -0.2587 0.094 0.07373 0.4097 0.091 0.06862 0.3881 0.3113 0.5014 1371696 TimTec1_005009 OC(=O)Cn1ccsc1=N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D16 compound treatment 0.053 0.041374 0.2157 0.056 0.03573 0.1986 -0.03 -0.05238 -0.2962 0.0681 0.1635 3085931 TimTec1_005010 CCOC(=O)N(c1ccccc1)S(=O)(=O)c2ccccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D17 compound treatment -0.085 -0.096626 -0.5036 -0.15 -0.17027 -0.9462 -0.061 -0.08338 -0.4715 -1.1093 -0.9473 1391232 TimTec1_005011 CCOc1nc2ccccc2c(=O)n1CCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D18 compound treatment 0.019 0.0073745 0.0384 0.045 0.02473 0.1374 0.244 0.22162 1.2533 0.8251 0.6541 1600779 TimTec1_005012 NC(=O)c1c(oc2ccc(O)cc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D19 compound treatment 0.121 0.10937 0.5701 -0.031 -0.05127 -0.2849 0.117 0.09462 0.5351 0.4736 0.5691 3085934 TimTec1_005013 Cn1cnnc1SC/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D20 compound treatment -0.064 -0.075626 -0.3942 -0.347 -0.36727 -2.041 -0.145 -0.16738 -0.9466 -1.9524 -0.8548 3212001 TimTec1_005014 N(=c/1\[nH]c2c(ccc3ccccc23)s1)\c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D21 compound treatment 0.107 0.095374 0.4971 -0.08 -0.10027 -0.5572 -0.123 -0.14538 -0.8221 -0.5094 -0.4586 1597367 TimTec1_005015 OC(=O)C(CC(=O)c1ccc(Cl)cc1)SCc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D22 compound treatment 0.425 0.41337 2.1546 0.227 0.20673 1.1488 0.161 0.13862 0.7839 2.3598 0.9202 3212002 TimTec1_005016 N1N=C(SC=C1c2ccccc2)/N=C/c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D23 mock treatment 0.084 0.072374 0.3772 -0.075 -0.09527 -0.5294 0.101 0.07862 0.4446 0.1688 0.2144 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 D24 mock treatment -0.024 -0.035626 -0.1857 0.0 -0.02027 -0.1126 0.03 0.0076202 0.0431 -0.1474 -0.6655 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E01 compound treatment -0.056 -0.067626 -0.3525 0.08 0.05973 0.3319 -0.25 -0.27238 -1.5404 -0.9012 -0.5581 1071315 TimTec1_005017 COc1ccc2c3CCCC(=O)c3ccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E02 compound treatment -0.105 -0.11663 -0.6079 -0.02 -0.04027 -0.2238 -0.096 -0.11838 -0.6695 -0.8667 -0.9304 1454628 TimTec1_005018 Oc1ccc(C(=O)COc2ccccc2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E03 compound treatment -0.073 -0.084626 -0.4411 -0.117 -0.13727 -0.7628 -0.019 -0.04138 -0.234 -0.8302 -0.9106 3085938 TimTec1_005019 CCOC(=O)Nc1nc2c(Cl)cccc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E04 compound treatment 0.114 0.10237 0.5336 0.095 0.07473 0.4153 0.081 0.05862 0.3315 0.7392 0.9817 1030338 TimTec1_005020 COC(=O)c1nc[nH]c1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E05 compound treatment 0.083 0.071374 0.372 -0.026 -0.04627 -0.2571 0.006 -0.01638 -0.0926 0.0129 0.0278 3085974 TimTec1_005021 CCOC(=O)n1c(=O)sc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E06 compound treatment -0.021 -0.032626 -0.1701 -0.006 -0.02627 -0.146 0.109 0.08662 0.4899 0.1004 0.1863 3085976 TimTec1_005022 CN1CCN(CC2CCC=CC2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E07 compound treatment -0.046 -0.057626 -0.3004 0.014 -0.00627 -0.0348 0.0 -0.02238 -0.1266 -0.2666 -0.8133 1140829 TimTec1_005023 CN(C)S(=O)(=O)c1ccc(C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E08 compound treatment 0.256 0.24437 1.2737 0.143 0.12273 0.682 0.006 -0.01638 -0.0926 1.0757 0.743 1363499 TimTec1_005024 CCCN(CCO)CC1CCC=CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E09 compound treatment -0.142 -0.15363 -0.8007 -0.029 -0.04927 -0.2738 -0.041 -0.06338 -0.3584 -0.8273 -0.9002 1427526 TimTec1_005025 O=c1c(Oc2ccccc2)coc3cc(OCc4ccccc4)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E10 compound treatment -0.061 -0.072626 -0.3785 0.108 0.08773 0.4875 0.019 -0.0033798 -0.0191 0.0519 0.084 1637231 TimTec1_005026 COC1(CCCC2(CCC1)C(=O)O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E11 compound treatment 0.138 0.12637 0.6587 0.074 0.05373 0.2986 0.042 0.01962 0.111 0.6167 0.8429 1442714 TimTec1_005027 CCOC(=O)c1ccc(o1)c2coc3cc(O)cc(O)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E12 compound treatment 0.378 0.36637 1.9096 0.25 0.22973 1.2766 0.331 0.30862 1.7453 2.8472 0.987 1234769 TimTec1_005028 COc1ccc(cc1)c2cc(NC(=O)Nc3ccccc3)n(n2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E13 compound treatment -0.021 -0.032626 -0.1701 -0.215 -0.23527 -1.3074 0.019 -0.0033798 -0.0191 -0.8641 -0.6553 1381033 TimTec1_005029 COc1cc(Cl)cc(C(=O)O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E14 compound treatment -0.072 -0.083626 -0.4359 0.041 0.02073 0.1152 0.37 0.34762 1.9659 0.9498 0.4709 1056436 TimTec1_005030 CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E15 compound treatment 0.047 0.035374 0.1844 -0.021 -0.04127 -0.2293 0.061 0.03862 0.2184 0.1001 0.2732 1074483 TimTec1_005031 CCN(C(=O)Nc1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E16 compound treatment 0.025 0.013374 0.0697 0.032 0.01173 0.0652 -0.175 -0.19738 -1.1162 -0.5666 -0.5057 3212003 TimTec1_005032 Cc1s/c(=N/c2ccccc2)/[nH]c1c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E17 compound treatment 0.045 0.033374 0.174 -0.133 -0.15327 -0.8517 0.083 0.06062 0.3428 -0.1934 -0.207 3212004 TimTec1_005033 C(=N/c1cc(nn1c2ccccc2)c3ccccc3)\c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E18 compound treatment 0.013 0.0013745 0.0072 -0.135 -0.15527 -0.8629 -0.019 -0.04138 -0.234 -0.6291 -0.7037 3085984 TimTec1_005034 COc1ccc(/C=C/2\C(=NC(=NC2=O)S)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E19 compound treatment 0.013 0.0013745 0.0072 -0.133 -0.15327 -0.8517 0.068 0.04562 0.258 -0.3387 -0.3805 3212005 TimTec1_005035 CCc1ccc(NC(=O)CSc2nncn2C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E20 compound treatment 0.055 0.043374 0.2261 0.329 0.30873 1.7157 0.043 0.02062 0.1166 1.1884 0.6852 3085985 TimTec1_005036 Cc1cc(nc(N)n1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E21 compound treatment -0.102 -0.11363 -0.5922 0.15 0.12973 0.7209 -0.126 -0.14838 -0.8391 -0.4102 -0.3269 3212006 TimTec1_005037 Cc1ccc(cc1)C(=O)N/C(=C\C=C/c2ccccc2)/C(=O)NCC3CCCO3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E22 compound treatment -0.044 -0.055626 -0.2899 0.006 -0.01427 -0.0793 -0.127 -0.14938 -0.8448 -0.7009 -0.7817 3085988 TimTec1_005038 Oc1ccc(/C=N\C2c3ccccc3-c4ccccc24)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E23 mock treatment -0.071 -0.082626 -0.4307 -0.066 -0.08627 -0.4794 0.047 0.02462 0.1392 -0.445 -0.675 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 E24 mock treatment 0.096 0.084374 0.4398 0.015 -0.00527 -0.0293 0.091 0.06862 0.3881 0.461 0.7851 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F01 compound treatment 0.11 0.098374 0.5128 0.061 0.04073 0.2263 -0.044 -0.06638 -0.3754 0.21 0.3113 3212007 TimTec1_005039 C[n+]1c(/C=C/Nc2ccccc2)sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F02 compound treatment -0.107 -0.11863 -0.6183 0.007 -0.01327 -0.0737 -0.014 -0.03638 -0.2057 -0.5183 -0.7904 3085989 TimTec1_005040 Cn1c(=O)[nH]c(=O)c2n3CCCC(c3nc12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F03 compound treatment -0.032 -0.043626 -0.2274 -0.034 -0.05427 -0.3016 -0.043 -0.06538 -0.3697 -0.5189 -0.9817 3212008 TimTec1_005041 Clc1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F04 compound treatment -0.081 -0.092626 -0.4828 -0.047 -0.06727 -0.3738 0.183 0.16062 0.9083 0.0299 0.0273 1188459 TimTec1_005042 OC(CN(Cc1ccccc1)Cc2ccccc2)Cn3c4ccccc4c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F05 compound treatment -0.163 -0.17463 -0.9102 -0.031 -0.05127 -0.2849 -0.013 -0.03538 -0.2001 -0.8055 -0.8266 3085992 TimTec1_005043 COC(=O)C(Cc1c[nH]c2ccccc12)/N=C/c3cc(Cl)cc(Cl)c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F06 compound treatment -0.071 -0.082626 -0.4307 0.521 0.50073 2.7826 0.107 0.08462 0.4785 1.6342 0.5722 1464296 TimTec1_005044 CCCOC(=O)c1c(N)sc2CCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F07 compound treatment -0.013 -0.024626 -0.1284 -0.03 -0.05027 -0.2794 0.143 0.12062 0.6821 0.1584 0.2118 3085994 TimTec1_005045 CC1(C)CC(=O)C/C(=N\CC(=O)O)/C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F08 compound treatment -0.201 -0.21263 -1.1083 0.093 0.07273 0.4042 0.268 0.24562 1.389 0.3955 0.217 3212009 TimTec1_005046 COc1cccc(c1)c2nnc(o2)c3ccc(NC(=O)C(F)(F)F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F09 compound treatment 0.056 0.044374 0.2313 0.152 0.13173 0.732 0.056 0.03362 0.1901 0.666 0.842 1692415 TimTec1_005047 COc1ccccc1C(C2=C(O)COC2=O)c3cc4OCOc4cc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F10 compound treatment 0.013 0.0013745 0.0072 -0.053 -0.07327 -0.4072 -0.007 -0.02938 -0.1661 -0.3269 -0.7432 1261046 TimTec1_005048 O=C(Nc1nccs1)c2ccccc2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F11 compound treatment 0.042 0.030374 0.1583 0.006 -0.01427 -0.0793 0.183 0.16062 0.9083 0.57 0.616 1427389 TimTec1_005049 Oc1cc2OCOc2cc1C(Nc3ccccn3)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F12 compound treatment 0.036 0.024374 0.127 0.042 0.02173 0.1208 0.0 -0.02238 -0.1266 0.07 0.3238 1182617 TimTec1_005050 CC(C)(C)C(=O)C1C2CCC1C(O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F13 compound treatment 0.027 0.015374 0.0801 0.0 -0.02027 -0.1126 -0.073 -0.09538 -0.5394 -0.3302 -0.593 1471843 TimTec1_005051 Cn1c(SCC(=O)OCC(=O)c2ccc(Br)cc2)nc3n(C)c(=O)[nH]c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F14 compound treatment -0.059 -0.070626 -0.3681 -0.136 -0.15627 -0.8684 0.037 0.01462 0.0827 -0.6662 -0.7036 1227820 TimTec1_005052 CC1CCN(CC1)C(=O)COc2ccc(Br)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F15 compound treatment -0.054 -0.065626 -0.3421 0.035 0.01473 0.0819 -0.307 -0.32938 -1.8627 -1.2257 -0.6466 1067946 TimTec1_005053 Cc1nnc(o1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F16 compound treatment -0.088 -0.099626 -0.5193 -0.029 -0.04927 -0.2738 -0.022 -0.04438 -0.251 -0.6028 -0.9442 3212010 TimTec1_005054 CCOC(=O)N(c1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F17 compound treatment -0.123 -0.13463 -0.7017 -0.152 -0.17227 -0.9573 0.168 0.14562 0.8235 -0.4824 -0.3339 1743351 TimTec1_005055 CCOC(=O)CNc1nc(N)n[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F18 compound treatment -0.15 -0.16163 -0.8424 0.216 0.19573 1.0877 -0.067 -0.08938 -0.5055 -0.1502 -0.1025 3212069 TimTec1_005056 Sc1nnc2c3cc(Br)ccc3n(CC=C)c2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F19 compound treatment -0.039 -0.050626 -0.2639 0.031 0.01073 0.0596 0.423 0.40062 2.2656 1.1901 0.5216 3086039 TimTec1_005057 OC(=O)c1ccc(Sc2ccccn2)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F20 compound treatment -0.023 -0.034626 -0.1805 0.012 -0.00827 -0.046 0.094 0.07162 0.405 0.1031 0.2313 3212070 TimTec1_005058 CC1SC(=NNC1=O)/N=C/c2ccc(cc2)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F21 compound treatment -0.006 -0.017626 -0.0919 0.006 -0.01427 -0.0793 -0.013 -0.03538 -0.2001 -0.2143 -0.916 1338088 TimTec1_005059 Cc1ccc(cc1)C(=O)CC(SC2CCCCC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F22 compound treatment -0.077 -0.088626 -0.4619 -0.224 -0.24427 -1.3574 -0.142 -0.16438 -0.9296 -1.5871 -0.9288 3212071 TimTec1_005060 Cc1c(/N=c/2\scc(c3ccccc3)n2c4ccccc4)c(=O)n(c5ccccc5)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F23 mock treatment 0.079 0.067374 0.3512 0.113 0.09273 0.5153 -0.013 -0.03538 -0.2001 0.3848 0.5875 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 F24 mock treatment 0.147 0.13537 0.7056 -0.108 -0.12827 -0.7128 0.089 0.06662 0.3767 0.2134 0.1991 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G01 compound treatment -0.108 -0.11963 -0.6235 0.665 0.64473 3.5829 0.061 0.03862 0.2184 1.8347 0.5036 3086042 TimTec1_005061 CCOC(=O)C1=C(O)C(=O)N(C1)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G02 compound treatment 0.06 0.048374 0.2521 -0.014 -0.03427 -0.1904 0.0 -0.02238 -0.1266 -0.0375 -0.11 3212072 TimTec1_005062 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G03 compound treatment 0.118 0.10637 0.5544 0.034 0.01373 0.0763 0.051 0.02862 0.1619 0.4576 0.7854 1400641 TimTec1_005063 C=CCON1C(=O)C2C3OC(C=C3)C2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G04 compound treatment -0.071 -0.082626 -0.4307 -0.007 -0.02727 -0.1515 0.047 0.02462 0.1392 -0.2558 -0.5358 3212073 TimTec1_005064 C[N+](C)(C)[C@H]1C(O)O[C@@H]2C(O)CO[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G05 compound treatment -0.075 -0.086626 -0.4515 -0.018 -0.03827 -0.2127 -0.12 -0.14238 -0.8052 -0.8483 -0.8955 1411352 TimTec1_005065 C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)C4(OCCO4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G06 compound treatment -0.027 -0.038626 -0.2013 0.006 -0.01427 -0.0793 0.182 0.15962 0.9027 0.3591 0.3869 3212074 TimTec1_005066 CN1CCN(Cc2ccc[nH]2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G07 compound treatment 0.19 0.17837 0.9297 0.045 0.02473 0.1374 0.172 0.14962 0.8461 1.1046 0.8735 3086046 TimTec1_005067 COc1ccc(cc1)c2nc3ccsc3c(=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G08 compound treatment 0.006 -0.0056255 -0.0293 -0.123 -0.14327 -0.7962 0.045 0.02262 0.1279 -0.4027 -0.4991 1405970 TimTec1_005068 CN(C)CCN(CC1CC2CC1C=C2)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G09 compound treatment 0.115 0.10337 0.5388 0.196 0.17573 0.9766 0.185 0.16262 0.9196 1.4059 0.9725 1084368 TimTec1_005069 OC(=O)C1CSC2(CCCCC2)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G10 compound treatment 0.07 0.058374 0.3043 0.187 0.16673 0.9265 0.122 0.09962 0.5634 1.0359 0.9197 1144864 TimTec1_005070 CCN1C(=O)c2cccc3c(NC(=O)C)ccc1c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G11 compound treatment -0.076 -0.087626 -0.4567 -0.055 -0.07527 -0.4183 0.102 0.07962 0.4503 -0.2452 -0.3203 3212075 TimTec1_005071 Cc1[nH]cnc1C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G12 compound treatment 0.061 0.049374 0.2574 0.137 0.11673 0.6487 0.048 0.02562 0.1449 0.6068 0.8513 1717981 TimTec1_005072 Oc1ccc(=O)n(CN(c2ccccc2)c3ccccc3)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G13 compound treatment 0.352 0.34037 1.7741 0.104 0.08373 0.4653 -0.195 -0.21738 -1.2293 0.5832 0.2641 1174597 TimTec1_005073 CCc1cc2OCCOc2cc1C(=O)CCN3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G14 compound treatment -0.044 -0.055626 -0.2899 -0.013 -0.03327 -0.1849 0.099 0.07662 0.4333 -0.024 -0.0433 3086051 TimTec1_005074 CC1CC(C)(C)N=C(O1)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G15 compound treatment 0.096 0.084374 0.4398 0.071 0.05073 0.2819 0.053 0.03062 0.1732 0.5166 0.9388 1409343 TimTec1_005075 O=C1N(CNN2CCCc3ccccc23)C(=O)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G16 compound treatment 0.107 0.095374 0.4971 0.099 0.07873 0.4375 0.039 0.01662 0.094 0.5939 0.8879 1629224 TimTec1_005076 CSc1ccc(cc1)c2[nH]c(=N)sc2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G17 compound treatment -0.043 -0.054626 -0.2847 -0.092 -0.11227 -0.6239 0.162 0.13962 0.7896 -0.0687 -0.0657 1378559 TimTec1_005077 CCN(CC)c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G18 compound treatment 0.432 0.42037 2.1911 0.048 0.02773 0.1541 0.06 0.03762 0.2127 1.4768 0.6692 1733553 TimTec1_005078 Oc1nc2CCCc2c(=O)n1C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G19 compound treatment 0.006 -0.0056255 -0.0293 -0.058 -0.07827 -0.435 0.131 0.10862 0.6143 0.0866 0.115 3086099 TimTec1_005079 Clc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G20 compound treatment -0.121 -0.13263 -0.6913 -0.104 -0.12427 -0.6906 0.007 -0.01538 -0.087 -0.848 -0.8645 1367022 TimTec1_005080 Oc1ccccc1OCC(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G21 compound treatment 0.006 -0.0056255 -0.0293 -0.017 -0.03727 -0.2071 0.08 0.05762 0.3259 0.0516 0.1333 3212076 TimTec1_005081 O=C(NCC1CCCO1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G22 compound treatment 0.143 0.13137 0.6848 -0.135 -0.15527 -0.8629 0.0 -0.02238 -0.1266 -0.1759 -0.1586 3086101 TimTec1_005082 O=S(=O)(c1ccc(/N=C\c2ccncc2)cc1)c3ccc(/N=C\c4ccncc4)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G23 mock treatment -0.023 -0.034626 -0.1805 0.067 0.04673 0.2597 -0.013 -0.03538 -0.2001 -0.0698 -0.1865 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 G24 mock treatment 0.089 0.077374 0.4033 0.163 0.14273 0.7932 0.175 0.15262 0.8631 1.1891 0.9592 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H01 compound treatment -0.027 -0.038626 -0.2013 0.204 0.18373 1.021 0.203 0.18062 1.0214 1.063 0.729 3212077 TimTec1_005083 CC[n+]1c(/C=C/Nc2ccccc2)sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H02 compound treatment 0.166 0.15437 0.8046 0.152 0.13173 0.732 -0.103 -0.12538 -0.709 0.4778 0.368 1673284 TimTec1_005084 CC(=C)c1cccc(c1)C(C)(C)NC(=O)NCC2CCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H03 compound treatment 0.013 0.0013745 0.0072 0.037 0.01673 0.093 0.019 -0.0033798 -0.0191 0.0468 0.4914 3086104 TimTec1_005085 Clc1nc(nc2sc3CCCCc3c12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H04 compound treatment 0.038 0.026374 0.1375 0.102 0.08173 0.4542 0.073 0.05062 0.2863 0.5069 0.9146 3212078 TimTec1_005086 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3)C2=O)/c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H05 compound treatment 0.043 0.031374 0.1635 -0.024 -0.04427 -0.246 0.067 0.04462 0.2523 0.0981 0.2524 1072337 TimTec1_005087 CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H06 compound treatment 0.07 0.058374 0.3043 0.042 0.02173 0.1208 0.206 0.18362 1.0384 0.8449 0.776 1560027 TimTec1_005088 Cc1ccccc1C(=O)Nc2cc3CCCCc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H07 compound treatment 0.426 0.41437 2.1598 0.089 0.06873 0.3819 0.189 0.16662 0.9423 2.0115 0.8426 3086107 TimTec1_005089 OC(=O)c1ccc(/N=C/c2cccnc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H08 compound treatment 0.727 0.71537 3.7287 -0.141 -0.16127 -0.8962 -0.052 -0.07438 -0.4206 1.3925 0.3609 1735547 TimTec1_005090 O=C1CCC(=O)N1c2ccc3c(c2)oc4ccccc43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H09 compound treatment -0.006 -0.017626 -0.0919 0.061 0.04073 0.2263 0.151 0.12862 0.7274 0.4976 0.6485 1148656 TimTec1_005091 COc1ccccc1C(C2=C(COC2=O)OC(=O)C)c3cc4OCOc4cc3OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H10 compound treatment 0.246 0.23437 1.2216 0.095 0.07473 0.4153 0.183 0.16062 0.9083 1.4695 0.9313 3212079 TimTec1_005092 Fc1ccccc1NC(=O)CSCC(=O)Nc2ccc3ccccc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H11 compound treatment 0.221 0.20937 1.0913 0.424 0.40373 2.2436 0.594 0.57162 3.2326 3.7918 0.9286 1232879 TimTec1_005093 COc1ccc(cc1)C(N2CCOCC2)c3cc4OCOc4cc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H12 compound treatment 0.141 0.12937 0.6743 0.115 0.09473 0.5264 -0.085 -0.10738 -0.6073 0.3427 0.3266 1704797 TimTec1_005094 O=C(CCc1ccccc1)N2CCN(CC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H13 compound treatment 0.054 0.042374 0.2209 -0.006 -0.02627 -0.146 0.148 0.12562 0.7104 0.4534 0.598 1531317 TimTec1_005095 CCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H14 compound treatment -0.033 -0.044626 -0.2326 0.067 0.04673 0.2597 -0.069 -0.09138 -0.5168 -0.2827 -0.4535 1213903 TimTec1_005096 CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(OCc3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H15 compound treatment 0.1 0.088374 0.4606 -0.134 -0.15427 -0.8573 -0.051 -0.07338 -0.415 -0.4686 -0.4429 3212080 TimTec1_005097 CSc1nc(N)c(C#N)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H16 compound treatment 0.122 0.11037 0.5753 0.083 0.06273 0.3486 0.097 0.07462 0.422 0.777 0.9786 1603630 TimTec1_005098 CCOC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H17 compound treatment 0.048 0.036374 0.1896 -0.261 -0.28127 -1.5631 0.017 -0.0053798 -0.0304 -0.8105 -0.5147 1625154 TimTec1_005099 CCn1c(=O)c(C(=O)NC)c(O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H18 compound treatment 0.036 0.024374 0.127 -0.143 -0.16327 -0.9073 -0.368 -0.39038 -2.2077 -1.7251 -0.7217 3212081 TimTec1_005100 COc1ccc(c2n[nH]c(C)c2Oc3ccccc3)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H19 compound treatment -0.045 -0.056626 -0.2951 0.301 0.28073 1.5601 -0.091 -0.11338 -0.6412 0.3601 0.2103 1424497 TimTec1_005101 CCOC(=O)C1=C(C)NC(=O)NC1c2c(Cl)nc3c(C)cccn3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H20 compound treatment 0.094 0.082374 0.4294 0.167 0.14673 0.8154 0.229 0.20662 1.1685 1.3933 0.9363 3212082 TimTec1_005102 COc1ccc(/C=N/C2=NNC(=O)CS2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H21 compound treatment -0.089 -0.10063 -0.5245 -0.012 -0.03227 -0.1793 0.082 0.05962 0.3372 -0.2117 -0.3263 1547308 TimTec1_005103 CC(C)(C)c1ccc(cc1)C(=O)CC(SC2CCCCC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H22 compound treatment -0.063 -0.074626 -0.389 0.277 0.25673 1.4267 0.218 0.19562 1.1063 1.2378 0.6703 3212083 TimTec1_005104 COc1ccc(/C=N/C2=NNC(=CS2)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H23 mock treatment 0.07 0.058374 0.3043 -0.07 -0.09027 -0.5016 0.044 0.02162 0.1223 -0.0434 -0.0724 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 H24 mock treatment 0.03 0.018374 0.0958 0.063 0.04273 0.2375 0.048 0.02562 0.1449 0.276 0.9383 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I01 compound treatment -0.264 -0.27563 -1.4366 0.186 0.16573 0.921 -0.379 -0.40138 -2.2699 -1.6082 -0.5663 1210543 TimTec1_005105 O=C(c1ccccc1)C2(OCCCCO2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I02 compound treatment -0.354 -0.36563 -1.9057 -0.14 -0.16027 -0.8906 -0.231 -0.25338 -1.4329 -2.4418 -0.9593 3212084 TimTec1_005106 CN1C(=O)/C(=C\NC(=O)C)/C(=C(C#N)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I03 compound treatment -0.095 -0.10663 -0.5558 0.135 0.11473 0.6376 0.073 0.05062 0.2863 0.2125 0.238 1253003 TimTec1_005107 COC(C)OC(=O)Cn1c(=O)sc2cccc(Cl)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I04 compound treatment 0.126 0.11437 0.5961 -0.231 -0.25127 -1.3963 0.072 0.04962 0.2806 -0.3 -0.1943 1054992 TimTec1_005108 Brc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I05 compound treatment 0.019 0.0073745 0.0384 -0.025 -0.04527 -0.2516 0.191 0.16862 0.9536 0.4275 0.4331 3212085 TimTec1_005109 Cc1ccccc1Nc2cc(C)c(C#N)c3nc4ccccc4n23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I06 compound treatment -0.034 -0.045626 -0.2378 -0.067 -0.08727 -0.485 0.084 0.06162 0.3485 -0.2161 -0.3362 1286333 TimTec1_005110 CCn1c2ccccc2c3cc(CN(C)Cc4ccccc4)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I07 compound treatment 0.078 0.066374 0.346 -0.118 -0.13827 -0.7684 0.369 0.34662 1.9602 0.8878 0.4161 1318051 TimTec1_005111 COc1ccc2OCc3ccccc3C(O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I08 compound treatment -0.071 -0.082626 -0.4307 0.059 0.03873 0.2152 -0.006 -0.02838 -0.1605 -0.217 -0.4277 1348090 TimTec1_005112 CN(C)CCN(Cc1ccsc1)Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I09 compound treatment 0.045 0.033374 0.174 0.1 0.07973 0.4431 -0.016 -0.03838 -0.217 0.2309 0.4414 1334512 TimTec1_005113 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C34CC5CC4CCC(C5)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I10 compound treatment 0.293 0.28137 1.4666 0.485 0.46473 2.5826 0.962 0.93962 5.3137 5.4057 0.888 1920628 TimTec1_005114 CN1/C(=C/C(=O)c2ccco2)/Sc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I11 compound treatment -0.28 -0.29163 -1.52 -0.179 -0.19927 -1.1074 -0.102 -0.12438 -0.7034 -1.923 -0.9578 3086180 TimTec1_005115 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I12 compound treatment 0.043 0.031374 0.1635 -0.079 -0.09927 -0.5517 -0.042 -0.06438 -0.3641 -0.4343 -0.6378 3212145 TimTec1_005116 CCOc1ccc(cc1)c2n[nH]c(=S)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I13 compound treatment 0.048 0.036374 0.1896 -0.246 -0.26627 -1.4797 0.071 0.04862 0.275 -0.5861 -0.3864 3086182 TimTec1_005117 O=C(Nn1cnnc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I14 compound treatment 0.051 0.039374 0.2052 -0.233 -0.25327 -1.4075 0.118 0.09562 0.5408 -0.3819 -0.251 3212146 TimTec1_005118 CCOc1ccc(/C=C/C(=O)Sc2ccc(Cl)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I15 compound treatment 0.156 0.14437 0.7525 0.086 0.06573 0.3653 -0.01 -0.03238 -0.1831 0.5396 0.6302 1487889 TimTec1_005119 OC(CNCN1C(=O)c2ccccc2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I16 compound treatment -0.013 -0.024626 -0.1284 -0.026 -0.04627 -0.2571 -0.049 -0.07138 -0.4037 -0.4556 -0.9195 3212147 TimTec1_005120 Cc1cc(C)c(C#N)c(SCC=C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I17 compound treatment 0.05 0.038374 0.2 -0.026 -0.04627 -0.2571 -0.064 -0.08638 -0.4885 -0.315 -0.5365 1921119 TimTec1_005121 CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I18 compound treatment -0.071 -0.082626 -0.4307 -0.135 -0.15527 -0.8629 -0.115 -0.13738 -0.7769 -1.1954 -0.9653 3086186 TimTec1_005122 CS/C(=N\C#N)/NC1CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I19 compound treatment 0.215 0.20337 1.06 0.068 0.04773 0.2652 0.22 0.19762 1.1176 1.4104 0.9023 3212148 TimTec1_005123 O=C/1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I20 compound treatment 1.385 1.3734 6.0483 -0.013 -0.03327 -0.1849 1.209 1.1866 6.1009 6.9076 0.8039 1623935 TimTec1_005124 CCN(CC)c1ccc(N=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I21 compound treatment -0.02 -0.031626 -0.1648 0.036 0.01573 0.0874 -0.041 -0.06338 -0.3584 -0.2516 -0.6227 3086189 TimTec1_005125 COCCN1C(=O)/C(=C\c2ccc3OCOc3c2)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I22 compound treatment -0.057 -0.068626 -0.3577 0.012 -0.00827 -0.046 0.063 0.04062 0.2297 -0.1004 -0.2349 3212149 TimTec1_005126 COc1cc2CC[C@H](NC(=O)C(F)(F)F)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I23 mock treatment 0.132 0.12037 0.6274 -0.052 -0.07227 -0.4016 -0.013 -0.03538 -0.2001 0.0149 0.0193 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 I24 mock treatment 0.063 0.051374 0.2678 0.096 0.07573 0.4208 -0.027 -0.04938 -0.2793 0.2363 0.4134 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J01 compound treatment 0.007 -0.0046255 -0.0241 -0.129 -0.14927 -0.8295 1.11 1.0876 5.8428 2.8805 0.4881 3086191 TimTec1_005127 CC(C)C1CCC(C)CC1OC(=O)CN2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J02 compound treatment -0.101 -0.11263 -0.587 -0.007 -0.02727 -0.1515 -0.172 -0.19438 -1.0993 -1.0611 -0.8452 1218294 TimTec1_005128 CC(C)(C)C(=O)NC(=S)Nc1cccc(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J03 compound treatment -0.112 -0.12363 -0.6444 -0.17 -0.19027 -1.0574 0.007 -0.01538 -0.087 -1.0327 -0.832 1240106 TimTec1_005129 C(Nc1ncnc2sc3CCCCc3c12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J04 compound treatment 0.035 0.023374 0.1218 0.235 0.21473 1.1933 0.114 0.09162 0.5181 1.0584 0.8101 1554580 TimTec1_005130 Ic1ccccc1NC(=O)C2CN(C(=O)C2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J05 compound treatment 0.132 0.12037 0.6274 0.019 -0.00127 -0.0071 0.131 0.10862 0.6143 0.7128 0.8118 3212150 TimTec1_005131 OC(=O)C(Cc1c[nH]cn1)/N=C/c2cccc(CC=C)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J06 compound treatment 0.117 0.10537 0.5492 -0.415 -0.43527 -2.4189 0.058 0.03562 0.2014 -0.9631 -0.387 1532567 TimTec1_005132 CCCOc1ccccc1C2NC(=S)NC(=C2C(=O)OC3CCCC(C)C3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J07 compound treatment 0.02 0.0083745 0.0436 0.141 0.12073 0.6709 -0.021 -0.04338 -0.2453 0.2709 0.3785 3086259 TimTec1_005133 O=S(=O)(C1CCS(=O)(=O)C1)C2CCS(=O)(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J08 compound treatment -0.036 -0.047626 -0.2482 -0.024 -0.04427 -0.246 0.224 0.20162 1.1402 0.3729 0.3127 1186821 TimTec1_005134 Cc1cc(C)c(NC(=O)C2CC3C4C=CC=CC4C2c5ccccc35)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J09 compound treatment 0.321 0.30937 1.6125 0.019 -0.00127 -0.0071 0.135 0.11262 0.6369 1.2946 0.7467 3212151 TimTec1_005135 COc1ccccc1C2C(C)C(C)(O)Oc3cc4OCOc4cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J10 compound treatment 0.115 0.10337 0.5388 0.851 0.83073 4.6165 0.123 0.10062 0.569 3.3049 0.7058 1139775 TimTec1_005136 Cc1cc(C(=O)O)c(CSc2ncn[nH]2)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J11 compound treatment 0.0 -0.011626 -0.0606 -0.121 -0.14127 -0.7851 0.006 -0.01638 -0.0926 -0.5417 -0.6833 1141408 TimTec1_005137 Cc1ccccc1Cn2cnc3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J12 compound treatment 0.128 0.11637 0.6066 -0.084 -0.10427 -0.5794 0.038 0.01562 0.0883 0.0667 0.079 1449011 TimTec1_005138 Cc1ccc(N2C(=O)CC(=O)N(C2=O)c3ccc(C)cc3C)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J13 compound treatment 1.348 1.3364 5.9739 1.539 1.5187 6.7178 0.173 0.15062 0.8518 7.8193 0.8659 1586155 TimTec1_005139 CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccn3)C(=O)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J14 compound treatment 0.07 0.058374 0.3043 -0.048 -0.06827 -0.3794 -0.045 -0.06738 -0.381 -0.2634 -0.4263 3086263 TimTec1_005140 CC(C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J15 compound treatment -0.02 -0.031626 -0.1648 0.014 -0.00627 -0.0348 0.11 0.08762 0.4955 0.1708 0.3263 1332067 TimTec1_005141 CCOC(=O)c1c(C)oc(NC(=O)Nc2ccc(F)cc2)c1C(=O)OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J16 compound treatment 0.066 0.054374 0.2834 0.008 -0.01227 -0.0682 0.156 0.13362 0.7556 0.5605 0.6921 1544744 TimTec1_005142 Cc1c(OCc2ccc(F)cc2)ccc3c4CCCCc4c(=O)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J17 compound treatment 0.131 0.11937 0.6222 -0.093 -0.11327 -0.6295 0.159 0.13662 0.7726 0.4419 0.3761 1496408 TimTec1_005143 CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J18 compound treatment 0.202 0.19037 0.9923 -0.025 -0.04527 -0.2516 0.109 0.08662 0.4899 0.7105 0.626 1851913 TimTec1_005144 CC(C)CC(N1C(=O)C2C(C3c4ccccc4C2c5ccccc35)C1=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J19 compound treatment -0.071 -0.082626 -0.4307 0.025 0.00473 0.0263 -0.014 -0.03638 -0.2057 -0.3522 -0.7369 1716165 TimTec1_005145 NC(=O)c1sc(=S)n(c1N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J20 compound treatment 0.11 0.098374 0.5128 -0.018 -0.03827 -0.2127 -0.026 -0.04838 -0.2736 0.0153 0.0247 3086267 TimTec1_005146 CC1SC(=NNC1=O)/N=C/c2ccc(F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J21 compound treatment -0.215 -0.22663 -1.1812 -0.019 -0.03927 -0.2182 -0.08 -0.10238 -0.579 -1.1422 -0.8566 3212152 TimTec1_005147 OC(=O)C(CC(=O)c1ccc(Cl)cc1)N(Cc2ccccc2)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J22 compound treatment -0.148 -0.15963 -0.832 -0.081 -0.10127 -0.5628 -0.026 -0.04838 -0.2736 -0.9632 -0.9252 3086269 TimTec1_005148 C=CCN1C(SC=C1c2ccccc2)/N=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J23 mock treatment 0.043 0.031374 0.1635 0.239 0.21873 1.2155 -0.019 -0.04138 -0.234 0.6611 0.5295 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 J24 mock treatment -0.036 -0.047626 -0.2482 0.065 0.04473 0.2486 -0.111 -0.13338 -0.7543 -0.4353 -0.5231 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K01 compound treatment -0.117 -0.12863 -0.6704 0.005 -0.01527 -0.0849 -0.02 -0.04238 -0.2397 -0.5744 -0.8011 1023027 TimTec1_005149 Oc1ccccc1C(=O)CC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K02 compound treatment 0.056 0.044374 0.2313 -0.012 -0.03227 -0.1793 -0.199 -0.22138 -1.2519 -0.6928 -0.5389 3212153 TimTec1_005150 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K03 compound treatment 0.01 -0.0016255 -0.0085 -0.077 -0.09727 -0.5405 -0.051 -0.07338 -0.415 -0.5566 -0.8167 3086271 TimTec1_005151 CC(C)NC(=O)C[n+]1csc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K04 compound treatment -0.084 -0.095626 -0.4984 -0.259 -0.27927 -1.5519 -0.159 -0.18138 -1.0257 -1.776 -0.9222 1118603 TimTec1_005152 CN1CCN(Cc2cc(Br)cs2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K05 compound treatment 0.083 0.071374 0.372 0.119 0.09873 0.5487 0.07 0.04762 0.2693 0.687 0.9602 3212154 TimTec1_005153 CC(O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K06 compound treatment 0.116 0.10437 0.544 0.018 -0.00227 -0.0126 0.519 0.49662 2.8085 1.9283 0.6741 3086274 TimTec1_005154 CN(Cc1ccccc1)Cc2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K07 compound treatment 0.144 0.13237 0.69 -0.036 -0.05627 -0.3127 0.229 0.20662 1.1685 0.8924 0.6409 3212155 TimTec1_005155 O=C(/C=C/c1cccc(Oc2ccccc2)c1)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K08 compound treatment -0.115 -0.12663 -0.66 -0.162 -0.18227 -1.0129 -0.173 -0.19538 -1.1049 -1.6038 -0.9792 1586101 TimTec1_005156 CN(C)CCN(Cc1ccccc1)Cc2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K09 compound treatment -0.011 -0.022626 -0.1179 0.18 0.15973 0.8876 0.006 -0.01638 -0.0926 0.3909 0.4342 1051443 TimTec1_005157 FC(F)(F)CN1C(=O)c2ccccc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K10 compound treatment -0.203 -0.21463 -1.1187 0.273 0.25273 1.4045 0.178 0.15562 0.8801 0.6731 0.3366 1698764 TimTec1_005158 COc1ccc(NCc2cn3ccccc3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K11 compound treatment -0.035 -0.046626 -0.243 -0.042 -0.06227 -0.346 -0.123 -0.14538 -0.8221 -0.8148 -0.8813 3212156 TimTec1_005159 N#CCCN1CCCC2(CCCC2)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K12 compound treatment 0.147 0.13537 0.7056 0.048 0.02773 0.1541 0.055 0.03262 0.1845 0.6029 0.8087 3212157 TimTec1_005160 O=C/1N=C(S\C1=C/c2cccs2)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K13 compound treatment -0.049 -0.060626 -0.316 -0.019 -0.03927 -0.2182 -0.069 -0.09138 -0.5168 -0.6068 -0.9425 1604720 TimTec1_005161 CCc1c(C)nc2ccccc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K14 compound treatment -0.048 -0.059626 -0.3108 0.082 0.06173 0.343 -0.04 -0.06238 -0.3528 -0.185 -0.318 3212158 TimTec1_005162 Cc1cc(C)cc(Nc2csc(N/C=N\O)n2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K15 compound treatment -0.026 -0.037626 -0.1961 -0.123 -0.14327 -0.7962 0.013 -0.0093798 -0.053 -0.6035 -0.7345 3086348 TimTec1_005163 OC(=O)c1ccccc1NCn2nnc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K16 compound treatment -0.146 -0.15763 -0.8216 -0.066 -0.08627 -0.4794 0.042 0.01962 0.111 -0.6871 -0.7174 3212159 TimTec1_005164 Clc1ccc(cc1)C2=CC=C(C#N)C(N2)SCc3nc4ccccc4[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K17 compound treatment -0.047 -0.058626 -0.3056 -0.12 -0.14027 -0.7795 -0.088 -0.11038 -0.6242 -0.9869 -0.945 1472272 TimTec1_005165 CNc1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K18 compound treatment -0.387 -0.39863 -2.0777 0.012 -0.00827 -0.046 -0.484 -0.50638 -2.8637 -2.8795 -0.8138 3086351 TimTec1_005166 CCCC1CCC(CC1)c2ccc(cc2)/C(=N/O)/N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K19 compound treatment 0.535 0.52337 2.728 -0.112 -0.13227 -0.735 0.563 0.54062 3.0573 2.9157 0.7004 3212160 TimTec1_005167 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C/3\SC(=S)N(Cc4ccccc4)C3=O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K20 compound treatment -0.031 -0.042626 -0.2222 -0.288 -0.30827 -1.7131 -0.175 -0.19738 -1.1162 -1.7618 -0.8566 1130551 TimTec1_005168 COc1ccc(cc1)N(C(=O)c2ccco2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K21 compound treatment -0.139 -0.15063 -0.7851 -0.012 -0.03227 -0.1793 -0.261 -0.28338 -1.6026 -1.4821 -0.8263 3212161 TimTec1_005169 FC(F)(F)c1ccccc1NC(NC(=O)c2ccco2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K22 compound treatment -0.035 -0.046626 -0.243 -0.071 -0.09127 -0.5072 -0.067 -0.08938 -0.5055 -0.725 -0.9587 1915266 TimTec1_005170 Cc1cc[n+](CCC(=O)O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K23 mock treatment 0.176 0.16437 0.8568 -0.012 -0.03227 -0.1793 -0.064 -0.08638 -0.4885 0.1091 0.1088 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 K24 mock treatment -0.005 -0.016626 -0.0867 0.136 0.11573 0.6431 0.083 0.06062 0.3428 0.5192 0.7074 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L01 compound treatment 0.197 0.18537 0.9662 0.061 0.04073 0.2263 0.166 0.14362 0.8122 1.1574 0.9026 1383984 TimTec1_005171 CCC1=CC(C)(CC)Nc2cc(C)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L02 compound treatment -0.013 -0.024626 -0.1284 -0.019 -0.03927 -0.2182 0.083 0.06062 0.3428 -0.0022 -0.0051 1409216 TimTec1_005172 COc1cc(cc(OC)c1OC)C(=O)N(C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L03 compound treatment -0.027 -0.038626 -0.2013 -0.036 -0.05627 -0.3127 0.101 0.07862 0.4446 -0.0401 -0.0691 1273531 TimTec1_005173 OCC(O)C1OC(OCC1O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L04 compound treatment 0.127 0.11537 0.6014 -0.018 -0.03827 -0.2127 0.164 0.14162 0.8009 0.6868 0.6708 1385587 TimTec1_005174 Cc1ccc(cc1)N2CC(CC2=O)C(=O)Nc3c(C)cccc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L05 compound treatment 0.976 0.96437 5.0265 1.236 1.2157 6.0713 0.625 0.60262 3.4079 8.3749 0.9753 3212235 TimTec1_005175 OC(=O)C(Cc1ccc(O)cc1)/N=C/c2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L06 compound treatment -0.21 -0.22163 -1.1552 0.055 0.03473 0.193 0.018 -0.0043798 -0.0248 -0.5698 -0.4864 3086357 TimTec1_005176 COC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L07 compound treatment 0.038 0.026374 0.1375 0.041 0.02073 0.1152 0.035 0.01262 0.0714 0.1871 0.9692 1333937 TimTec1_005177 O=S(=O)(C1CCS(=O)(=O)C1)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L08 compound treatment 0.147 0.13537 0.7056 0.026 0.00573 0.0318 0.186 0.16362 0.9253 0.96 0.8247 1533793 TimTec1_005178 Cc1ccc(NC(=O)C2C(C=CC(C2C(=O)O)c3ccccc3)c4ccccc4)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L09 compound treatment -0.045 -0.056626 -0.2951 -0.251 -0.27127 -1.5075 -0.012 -0.03438 -0.1944 -1.153 -0.7447 1611679 TimTec1_005179 COc1ccc(cc1)C(C2=C(O)CCCC2=O)c3cc4OCOc4cc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L10 compound treatment 0.264 0.25237 1.3154 0.151 0.13073 0.7265 0.359 0.33662 1.9036 2.278 0.9393 1081231 TimTec1_005180 O=C1N(C(=O)c2nccnc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L11 compound treatment 0.262 0.25037 1.305 0.13 0.10973 0.6098 0.203 0.18062 1.0214 1.6952 0.96 1700569 TimTec1_005181 CCOC(=O)C1=C(O)c2ccccc2NC(=O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L12 compound treatment -0.111 -0.12263 -0.6392 -0.122 -0.14227 -0.7906 -0.206 -0.22838 -1.2915 -1.5711 -0.9559 1371927 TimTec1_005182 Cc1cccc2c(cc(nc12)c3ccccc3)C(=O)NC(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L13 compound treatment -0.02 -0.031626 -0.1648 -0.047 -0.06727 -0.3738 -0.046 -0.06838 -0.3867 -0.5343 -0.9497 3086362 TimTec1_005183 Cc1cc2ncc(nc2cc1C)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L14 compound treatment 0.06 0.048374 0.2521 0.0 -0.02027 -0.1126 0.185 0.16262 0.9196 0.6115 0.6368 1442595 TimTec1_005184 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc3ccc(I)cc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L15 compound treatment -0.052 -0.063626 -0.3316 0.16 0.13973 0.7765 -0.019 -0.04138 -0.234 0.1217 0.1389 3086440 TimTec1_005185 CCOC(=O)/C(=C(/N)\c1cc2cccc(OC)c2oc1=O)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L16 compound treatment 0.128 0.11637 0.6066 0.12 0.09973 0.5542 0.131 0.10862 0.6143 1.0248 0.999 1612648 TimTec1_005186 CC1CCN(Cc2cc3c(cc(=O)oc3c(C)c2O)c4ccccc4)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L17 compound treatment -0.012 -0.023626 -0.1231 0.037 0.01673 0.093 -0.027 -0.04938 -0.2793 -0.1786 -0.5599 3212236 TimTec1_005187 Cn1cnnc1SCc2cccc(CSc3nncn3C)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L18 compound treatment 0.755 0.74337 3.8746 0.274 0.25373 1.41 0.347 0.32462 1.8358 4.111 0.9108 3086444 TimTec1_005188 CCN(CC)c1ccc(/N=C/c2ccc3ccccc3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L19 compound treatment 0.067 0.055374 0.2886 -0.061 -0.08127 -0.4516 0.062 0.03962 0.2241 0.0352 0.0607 1589064 TimTec1_005189 Clc1c(sc2ccccc12)C(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L20 compound treatment -0.117 -0.12863 -0.6704 0.087 0.06673 0.3708 0.219 0.19662 1.1119 0.469 0.3473 3212237 TimTec1_005190 CC1SC(=NNC1=O)/N=C/c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L21 compound treatment -0.04 -0.051626 -0.2691 -0.028 -0.04827 -0.2682 -0.075 -0.09738 -0.5507 -0.6282 -0.9389 3086447 TimTec1_005191 CC(NC(CC(=O)c1ccc(F)cc1)C(=O)O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L22 compound treatment -0.012 -0.023626 -0.1231 0.083 0.06273 0.3486 0.129 0.10662 0.603 0.4783 0.6762 1451936 TimTec1_005192 CCCc1cc(=O)oc2cc(OCc3ccccc3)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L23 mock treatment 0.073 0.061374 0.3199 -0.048 -0.06827 -0.3794 0.032 0.0096202 0.0544 -0.0029 -0.0059 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 L24 mock treatment 0.033 0.021374 0.1114 0.112 0.09173 0.5098 0.032 0.0096202 0.0544 0.39 0.7435 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M01 compound treatment 0.179 0.16737 0.8724 0.097 0.07673 0.4264 0.132 0.10962 0.6199 1.1078 0.9616 3086449 TimTec1_005193 CCOC(=O)CN1CCN(CC1)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M02 compound treatment 0.035 0.023374 0.1218 0.0 -0.02027 -0.1126 -0.007 -0.02938 -0.1661 -0.0906 -0.3859 3212238 TimTec1_005194 O=C(/C=C\Nc1cccc(N/C=C\C(=O)c2ccccc2)c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M03 compound treatment 0.265 0.25337 1.3206 -0.015 -0.03527 -0.196 -0.005 -0.02738 -0.1548 0.5599 0.4166 1445055 TimTec1_005195 Cc1ccccc1OC(=O)Cn2c(=O)sc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M04 compound treatment 0.013 0.0013745 0.0072 -0.036 -0.05627 -0.3127 0.052 0.02962 0.1675 -0.0797 -0.2246 1718720 TimTec1_005196 CN1CCN(Cc2coc3ccccc3c2=O)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M05 compound treatment 0.0 -0.011626 -0.0606 0.007 -0.01327 -0.0737 0.0 -0.02238 -0.1266 -0.1506 -0.9502 1415720 TimTec1_005197 OCC1Sc2ccccc2NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M06 compound treatment 0.011 -6.2552E-4 -0.0033 -0.148 -0.16827 -0.9351 0.099 0.07662 0.4333 -0.2916 -0.2829 1643885 TimTec1_005198 NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M07 compound treatment 0.197 0.18537 0.9662 0.0 -0.02027 -0.1126 0.305 0.28262 1.5983 1.4156 0.7566 3212239 TimTec1_005199 COc1ccc2c3CC[C@](C)(CCC(=O)O)C(=O)c3ccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M08 compound treatment 0.036 0.024374 0.127 1.124 1.1037 5.7898 0.105 0.08262 0.4672 3.6859 0.6344 3086453 TimTec1_005200 Cc1ccc(C(=O)Sc2nc(N)c(C#N)cc2C#N)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M09 compound treatment 0.013 0.0013745 0.0072 -0.096 -0.11627 -0.6461 -0.032 -0.05438 -0.3075 -0.5465 -0.7636 1212803 TimTec1_005201 CCOc1ccc2c(cc(=O)oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M10 compound treatment 0.158 0.14637 0.7629 0.139 0.11873 0.6598 0.07 0.04762 0.2693 0.9769 0.9357 3086455 TimTec1_005202 COc1ccc(cc1)c2cc(nc(=O)[nH]2)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M11 compound treatment 0.025 0.013374 0.0697 -0.121 -0.14127 -0.7851 -0.059 -0.08138 -0.4602 -0.6787 -0.7437 1222652 TimTec1_005203 CCc1cc2OCCOc2cc1C(=O)c3ccc(I)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M12 compound treatment -0.142 -0.15363 -0.8007 -0.23 -0.25027 -1.3908 -0.113 -0.13538 -0.7656 -1.7073 -0.9602 1107292 TimTec1_005204 CCC1SC2=NCCN2C1(O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M13 compound treatment -0.043 -0.054626 -0.2847 0.019 -0.00127 -0.0071 0.034 0.01162 0.0657 -0.1305 -0.4465 1431781 TimTec1_005205 CC1(C)CC2(CCCN(CCC(O)(c3ccccc3)c4ccccc4)C2)CCO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M14 compound treatment 0.067 0.055374 0.2886 -0.02 -0.04027 -0.2238 0.007 -0.01538 -0.087 -0.0128 -0.034 1622469 TimTec1_005206 CCCCn1c(nn(c1=O)S(=O)(=O)c2ccc(Br)cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M15 compound treatment 0.481 0.46937 2.4465 -0.013 -0.03327 -0.1849 0.212 0.18962 1.0723 1.9249 0.7189 1265308 TimTec1_005207 OC(=O)c1ccccc1C(=O)Nc2cccc3ncccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M16 compound treatment 0.024 0.012374 0.0645 -0.069 -0.08927 -0.4961 -0.075 -0.09738 -0.5507 -0.5671 -0.7623 3086459 TimTec1_005208 CSC1=Nc2ccccc2CN1c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M17 compound treatment -0.083 -0.094626 -0.4932 -0.061 -0.08127 -0.4516 0.012 -0.01038 -0.0587 -0.5794 -0.8631 3086461 TimTec1_005209 O=C(Nc1nc[nH]n1)Nc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M18 compound treatment 0.078 0.066374 0.346 -0.019 -0.03927 -0.2182 -0.066 -0.08838 -0.4998 -0.2148 -0.3326 1609905 TimTec1_005210 CCCC1CCC(CC1)c2ccc(cc2)C(=O)CCN(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M19 compound treatment -0.049 -0.060626 -0.316 0.075 0.05473 0.3041 0.087 0.06462 0.3654 0.2041 0.3576 3212240 TimTec1_005211 Cc1ccc(cc1)C(=O)N/C(=C\c2ccco2)/C(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M20 compound treatment 0.242 0.23037 1.2008 0.145 0.12473 0.6931 -0.042 -0.06438 -0.3641 0.8832 0.6162 3085449 TimTec1_005212 CC[C@@]1(C)N[C@@H](CS1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M21 compound treatment 0.013 0.0013745 0.0072 0.05 0.02973 0.1652 0.007 -0.01538 -0.087 0.0493 0.2639 1601693 TimTec1_005213 O=C(NC(Nc1cccc2ccccc12)C(=O)c3ccccc3)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M22 compound treatment -0.11 -0.12163 -0.6339 -0.042 -0.06227 -0.346 -0.033 -0.05538 -0.3132 -0.7466 -0.9484 1269343 TimTec1_005214 CC(CC(=O)c1ccccc1)CC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M23 mock treatment -0.019 -0.030626 -0.1596 -0.007 -0.02727 -0.1515 0.153 0.13062 0.7387 0.2468 0.3202 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 M24 mock treatment 0.028 0.016374 0.0853 0.09 0.06973 0.3875 0.035 0.01262 0.0714 0.3142 0.7794 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N01 compound treatment 0.071 0.059374 0.3095 0.197 0.17673 0.9821 0.21 0.18762 1.061 1.3583 0.9187 3085453 TimTec1_005215 Cc1cc(C)c(CC2C(=O)c3ccccc3C2=O)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N02 compound treatment -0.034 -0.045626 -0.2378 -0.104 -0.12427 -0.6906 0.162 0.13962 0.7896 -0.0801 -0.0745 1524336 TimTec1_005216 O=C(NCCc1nc2ccccc2[nH]1)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N03 compound treatment -0.079 -0.090626 -0.4724 -0.062 -0.08227 -0.4572 0.057 0.03462 0.1958 -0.4236 -0.6176 1139245 TimTec1_005217 O=C(Cc1ccccc1)c2ccc3OCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N04 compound treatment 0.09 0.078374 0.4085 0.082 0.06173 0.343 0.127 0.10462 0.5916 0.7755 0.9735 1718136 TimTec1_005218 O=c1oc2ccccc2cc1c3nnc(o3)c4cccc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N05 compound treatment 0.056 0.044374 0.2313 0.056 0.03573 0.1986 0.261 0.23862 1.3494 1.0273 0.7425 3085456 TimTec1_005219 CC1(C)CC(=O)C2C(=Nc3ccccc3N=C2c4ccccc4)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N06 compound treatment 0.034 0.022374 0.1166 0.024 0.00373 0.0207 0.0 -0.02238 -0.1266 0.0062 0.0359 1256766 TimTec1_005220 CC1N(c2cccc(C)c2)C3(CCCCC3)SC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N07 compound treatment -0.13 -0.14163 -0.7382 0.006 -0.01427 -0.0793 -0.043 -0.06538 -0.3697 -0.6854 -0.8264 1496277 TimTec1_005221 NC(=O)C(C1CCS(=O)(=O)C1)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N08 compound treatment 0.305 0.29337 1.5291 -0.046 -0.06627 -0.3683 -0.469 -0.49138 -2.7788 -0.9341 -0.2926 1400156 TimTec1_005222 NNC(=O)C1CCCN1S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N09 compound treatment 0.077 0.065374 0.3407 0.132 0.11173 0.6209 0.281 0.25862 1.4625 1.3996 0.8613 1525056 TimTec1_005223 COc1ccc(cc1)C2C3C(=O)CCCC3(O)Oc4cc5OCOc5cc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N10 compound treatment -0.086 -0.097626 -0.5088 0.136 0.11573 0.6431 0.128 0.10562 0.5973 0.4224 0.4163 1231285 TimTec1_005224 CCN(CC)c1ccc2cc(c3ncc(o3)c4ccc(F)cc4)c(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N11 compound treatment 0.019 0.0073745 0.0384 -0.088 -0.10827 -0.6017 -0.062 -0.08438 -0.4772 -0.6007 -0.7812 3212241 TimTec1_005225 COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N12 compound treatment -0.08 -0.091626 -0.4776 -0.091 -0.11127 -0.6183 0.113 0.09062 0.5125 -0.3369 -0.3605 1135918 TimTec1_005226 Oc1ccccc1C2=Nc3ncnn3C(C2)c4ccc(Cl)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N13 compound treatment -0.094 -0.10563 -0.5505 0.049 0.02873 0.1597 0.849 0.82662 4.6747 2.4733 0.5251 3212242 TimTec1_005227 CCC[n+]1ccc(cc1)c2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N14 compound treatment -0.044 -0.055626 -0.2899 -0.148 -0.16827 -0.9351 10.806 10.784 11.2675 5.798 0.5126 1154608 TimTec1_005228 CC(C)c1ccc(OC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N15 compound treatment 0.367 0.35537 1.8523 0.065 0.04473 0.2486 0.294 0.27162 1.5361 2.0998 0.868 3212243 TimTec1_005229 CCOC(=O)/C(=C(/N)\c1cc2cc(Br)cc(Br)c2oc1=O)/C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N16 compound treatment 0.262 0.25037 1.305 0.113 0.09273 0.5153 0.028 0.0056202 0.0318 1.0693 0.7619 1059298 TimTec1_005230 Cc1cc2oc(=O)c3CCCCc3c2c(O)c1CN4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N17 compound treatment -0.006 -0.017626 -0.0919 -0.101 -0.12127 -0.6739 0.024 0.0016202 0.0092 -0.4368 -0.6422 1365174 TimTec1_005231 NC(=O)CNC(=O)c1cccc(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N18 compound treatment -0.077 -0.088626 -0.4619 -0.034 -0.05427 -0.3016 -0.108 -0.13038 -0.7373 -0.8665 -0.941 3085464 TimTec1_005232 CC(N1C(=O)CCC1=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N19 compound treatment 0.077 0.065374 0.3407 -0.136 -0.15627 -0.8684 -0.073 -0.09538 -0.5394 -0.6161 -0.5717 3212244 TimTec1_005233 COC(=O)c1cc(Br)ccc1OC(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N20 compound treatment 0.139 0.12737 0.6639 -0.062 -0.08227 -0.4572 -0.129 -0.15138 -0.8561 -0.3749 -0.3188 3085466 TimTec1_005234 Oc1ccccc1/C=N/C2=NNC(=O)CS2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N21 compound treatment -0.14 -0.15163 -0.7903 -0.211 -0.23127 -1.2852 -0.139 -0.16138 -0.9126 -1.7252 -0.9784 3212245 TimTec1_005235 Cc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N22 compound treatment -0.051 -0.062626 -0.3264 -0.071 -0.09127 -0.5072 -0.094 -0.11638 -0.6581 -0.8613 -0.9648 1411087 TimTec1_005236 CCOC(=O)Cc1cc(=O)oc2cc(OCC)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N23 mock treatment -0.019 -0.030626 -0.1596 -0.059 -0.07927 -0.4405 0.046 0.02362 0.1336 -0.2694 -0.5529 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 N24 mock treatment -0.006 -0.017626 -0.0919 -0.099 -0.11927 -0.6628 0.019 -0.0033798 -0.0191 -0.4467 -0.6674 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O01 compound treatment 0.063 0.051374 0.2678 -0.02 -0.04027 -0.2238 0.106 0.08362 0.4729 0.2984 0.5078 3212318 TimTec1_005237 C=CCOC(=O)OCn1c(=O)sc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O02 compound treatment -0.124 -0.13563 -0.7069 -0.057 -0.07727 -0.4294 -0.064 -0.08638 -0.4885 -0.9381 -0.9766 3212319 TimTec1_005238 CCCCN1N=C(C)CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O03 compound treatment 0.018 0.0063745 0.0332 -0.047 -0.06727 -0.3738 0.204 0.18162 1.0271 0.3963 0.3625 3212320 TimTec1_005239 O=C(Cn1c(=O)sc2ccccc12)OC(C(=O)c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O04 compound treatment -0.006 -0.017626 -0.0919 -0.121 -0.14127 -0.7851 -0.096 -0.11838 -0.6695 -0.8928 -0.8619 1379879 TimTec1_005240 CN1CCN(Cc2ccc(NC(=O)C)cc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O05 compound treatment -0.048 -0.059626 -0.3108 -0.077 -0.09727 -0.5405 0.067 0.04462 0.2523 -0.3458 -0.5141 1721138 TimTec1_005241 CC1CN(CC2COC(C)(C)O2)CC(C)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O06 compound treatment 0.114 0.10237 0.5336 -0.421 -0.44127 -2.4522 0.092 0.06962 0.3937 -0.8804 -0.3466 1672440 TimTec1_005242 NC(=O)C1CCN(CC2CCC=CC2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O07 compound treatment 0.025 0.013374 0.0697 -0.052 -0.07227 -0.4016 0.21 0.18762 1.061 0.421 0.3704 1624424 TimTec1_005243 COc1cc2c3CCc4cn[nH]c4-c3ccc2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O08 compound treatment -0.121 -0.13263 -0.6913 -0.145 -0.16527 -0.9184 -0.109 -0.13138 -0.743 -1.3583 -0.9924 1736587 TimTec1_005244 Fc1ccc(cc1)C(=O)Oc2ccccc2c3cnc4ccccc4n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O09 compound treatment -0.093 -0.10463 -0.5453 0.0 -0.02027 -0.1126 -0.043 -0.06538 -0.3697 -0.5933 -0.8877 1502476 TimTec1_005245 CC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(Oc4ccccc4)coc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O10 compound treatment 0.355 0.34337 1.7897 0.361 0.34073 1.8935 0.267 0.24462 1.3834 2.9252 0.9916 1214549 TimTec1_005246 COc1cc(ccc1O)C2CS(=O)(=O)CS(=O)(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O11 compound treatment -0.106 -0.11763 -0.6131 -0.043 -0.06327 -0.3516 0.103 0.08062 0.4559 -0.2937 -0.3493 1679192 TimTec1_005247 O=C(c1cccs1)c2ccc3OCCCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O12 compound treatment 0.043 0.031374 0.1635 0.123 0.10273 0.5709 0.098 0.07562 0.4276 0.6709 0.9168 3086118 TimTec1_005248 FC(F)(F)c1ccc2c(Cl)ccnc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O13 compound treatment 0.082 0.070374 0.3668 0.204 0.18373 1.021 -0.177 -0.19938 -1.1275 0.1503 0.096 1449875 TimTec1_005249 CN(C)CCC(=O)c1ccc2OCCCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O14 compound treatment -0.146 -0.15763 -0.8216 0.085 0.06473 0.3597 -0.153 -0.17538 -0.9918 -0.8393 -0.6276 3086120 TimTec1_005250 S=c1[nH]c(ccc1C#N)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O15 compound treatment 0.04 0.028374 0.1479 -0.013 -0.03327 -0.1849 0.0 -0.02238 -0.1266 -0.0944 -0.3517 1687305 TimTec1_005251 O=C1N(C(=O)c2ccccc12)c3ccc4ncccc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O16 compound treatment -0.02 -0.031626 -0.1648 0.031 0.01073 0.0596 -0.067 -0.08938 -0.5055 -0.3526 -0.659 1675695 TimTec1_005252 CN1C2OC(=C(C#N)C(C2C(=O)N(C)C1=O)c3cccc(Br)c3)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O17 compound treatment -0.006 -0.017626 -0.0919 -0.036 -0.05627 -0.3127 0.082 0.05962 0.3372 -0.0389 -0.083 3086122 TimTec1_005253 O=C(/C=C/c1ccccc1)N2C(COC2=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O18 compound treatment -0.166 -0.17763 -0.9258 0.043 0.02273 0.1263 0.029 0.0066202 0.0374 -0.44 -0.4705 3212321 TimTec1_005254 CCN(CC)[P+](NC(=O)c1ccccc1)(N(CC)CC)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O19 compound treatment -0.149 -0.16063 -0.8372 -0.218 -0.23827 -1.3241 -0.034 -0.05638 -0.3188 -1.4319 -0.8957 3212322 TimTec1_005255 O=C(NC1CCCCC1)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O20 compound treatment 0.205 0.19337 1.0079 -0.023 -0.04327 -0.2405 -0.006 -0.02838 -0.1605 0.3504 0.3342 3086125 TimTec1_005256 O[C@@H]1CO[C@@H](Nc2ccccc2)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O21 compound treatment 0.248 0.23637 1.232 -0.073 -0.09327 -0.5183 -0.006 -0.02838 -0.1605 0.3194 0.2373 1457665 TimTec1_005257 OP(=O)(c1nc2ccccc2n1CC=C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O22 compound treatment 0.115 0.10337 0.5388 0.113 0.09273 0.5153 0.147 0.12462 0.7048 1.0155 0.9898 1597857 TimTec1_005258 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O23 mock treatment 0.099 0.087374 0.4554 0.168 0.14773 0.821 0.012 -0.01038 -0.0587 0.703 0.7474 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 O24 mock treatment 0.091 0.079374 0.4137 0.11 0.08973 0.4986 0.081 0.05862 0.3315 0.7181 0.9867 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P01 compound treatment -0.076 -0.087626 -0.4567 -0.176 -0.19627 -1.0907 0.209 0.18662 1.0554 -0.2841 -0.1792 3212323 TimTec1_005259 C[n+]1cn(NC(=O)c2ccc(cc2)C(=O)ON3C(=O)CCC3=O)cn1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P02 compound treatment 0.083 0.071374 0.372 0.029 0.00873 0.0485 -0.084 -0.10638 -0.6016 -0.1045 -0.1474 3212324 TimTec1_005260 OC(=O)C(Cc1ccccc1)NCc2c(O)ccc3c4CCCCc4c(=O)oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P03 compound treatment -0.048 -0.059626 -0.3108 -0.012 -0.03227 -0.1793 -0.06 -0.08238 -0.4659 -0.5519 -0.9386 1665007 TimTec1_005261 COc1ccc(CCC(=O)c2ccc3OCCOc3c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P04 compound treatment -0.012 -0.023626 -0.1231 0.012 -0.00827 -0.046 0.121 0.09862 0.5577 0.2244 0.3916 3212325 TimTec1_005262 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NN4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P05 compound treatment -0.085 -0.096626 -0.5036 -0.049 -0.06927 -0.3849 -0.007 -0.02938 -0.1661 -0.6089 -0.9292 3086129 TimTec1_005263 Oc1ccc(Cl)cc1/C=N/CCc2c[nH]c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P06 compound treatment -0.055 -0.066626 -0.3473 0.028 0.00773 0.043 -0.042 -0.06438 -0.3641 -0.3859 -0.7642 1176935 TimTec1_005264 CC(=O)Nc1cccc(NC(=O)N2CCOCC2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P07 compound treatment 0.093 0.081374 0.4241 -0.062 -0.08227 -0.4572 -0.11 -0.13238 -0.7486 -0.4513 -0.4632 3086130 TimTec1_005265 CN(N)P(=O)(c1ccccc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P08 compound treatment -0.006 -0.017626 -0.0919 0.297 0.27673 1.5378 0.048 0.02562 0.1449 0.9185 0.5936 3212326 TimTec1_005266 OC(=O)c1ccccc1C(=O)Nc2ccc(/C=C/c3ccccc3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P09 compound treatment 0.094 0.082374 0.4294 -0.027 -0.04727 -0.2627 0.0 -0.02238 -0.1266 0.0232 0.0446 1689960 TimTec1_005267 COc1ccc(cc1)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P10 compound treatment 0.128 0.11637 0.6066 0.142 0.12173 0.6765 -0.038 -0.06038 -0.3415 0.5436 0.5601 3212327 TimTec1_005268 CC(C)c1ccc(cc1)C2C(=C(N)SC(=C2C#N)N)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P11 compound treatment 0.203 0.19137 0.9975 0.155 0.13473 0.7487 0.289 0.26662 1.5078 1.8787 0.9601 1088185 TimTec1_005269 COc1cc2C=CN(C(C#N)c2cc1OC)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P12 compound treatment -0.009 -0.020626 -0.1075 -0.018 -0.03827 -0.2127 0.0 -0.02238 -0.1266 -0.2579 -0.9559 1306739 TimTec1_005270 CC(C)CNc1ncnc2sc3CCCCc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P13 compound treatment -0.097 -0.10863 -0.5662 0.025 0.00473 0.0263 0.106 0.08362 0.4729 -0.0387 -0.0524 1251200 TimTec1_005271 O=C1CC(N2CCCc3ccccc23)C(=O)N1c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P14 compound treatment 0.12 0.10837 0.5649 -0.024 -0.04427 -0.246 -0.056 -0.07838 -0.4433 -0.0718 -0.0946 1588848 TimTec1_005272 Cc1ccc(CNc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc4ccccc4C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P15 compound treatment -0.082 -0.093626 -0.488 0.038 0.01773 0.0985 0.132 0.10962 0.6199 0.1331 0.1673 1071878 TimTec1_005273 COc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P16 compound treatment 0.03 0.018374 0.0958 -0.146 -0.16627 -0.924 0.1 0.07762 0.439 -0.2247 -0.2187 1718803 TimTec1_005274 Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)cc3oc(=O)c4ccccc4c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P17 compound treatment -0.081 -0.092626 -0.4828 0.199 0.17873 0.9932 0.03 0.0076202 0.0431 0.3196 0.2892 1656249 TimTec1_005275 CCC(Cc1cccc(O)c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P18 compound treatment -0.06 -0.071626 -0.3733 0.065 0.04473 0.2486 -0.031 -0.05338 -0.3019 -0.2463 -0.4556 1501431 TimTec1_005276 Brc1ccc(cc1)N2C(=O)CC(Nc3c[nH]c(=O)[nH]c3=O)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P19 compound treatment -0.088 -0.099626 -0.5193 -0.146 -0.16627 -0.924 -0.122 -0.14438 -0.8165 -1.3047 -0.9751 3212328 TimTec1_005277 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)NC3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P20 compound treatment 0.037 0.025374 0.1323 0.26 0.23973 1.3322 -0.092 -0.11438 -0.6468 0.4721 0.3175 3086198 TimTec1_005278 Oc1ccccc1/C=N/C2=NNC(=CS2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P21 compound treatment 0.066 0.054374 0.2834 -0.099 -0.11927 -0.6628 0.075 0.05262 0.2976 -0.0472 -0.0606 3086200 TimTec1_005279 N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P22 compound treatment 0.281 0.26937 1.404 0.134 0.11373 0.632 -0.043 -0.06538 -0.3697 0.9621 0.6075 1555180 TimTec1_005280 CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2cc3oc(=O)c(Cl)c(C)c3cc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P23 mock treatment 0.215 0.20337 1.06 0.089 0.06873 0.3819 0.106 0.08362 0.4729 1.1055 0.9047 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2077 P24 mock treatment 0.006 -0.0056255 -0.0293 -0.006 -0.02627 -0.146 0.153 0.13062 0.7387 0.3253 0.4316 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A01 compound treatment -0.186 -0.19763 -1.0301 -0.069 -0.08927 -0.4961 -0.054 -0.07638 -0.4319 -1.1305 -0.925 3211440 TimTec1_005633 CC(=O)n1cc(/C=c\2/sc3nc4c(C)c(C)ccc4n3c2=O)c(n1)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A02 compound treatment 0.156 0.14437 0.7525 -0.013 -0.03327 -0.1849 0.029 0.0066202 0.0374 0.3493 0.4503 3085592 TimTec1_005634 Cc1nc(N)sc1c2csc(Nc3cccc(Cl)c3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A03 compound treatment 0.082 0.070374 0.3668 0.288 0.26773 1.4878 -0.17 -0.19238 -1.0879 0.4426 0.2355 3211529 TimTec1_005635 CCC(=O)N1N=C(CC1(O)c2ccc(F)cc2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A04 compound treatment 0.223 0.21137 1.1017 -0.163 -0.18327 -1.0185 0.113 0.09062 0.5125 0.344 0.2169 1419705 TimTec1_005636 CC1CCC(=C(C#N)C(=O)NCc2ccccc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A05 compound treatment 0.0 -0.011626 -0.0606 -0.075 -0.09527 -0.5294 0.031 0.0086202 0.0487 -0.3125 -0.584 1732858 TimTec1_005637 Fc1ccc2C(=O)N(C3CCCCCCC3)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A06 compound treatment -0.083 -0.094626 -0.4932 0.0 -0.02027 -0.1126 0.338 0.31562 1.7849 0.6807 0.3669 3211530 TimTec1_005638 Fc1ccc(cc1)C2Nc3ccc(OC(F)(F)F)cc3C4C=CCC42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A07 compound treatment -0.013 -0.024626 -0.1284 -0.054 -0.07427 -0.4127 -0.168 -0.19038 -1.0766 -0.934 -0.8051 1737054 TimTec1_005639 Nn1c(CO)nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A08 compound treatment 0.033 0.021374 0.1114 0.174 0.15373 0.8543 0.04 0.01762 0.0996 0.6151 0.7092 1175030 TimTec1_005640 CC(C)(O)c1cn2ccccc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A09 compound treatment 0.09 0.078374 0.4085 -0.012 -0.03227 -0.1793 -0.006 -0.02838 -0.1605 0.0397 0.0836 1364286 TimTec1_005641 COc1ccc(cc1)C(CC#N)C2CCOC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A10 compound treatment -0.043 -0.054626 -0.2847 -0.024 -0.04427 -0.246 -0.019 -0.04138 -0.234 -0.4415 -0.9964 1357576 TimTec1_005642 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A11 compound treatment 0.06 0.048374 0.2521 -0.046 -0.06627 -0.3683 0.019 -0.0033798 -0.0191 -0.0781 -0.1748 3211531 TimTec1_005643 CNC(=S)N(C)/N=C\1/C(=O)N(Cc2c(Cl)cccc2Cl)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A12 compound treatment 0.049 0.037374 0.1948 -0.028 -0.04827 -0.2682 0.021 -0.0013798 -0.0078 -0.0469 -0.1414 3085598 TimTec1_005644 CCc1nn2c(C)cc(O)nc2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A13 compound treatment -0.096 -0.10763 -0.561 0.072 0.05173 0.2875 -0.093 -0.11538 -0.6525 -0.5346 -0.5893 1530862 TimTec1_005645 C1Cc2c(C1)c3c(ccc4ccccc43)nc2c5cccs5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A14 compound treatment 0.075 0.063374 0.3303 0.014 -0.00627 -0.0348 -0.168 -0.19038 -1.0766 -0.451 -0.4003 1575017 TimTec1_005646 CC1CN(OC(O1)c2ccc3OCOc3c2)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A15 compound treatment 0.079 0.067374 0.3512 -0.081 -0.10127 -0.5628 -0.069 -0.09138 -0.5168 -0.4205 -0.5001 3085600 TimTec1_005647 OC(=O)C1CC(=O)N(Cc2ccccc2)/C(=N/c3ccc(F)cc3)/S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A16 compound treatment 0.12 0.10837 0.5649 0.245 0.22473 1.2489 0.085 0.06262 0.3541 1.2516 0.8841 1628881 TimTec1_005648 CCC(N)C1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A17 compound treatment 0.052 0.040374 0.2104 0.007 -0.01327 -0.0737 -0.177 -0.19938 -1.1275 -0.5721 -0.4977 3085602 TimTec1_005649 FC(F)(F)c1cccc(NCn2c(=S)oc3ccc(Cl)cc23)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A18 compound treatment 0.357 0.34537 1.8002 0.24 0.21973 1.2211 0.026 0.0036202 0.0205 1.7561 0.8073 1127153 TimTec1_005650 CC(C)c1ccccc1NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A19 compound treatment -0.203 -0.21463 -1.1187 -0.052 -0.07227 -0.4016 0.253 0.23062 1.3042 -0.1248 -0.0707 1348096 TimTec1_005651 CN(C)c1nc2n(C)c(=O)n(C)c(=O)c2n1CC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A20 compound treatment 0.103 0.091374 0.4763 0.212 0.19173 1.0655 0.006 -0.01638 -0.0926 0.8366 0.7146 1611764 TimTec1_005652 COC(=O)CCn1cc(F)c(N)nc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A21 compound treatment 0.222 0.21037 1.0965 0.009 -0.01127 -0.0626 0.031 0.0086202 0.0487 0.6251 0.5686 1564099 TimTec1_005653 CN(C)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A22 compound treatment 0.013 0.0013745 0.0072 -0.012 -0.03227 -0.1793 0.096 0.07362 0.4163 0.141 0.3109 1394944 TimTec1_005654 C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A23 mock treatment 0.065 0.053374 0.2782 0.064 0.04373 0.243 0.013 -0.0093798 -0.053 0.2703 0.7243 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 A24 mock treatment -0.022 -0.033626 -0.1753 0.014 -0.00627 -0.0348 -0.057 -0.07938 -0.4489 -0.3805 -0.7875 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B01 compound treatment 0.627 0.61537 3.2075 0.901 0.88073 4.8944 0.211 0.18862 1.0667 5.2934 0.8899 3211532 TimTec1_005655 SC1=NC(=O)/C(=C\c2cccnc2)/S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B02 compound treatment 0.11 0.098374 0.5128 0.074 0.05373 0.2986 -0.017 -0.03938 -0.2227 0.3398 0.5362 1491875 TimTec1_005656 COc1ccc(cc1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B03 compound treatment -0.236 -0.24763 -1.2907 -0.273 -0.29327 -1.6297 0.105 0.08262 0.4672 -1.4164 -0.6647 3085609 TimTec1_005657 Cc1nn(c(O)c1CCC#N)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B04 compound treatment -0.055 -0.066626 -0.3473 -0.116 -0.13627 -0.7573 -0.076 -0.09838 -0.5564 -0.9589 -0.9572 3211533 TimTec1_005658 FC(F)(F)C(NCC1(CC2CC3CC(C2)C1)C3)(NC(=O)c4ccccc4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B05 compound treatment -0.078 -0.089626 -0.4671 -0.21 -0.23027 -1.2796 0.253 0.23062 1.3042 -0.2555 -0.1355 3085612 TimTec1_005659 COc1cc(NC=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B06 compound treatment -0.034 -0.045626 -0.2378 -0.05 -0.07027 -0.3905 0.032 0.0096202 0.0544 -0.3313 -0.7196 3085613 TimTec1_005660 Cc1cc(cc(C)c1O)C(O)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B07 compound treatment 0.0 -0.011626 -0.0606 -0.13 -0.15027 -0.8351 0.076 0.05362 0.3032 -0.342 -0.3841 3211534 TimTec1_005661 FC(F)(F)c1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B08 compound treatment -0.171 -0.18263 -0.9519 -0.183 -0.20327 -1.1296 -0.007 -0.02938 -0.1661 -1.2977 -0.873 1339353 TimTec1_005662 CCc1ccc(cc1)C(=O)c2c(c(c3cc(ccn23)C(C)(C)C)S(=O)(=O)CC)S(=O)(=O)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B09 compound treatment -0.115 -0.12663 -0.66 -0.218 -0.23827 -1.3241 -0.112 -0.13438 -0.7599 -1.5843 -0.9525 1735427 TimTec1_005663 CC1(C)CC(=O)CC(C)(C)N1OC(=O)c2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B10 compound treatment -0.216 -0.22763 -1.1864 0.066 0.04573 0.2541 0.045 0.02262 0.1279 -0.4644 -0.3806 1503527 TimTec1_005664 CCC(NC(=O)c1ccc(cc1)S(=O)(=O)N2CCOCC2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B11 compound treatment 1.199 1.1874 5.6511 1.06 1.0397 5.6164 1.484 1.4616 6.7181 10.384 0.9964 1555325 TimTec1_005665 CCOc1ccccc1NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B12 compound treatment -0.024 -0.035626 -0.1857 -0.111 -0.13127 -0.7295 -0.151 -0.17338 -0.9805 -1.0945 -0.8854 3085617 TimTec1_005666 COc1ccc(/C=N/n2c(=O)c(nn3cnnc23)C(C)(C)C)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B13 compound treatment -0.058 -0.069626 -0.3629 0.145 0.12473 0.6931 -0.007 -0.02938 -0.1661 0.0947 0.1184 1402991 TimTec1_005667 Cc1ccc(Oc2cc(C#N)c(C#N)cc2n3nnc4ccccc34)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B14 compound treatment -0.106 -0.11763 -0.6131 -0.007 -0.02727 -0.1515 0.069 0.04662 0.2636 -0.2892 -0.4226 3085619 TimTec1_005668 CC/N=C\1/S/C(=C/c2sccc2C)/C(=O)N1CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B15 compound treatment -0.169 -0.18063 -0.9415 -0.034 -0.05427 -0.3016 0.28 0.25762 1.4569 0.1235 0.0701 1257857 TimTec1_005669 OC1=C(C(C#Cc2ccccc2)C3=C(O)CCCC3=O)C(=O)CCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B16 compound treatment -0.162 -0.17363 -0.905 -0.101 -0.12127 -0.6739 0.154 0.13162 0.7443 -0.4818 -0.3565 1631021 TimTec1_005670 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3c(C)ccc4nsnc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B17 compound treatment 0.211 0.19937 1.0392 0.106 0.08573 0.4764 0.073 0.05062 0.2863 1.0403 0.8828 1219783 TimTec1_005671 COc1ccc(cc1)N2C(=O)NC(=O)C(Cc3ccc(O)c(OC)c3)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B18 compound treatment 0.241 0.22937 1.1956 0.025 0.00473 0.0263 -0.013 -0.03538 -0.2001 0.5899 0.4865 3211535 TimTec1_005672 Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2)n[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B19 compound treatment 0.075 0.063374 0.3303 -0.018 -0.03827 -0.2127 -0.201 -0.22338 -1.2633 -0.6614 -0.5 1033315 TimTec1_005673 Cc1cc(C)n(n1)C(=S)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B20 compound treatment -0.042 -0.053626 -0.2795 -0.012 -0.03227 -0.1793 -0.012 -0.03438 -0.1944 -0.3772 -0.9801 3085624 TimTec1_005674 CSc1snc(O)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B21 compound treatment 0.057 0.045374 0.2365 -0.214 -0.23427 -1.3019 -0.222 -0.24438 -1.382 -1.413 -0.7385 3211536 TimTec1_005675 CCc1ccc(cc1)C2=Nn3c(C)nnc3SC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B22 compound treatment -0.155 -0.16663 -0.8685 -0.018 -0.03827 -0.2127 -0.073 -0.09538 -0.5394 -0.9356 -0.896 3085626 TimTec1_005676 O=C(Nc1cccc(c1)c2nnc(o2)c3ccco3)C(c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B23 mock treatment -0.096 -0.10763 -0.561 0.0 -0.02027 -0.1126 0.039 0.01662 0.094 -0.3346 -0.5771 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 B24 mock treatment -0.047 -0.058626 -0.3056 0.096 0.07573 0.4208 0.147 0.12462 0.7048 0.4734 0.5405 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C01 compound treatment 0.007 -0.0046255 -0.0241 -0.194 -0.21427 -1.1907 0.029 0.0066202 0.0374 -0.6798 -0.5705 1675170 TimTec1_005677 C(Oc1cccc(c1)c2nnc3ccc4ccccc4n23)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C02 compound treatment -0.108 -0.11963 -0.6235 -0.096 -0.11627 -0.6461 0.035 0.01262 0.0714 -0.6918 -0.7681 1346658 TimTec1_005678 Fc1ccccc1C2Nc3ccc4ccccc4c3C5C=CCC52 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C03 compound treatment -0.069 -0.080626 -0.4202 -0.074 -0.09427 -0.5239 0.048 0.02562 0.1449 -0.4614 -0.6716 3085628 TimTec1_005679 COC(C)n1cc(Br)c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C04 compound treatment 0.132 0.12037 0.6274 -0.052 -0.07227 -0.4016 0.154 0.13162 0.7443 0.5601 0.5319 1681244 TimTec1_005680 Cc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C05 compound treatment 0.025 0.013374 0.0697 -0.176 -0.19627 -1.0907 -0.047 -0.06938 -0.3924 -0.816 -0.7027 3085667 TimTec1_005681 Fc1ccc2C(=O)N(N3CCOCC3)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C06 compound treatment 0.082 0.070374 0.3668 0.037 0.01673 0.093 0.031 0.0086202 0.0487 0.2936 0.7695 1270347 TimTec1_005682 Cn1c(=N)n(CC(=O)C2(CC3CC4CC(C3)C2)C4)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C07 compound treatment 0.081 0.069374 0.3616 0.0 -0.02027 -0.1126 0.085 0.06262 0.3541 0.3482 0.6715 1454435 TimTec1_005683 CSc1nc2-c3ccccc3CC(C)(C)c2c(=O)n1Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C08 compound treatment 0.052 0.040374 0.2104 -0.14 -0.16027 -0.8906 0.067 0.04462 0.2523 -0.247 -0.2602 1371600 TimTec1_005684 Cc1ccc(cc1)C(=O)Cn2c(=N)n(C)c3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C09 compound treatment -0.212 -0.22363 -1.1656 -0.083 -0.10327 -0.5739 0.065 0.04262 0.241 -0.8651 -0.6547 1605543 TimTec1_005685 CSC1=NC2(Cc3ccccc13)CCCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C10 compound treatment 0.012 3.7448E-4 0.002 0.033 0.01273 0.0707 0.073 0.05062 0.2863 0.2072 0.7028 1564745 TimTec1_005686 CC(C)(O)C#Cc1ccc(cc1)C(=O)NCC(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C11 compound treatment 0.197 0.18537 0.9662 -0.055 -0.07527 -0.4183 0.075 0.05262 0.2976 0.4882 0.4462 3085653 TimTec1_005687 O=C(Nc1ccccc1)OCC23COC(N3C(OC2)c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C12 compound treatment -0.018 -0.029626 -0.1544 -0.067 -0.08727 -0.485 -0.006 -0.02838 -0.1605 -0.4618 -0.8654 1696532 TimTec1_005688 O=C1N(C(Nc2ccccc12)c3cccs3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C13 compound treatment -0.029 -0.040626 -0.2117 -0.014 -0.03427 -0.1904 -0.179 -0.20138 -1.1388 -0.8897 -0.7579 3211537 TimTec1_005689 Cc1ccc(/N=C/2\NC(=O)C(Cc3cccc(c3)C(F)(F)F)S2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C14 compound treatment -0.147 -0.15863 -0.8268 -0.066 -0.08627 -0.4794 -0.134 -0.15638 -0.8844 -1.2647 -0.9713 1190215 TimTec1_005690 CC(C1Nc2ccccc2C(=O)N1c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C15 compound treatment -0.091 -0.10263 -0.5349 0.087 0.06673 0.3708 0.349 0.32662 1.8471 0.9717 0.4962 1378935 TimTec1_005691 CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc3CCCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C16 compound treatment -0.033 -0.044626 -0.2326 0.038 0.01773 0.0985 0.21 0.18762 1.061 0.5352 0.4907 1327450 TimTec1_005692 CCC(=O)Nc1nonc1c2nc3ccccc3n2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C17 compound treatment 0.018 0.0063745 0.0332 -0.148 -0.16827 -0.9351 -0.153 -0.17538 -0.9918 -1.0933 -0.8018 3211622 TimTec1_005693 CCC(=O)NC(Nc1sc2CCCCc2c1C#N)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C18 compound treatment -0.01 -0.021626 -0.1127 -0.012 -0.03227 -0.1793 0.5 0.47762 2.701 1.3908 0.5133 1168333 TimTec1_005694 CC(C)CCN1NC2(CCCCC2)NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C19 compound treatment 0.127 0.11537 0.6014 -0.023 -0.04327 -0.2405 0.039 0.01662 0.094 0.2626 0.4013 3211623 TimTec1_005695 CN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(C2)c4ccc(C)c(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C20 compound treatment 0.149 0.13737 0.716 -0.034 -0.05427 -0.3016 0.163 0.14062 0.7952 0.6984 0.6282 1532646 TimTec1_005696 Cn1nccc1C(=O)NCCN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C21 compound treatment 0.075 0.063374 0.3303 1.783 1.7627 7.1444 1.8 1.7776 7.2894 8.5241 0.8347 1534811 TimTec1_005697 COc1c(O)ccc2c(OC)c3ccoc3nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C22 compound treatment 0.06 0.048374 0.2521 0.074 0.05373 0.2986 0.101 0.07862 0.4446 0.5747 0.9708 3085660 TimTec1_005698 Cn1c2ccccc2c3nnc(SCc4ccc(F)cc4Cl)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C23 mock treatment -0.06 -0.071626 -0.3733 0.024 0.00373 0.0207 0.062 0.03962 0.2241 -0.0742 -0.1703 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 C24 mock treatment -0.038 -0.049626 -0.2587 0.325 0.30473 1.6934 -0.018 -0.04038 -0.2284 0.6965 0.403 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D01 compound treatment -0.028 -0.039626 -0.2065 -0.027 -0.04727 -0.2627 0.127 0.10462 0.5916 0.0707 0.104 3211624 TimTec1_005699 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3ccc(OC(F)(F)F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D02 compound treatment 0.027 0.015374 0.0801 0.058 0.03773 0.2097 0.046 0.02362 0.1336 0.2444 0.9358 3085662 TimTec1_005700 C(Sc1ncn[nH]1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D03 compound treatment -0.105 -0.11663 -0.6079 0.032 0.01173 0.0652 0.166 0.14362 0.8122 0.1556 0.1531 3211625 TimTec1_005701 Cc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccccc4)/S2)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D04 compound treatment -0.024 -0.035626 -0.1857 -0.142 -0.16227 -0.9018 -0.054 -0.07638 -0.4319 -0.8772 -0.8626 3085663 TimTec1_005702 FC(F)(F)C(NCCc1c[nH]c2ccccc12)(NC(=O)c3ccccc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D05 compound treatment 0.0 -0.011626 -0.0606 -0.286 -0.30627 -1.702 -0.181 -0.20338 -1.1502 -1.6817 -0.8183 3211626 TimTec1_005703 CCC1(C)OC(=Nc2ccccc21)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D06 compound treatment 0.16 0.14837 0.7734 0.079 0.05873 0.3264 0.064 0.04162 0.2354 0.7708 0.8842 1384761 TimTec1_005704 Oc1ccc(NC2=C(C(=O)c3ccccc3C2=O)n4nnc5ccccc45)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D07 compound treatment 0.054 0.042374 0.2209 -0.069 -0.08927 -0.4961 0.306 0.28362 1.6039 0.7671 0.453 1725838 TimTec1_005705 CSc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ccc5ccccc5c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D08 compound treatment 0.164 0.15237 0.7942 0.07 0.04973 0.2764 0.236 0.21362 1.2081 1.3156 0.8938 1630880 TimTec1_005706 Cn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D09 compound treatment 0.018 0.0063745 0.0332 -0.074 -0.09427 -0.5239 -0.071 -0.09338 -0.5281 -0.5882 -0.7899 1339859 TimTec1_005707 COc1cc2ccccc2cc1C(=O)NCCC3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D10 compound treatment 0.063 0.051374 0.2678 -0.062 -0.08227 -0.4572 0.061 0.03862 0.2184 0.0167 0.0292 1488964 TimTec1_005708 CC(C)(C)c1ccc(cc1)C23OC(=O)C(C)(C)C3OC(=O)C2(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D11 compound treatment 1.833 1.8214 6.8075 1.711 1.6907 7.0258 1.727 1.7046 7.1681 12.1252 0.9998 1458934 TimTec1_005709 C1CN(CCN1)C2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D12 compound treatment -0.076 -0.087626 -0.4567 -0.15 -0.17027 -0.9462 -0.025 -0.04738 -0.2679 -0.9647 -0.8897 3211627 TimTec1_005710 O=C/1NC(=S)N\C1=C\c2cc3ccccc3nc2N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D13 compound treatment 0.007 -0.0046255 -0.0241 0.113 0.09273 0.5153 0.113 0.09062 0.5125 0.5795 0.7969 1617853 TimTec1_005711 Cc1cccc(C)c1NC(=O)C2(CCCC2)N(Cc3ccccc3)C(=O)c4ccc(cc4)n5cnnn5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D14 compound treatment -0.14 -0.15163 -0.7903 -0.207 -0.22727 -1.263 -0.079 -0.10138 -0.5733 -1.5165 -0.95 1422235 TimTec1_005712 Brc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D15 compound treatment 0.041 0.029374 0.1531 -0.119 -0.13927 -0.7739 -0.205 -0.22738 -1.2859 -1.1008 -0.7297 3211628 TimTec1_005713 CCN(CC)c1ccc(cc1)C2(NN(C(=C2C#N)N)c3ccccc3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D16 compound treatment 0.106 0.094374 0.4919 0.45 0.42973 2.3881 0.75 0.72762 4.1148 4.0385 0.8443 3085673 TimTec1_005714 C/C(=N\c1ccccc1)/C2=C(O)C=C(CC2c3ccco3)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D17 compound treatment 0.023 0.011374 0.0593 -0.078 -0.09827 -0.5461 -0.122 -0.14438 -0.8165 -0.7525 -0.7646 3211629 TimTec1_005715 Fc1ccc(CCN2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)/C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D18 compound treatment 0.11 0.098374 0.5128 0.096 0.07573 0.4208 0.257 0.23462 1.3268 1.3051 0.8798 1524909 TimTec1_005716 COc1ccccc1c2nnc(o2)c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D19 compound treatment -0.13 -0.14163 -0.7382 0.178 0.15773 0.8765 -0.081 -0.10338 -0.5846 -0.2577 -0.2003 3211630 TimTec1_005717 COc1cccc(c1)c2cc(nc(SC3CC(=O)C4OCC3O4)n2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D20 compound treatment 0.019 0.0073745 0.0384 -0.082 -0.10227 -0.5683 0.114 0.09162 0.5181 -0.0068 -0.0088 3085676 TimTec1_005718 FC(F)(F)c1cccc(c1)N2C(=O)CC(Cc3ccccc3)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D21 compound treatment 0.157 0.14537 0.7577 0.06 0.03973 0.2208 -0.125 -0.14738 -0.8335 0.0837 0.073 3211631 TimTec1_005719 CC1(C)OC(=O)C(=Cc2cccn2c3ccc(cc3)S(=O)(=O)N)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D22 compound treatment -0.113 -0.12463 -0.6496 -0.075 -0.09527 -0.5294 0.075 0.05262 0.2976 -0.5089 -0.5723 3085679 TimTec1_005720 Cc1cccc2nc(=S)n(C(=O)c3ccc(F)cc3)n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D23 mock treatment -0.101 -0.11263 -0.587 -0.091 -0.11127 -0.6183 0.086 0.06362 0.3598 -0.4882 -0.5275 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 D24 mock treatment 0.094 0.082374 0.4294 -0.066 -0.08627 -0.4794 0.013 -0.0093798 -0.053 -0.0595 -0.0922 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E01 compound treatment 0.046 0.034374 0.1792 0.061 0.04073 0.2263 0.131 0.10862 0.6143 0.5888 0.8675 3211632 TimTec1_005721 Cc1cc(F)c(F)c(C(=O)n2ccnc2)c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E02 compound treatment -0.069 -0.080626 -0.4202 -0.022 -0.04227 -0.2349 0.048 0.02562 0.1449 -0.2946 -0.586 1584802 TimTec1_005722 O=C(CSc1ccccc1)Nc2c(oc3ccccc23)C(=O)C4CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E03 compound treatment 0.134 0.12237 0.6378 -0.092 -0.11227 -0.6239 0.38 0.35762 2.0224 1.1757 0.5319 3211633 TimTec1_005723 COCc1cc(C)nc2sc(C(=O)OC)c(N)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E04 compound treatment -0.035 -0.046626 -0.243 -0.062 -0.08227 -0.4572 -0.068 -0.09038 -0.5111 -0.6994 -0.9613 3211634 TimTec1_005724 CC(C)COC(=O)C1=C(C)Nc2cc(ccc2S1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E05 compound treatment -0.064 -0.075626 -0.3942 0.084 0.06373 0.3542 0.166 0.14362 0.8122 0.4458 0.4597 3085682 TimTec1_005725 Fc1ccc(COc2ccccc2/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E06 compound treatment -0.169 -0.18063 -0.9415 -0.094 -0.11427 -0.635 0.451 0.42862 2.4239 0.4893 0.1828 3211635 TimTec1_005726 CN(C)c1ccc(/C=C\2/Oc3c(ccc(O)c3O)C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E07 compound treatment 0.187 0.17537 0.9141 -0.096 -0.11627 -0.6461 -0.144 -0.16638 -0.9409 -0.3885 -0.2657 3211636 TimTec1_005727 CCn/1c(cs\c1=N\c2cc(OC)c(Cl)cc2OC)c3ccc(F)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E08 compound treatment 0.085 0.073374 0.3824 0.167 0.14673 0.8154 -0.252 -0.27438 -1.5517 -0.2043 -0.1139 1668810 TimTec1_005728 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(Cc4ccccc4)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E09 compound treatment 0.033 0.021374 0.1114 -0.049 -0.06927 -0.3849 -0.103 -0.12538 -0.709 -0.5673 -0.6965 1468867 TimTec1_005729 NS(=O)(=O)c1ccc(N=NN2CCCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E10 compound treatment 0.018 0.0063745 0.0332 -0.064 -0.08427 -0.4683 -0.013 -0.03538 -0.2001 -0.3667 -0.7186 1221615 TimTec1_005730 CCc1ccc2cc(cn2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E11 compound treatment 0.073 0.061374 0.3199 0.07 0.04973 0.2764 0.09 0.06762 0.3824 0.565 0.9912 3211637 TimTec1_005731 CC1SC(N(C1=O)c2ccccc2)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E12 compound treatment 0.1 0.088374 0.4606 -0.077 -0.09727 -0.5405 0.007 -0.01538 -0.087 -0.0964 -0.1347 1203111 TimTec1_005732 Cc1cc(C(=O)O)c(C#N)c(N)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E13 compound treatment 0.076 0.064374 0.3355 0.054 0.03373 0.1874 0.893 0.87062 4.9235 3.1445 0.6367 3211638 TimTec1_005733 NC(=NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E14 compound treatment 0.152 0.14037 0.7317 0.07 0.04973 0.2764 0.254 0.23162 1.3099 1.3382 0.8772 3085709 TimTec1_005734 Cc1nc2ccccc2c(=O)n1c3ccc4OC(F)(F)Oc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E15 compound treatment -0.081 -0.092626 -0.4828 0.353 0.33273 1.849 -0.054 -0.07638 -0.4319 0.5394 0.2753 3085711 TimTec1_005735 C/C(=C/C(=O)C1CC1)/C2CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E16 compound treatment 0.378 0.36637 1.9096 -0.039 -0.05927 -0.3294 0.071 0.04862 0.275 1.0711 0.5473 1198283 TimTec1_005736 CC(C(=O)Nc1ccc2OCCOc2c1)n3nnc(n3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E17 compound treatment 0.013 0.0013745 0.0072 -0.096 -0.11627 -0.6461 0.088 0.06562 0.3711 -0.1547 -0.2076 1200453 TimTec1_005737 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E18 compound treatment 0.079 0.067374 0.3512 0.4 0.37973 2.1102 0.124 0.10162 0.5747 1.7529 0.7913 1488913 TimTec1_005738 CCCc1cc(O)nc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E19 compound treatment 0.007 -0.0046255 -0.0241 0.006 -0.01427 -0.0793 0.029 0.0066202 0.0374 -0.0381 -0.4188 1378082 TimTec1_005739 CCOC(=O)C1(CCN(CC1)C(=O)c2ccccc2O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E20 compound treatment -0.247 -0.25863 -1.348 -0.213 -0.23327 -1.2963 -0.013 -0.03538 -0.2001 -1.6422 -0.8731 1283200 TimTec1_005740 CC(C)N1C2OC(OC2N(C(C)C)S1(=O)=O)C3OC4C(O3)N(C(C)C)S(=O)(=O)N4C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E21 compound treatment 0.045 0.033374 0.174 -0.088 -0.10827 -0.6017 -0.14 -0.16238 -0.9183 -0.7771 -0.6991 1315806 TimTec1_005741 CC(=O)Oc1ccc(C)cc1n2nc3ccccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E22 compound treatment -0.069 -0.080626 -0.4202 0.116 0.09573 0.532 0.111 0.08862 0.5012 0.3539 0.4197 3085715 TimTec1_005742 COc1ccccc1N/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E23 mock treatment 0.049 0.037374 0.1948 0.057 0.03673 0.2041 0.019 -0.0033798 -0.0191 0.2193 0.7754 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 E24 mock treatment 0.099 0.087374 0.4554 0.014 -0.00627 -0.0348 0.007 -0.01538 -0.087 0.1926 0.4142 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F01 compound treatment -0.069 -0.080626 -0.4202 0.053 0.03273 0.1819 -0.059 -0.08138 -0.4602 -0.4033 -0.6212 1415787 TimTec1_005743 O=C(Cn1nnc(n1)c2ccc3OCOc3c2)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F02 compound treatment -0.099 -0.11063 -0.5766 -0.076 -0.09627 -0.535 0.128 0.10562 0.5973 -0.2969 -0.3006 1291024 TimTec1_005744 Cc1[nH]c2ccccc2c1CCNC(=O)c3cc4cc(Br)ccc4oc3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F03 compound treatment 0.058 0.046374 0.2417 0.007 -0.01327 -0.0737 -0.098 -0.12038 -0.6808 -0.2961 -0.4077 3085718 TimTec1_005745 FC(F)(F)c1nnc(S)n1/N=C/c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F04 compound treatment -0.104 -0.11563 -0.6027 -0.097 -0.11727 -0.6517 -0.181 -0.20338 -1.1502 -1.3882 -0.9555 1647381 TimTec1_005746 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)NCc3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F05 compound treatment 0.061 0.049374 0.2574 0.161 0.14073 0.7821 -0.124 -0.14638 -0.8278 0.1222 0.1046 1416263 TimTec1_005747 Cc1c(NC(=O)C2CCCC2)c(=O)n(c3ccccc3)n1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F06 compound treatment 0.038 0.026374 0.1375 0.113 0.09273 0.5153 0.122 0.09962 0.5634 0.7021 0.9051 3211747 TimTec1_005748 Cc1cc(S)c2n(Cc3ccc(Cl)cc3Cl)nc[n+]2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F07 compound treatment 0.087 0.075374 0.3929 -0.055 -0.07527 -0.4183 -0.229 -0.25138 -1.4216 -0.8354 -0.5449 1581088 TimTec1_005749 Fc1cccc(Cl)c1C2N3CCCCN23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F08 compound treatment -0.081 -0.092626 -0.4828 -0.114 -0.13427 -0.7462 0.03 0.0076202 0.0431 -0.6847 -0.7695 1406168 TimTec1_005750 COC(=O)c1ccc(CSc2nnc3c4ccccc4n(C)c3n2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F09 compound treatment 0.018 0.0063745 0.0332 0.084 0.06373 0.3542 0.067 0.04462 0.2523 0.3693 0.8469 3211748 TimTec1_005751 Cc1cc(C)c(c(C)c1)n2nnnc2SCC(=O)Nc3nn(nc3C(=O)N)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F10 compound treatment -0.04 -0.051626 -0.2691 0.053 0.03273 0.1819 0.013 -0.0093798 -0.053 -0.081 -0.246 3087784 TimTec1_005752 CC1(NC(C2C1C(=O)N(C2=O)c3ccccc3)c4cc(Br)ccc4O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F11 compound treatment -0.036 -0.047626 -0.2482 0.203 0.18273 1.0155 0.179 0.15662 0.8857 0.9543 0.6965 3211749 TimTec1_005753 N#CCC1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F12 compound treatment 0.012 3.7448E-4 0.002 0.024 0.00373 0.0207 -0.136 -0.15838 -0.8957 -0.504 -0.5626 1605647 TimTec1_005754 COc1ccc(cc1OC)C2C(Oc3ccc(Cl)cc3C)C(=O)N2c4ccc(C)c(C)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F13 compound treatment -0.046 -0.057626 -0.3004 0.026 0.00573 0.0318 0.026 0.0036202 0.0205 -0.1432 -0.473 3087785 TimTec1_005755 C[S+](C)c1c(O)n(c2ccccc2F)c(=O)[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F14 compound treatment -0.186 -0.19763 -1.0301 -0.027 -0.04727 -0.2627 -0.007 -0.02938 -0.1661 -0.8423 -0.7828 1201797 TimTec1_005756 Fc1cc(Cl)c(cc1F)C(=O)NC2C3CC4CC(C3)CC2C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F15 compound treatment -0.164 -0.17563 -0.9154 -0.194 -0.21427 -1.1907 0.276 0.25362 1.4343 -0.3879 -0.1868 1326307 TimTec1_005757 CC(Sc1nc(N)cc(N)n1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F16 compound treatment 0.24 0.22837 1.1903 -0.038 -0.05827 -0.3238 0.099 0.07662 0.4333 0.7505 0.574 1664927 TimTec1_005758 C=CCn1c2ccccc2c3nnc(SCc4ccc5nonc5c4)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F17 compound treatment 0.09 0.078374 0.4085 -0.084 -0.10427 -0.5794 -0.024 -0.04638 -0.2623 -0.2501 -0.3309 3087786 TimTec1_005759 CC(Nc1nc(F)cc(=O)[nH]1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F18 compound treatment 0.143 0.13137 0.6848 0.06 0.03973 0.2208 0.195 0.17262 0.9762 1.0864 0.8959 3211750 TimTec1_005760 CCOC(=O)/C=C/1\NC(C)(C)Cc2cc(OC)c(O)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F19 compound treatment 0.0 -0.011626 -0.0606 -0.05 -0.07027 -0.3905 -0.119 -0.14138 -0.7995 -0.722 -0.8096 3211751 TimTec1_005761 O=C(CSc1nnnn1c2ccccc2)NCCC3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F20 compound treatment 0.073 0.061374 0.3199 0.055 0.03473 0.193 -0.096 -0.11838 -0.6695 -0.0904 -0.1179 3087787 TimTec1_005762 CC1SC2(CCCCC2)N(C1=O)c3cc(C)cc(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F21 compound treatment 0.162 0.15037 0.7838 -0.16 -0.18027 -1.0018 -0.099 -0.12138 -0.6864 -0.5222 -0.3613 3211752 TimTec1_005763 CC(=O)NC(NCCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F22 compound treatment 0.0 -0.011626 -0.0606 0.033 0.01273 0.0707 -0.044 -0.06638 -0.3754 -0.2109 -0.5452 1523330 TimTec1_005764 O=C(Oc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccs3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F23 mock treatment 0.018 0.0063745 0.0332 0.191 0.17073 0.9488 0.114 0.09162 0.5181 0.8661 0.8008 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 F24 mock treatment -0.013 -0.024626 -0.1284 -0.023 -0.04327 -0.2405 -0.058 -0.08038 -0.4546 -0.4754 -0.8969 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G01 compound treatment -0.089 -0.10063 -0.5245 -0.2 -0.22027 -1.2241 0.152 0.12962 0.733 -0.5863 -0.3857 3087788 TimTec1_005765 Fc1ccccc1c2nnc3ccc(cn23)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G02 compound treatment -0.043 -0.054626 -0.2847 -0.066 -0.08627 -0.4794 0.028 0.0056202 0.0318 -0.4228 -0.7571 3211753 TimTec1_005766 CN1C(=O)N(C)C2(N=C3SCC(=O)N3NC12c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G03 compound treatment 0.189 0.17737 0.9245 0.083 0.06273 0.3486 -0.007 -0.02938 -0.1661 0.6391 0.6379 1444799 TimTec1_005767 OC1=C(C(N(C1=O)c2cccnc2)c3ccccc3)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G04 compound treatment 0.222 0.21037 1.0965 0.142 0.12173 0.6765 0.021 -0.0013798 -0.0078 1.0191 0.791 1457617 TimTec1_005768 O=C(N1N=CCC1c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G05 compound treatment -0.081 -0.092626 -0.4828 -0.057 -0.07727 -0.4294 -0.034 -0.05638 -0.3188 -0.7107 -0.9864 1406350 TimTec1_005769 Clc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)N4CCc5ccccc45)sc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G06 compound treatment -0.104 -0.11563 -0.6027 0.31 0.28973 1.6101 -0.123 -0.14538 -0.8221 0.107 0.0561 1302719 TimTec1_005770 COC(=O)c1ccccc1NCNc2ccccc2C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G07 compound treatment 0.09 0.078374 0.4085 -0.052 -0.07227 -0.4016 -0.065 -0.08738 -0.4941 -0.2813 -0.3718 1261268 TimTec1_005771 CCCC(=C1C(=O)NC(=O)NC1=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G08 compound treatment 0.19 0.17837 0.9297 -0.169 -0.18927 -1.0518 0.09 0.06762 0.3824 0.1503 0.1033 1028239 TimTec1_005772 S=c1sscc1c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G09 compound treatment -0.016 -0.027626 -0.144 -0.021 -0.04127 -0.2293 -0.186 -0.20838 -1.1784 -0.8959 -0.7409 3211754 TimTec1_005773 CCOC(=O)Cc1nc(C)cs1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G10 compound treatment -0.018 -0.029626 -0.1544 0.083 0.06273 0.3486 -0.02 -0.04238 -0.2397 -0.0263 -0.0583 1366551 TimTec1_005774 CCC1C(OC(=O)C(C)(C)C1=O)c2cccc(Br)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G11 compound treatment -0.028 -0.039626 -0.2065 -0.16 -0.18027 -1.0018 -0.074 -0.09638 -0.545 -1.0123 -0.8734 3087789 TimTec1_005775 CC(=O)OC(C)(C)C#CCN1CCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G12 compound treatment -0.09 -0.10163 -0.5297 0.06 0.03973 0.2208 0.041 0.01862 0.1053 -0.1176 -0.2015 3211755 TimTec1_005776 O=C/1Nc2ccccc2\C1=C/3\NC(=S)N(C3=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G13 compound treatment 0.106 0.094374 0.4919 0.108 0.08773 0.4875 -0.028 -0.05038 -0.2849 0.401 0.5354 3087790 TimTec1_005777 CCOC1=NOC2C3CCC(C3)C21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G14 compound treatment -0.019 -0.030626 -0.1596 0.0 -0.02027 -0.1126 0.0 -0.02238 -0.1266 -0.2303 -0.9892 3211756 TimTec1_005778 COc1ccc(cc1)C2OCC(C)(CO2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G15 compound treatment -0.136 -0.14763 -0.7695 -0.055 -0.07527 -0.4183 -0.014 -0.03638 -0.2057 -0.8045 -0.8943 3087791 TimTec1_005779 Nc1ccc(OC(F)(F)F)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G16 compound treatment 0.068 0.056374 0.2938 0.093 0.07273 0.4042 -0.093 -0.11538 -0.6525 0.0263 0.032 1233416 TimTec1_005780 C(Sc1nnnn1c2ccc3OCOc3c2)C4CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G17 compound treatment -0.035 -0.046626 -0.243 0.076 0.05573 0.3097 -0.007 -0.02938 -0.1661 -0.0574 -0.1344 1922264 TimTec1_005781 CC1(C)COC(O)(CC1=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G18 compound treatment -0.094 -0.10563 -0.5505 -0.012 -0.03227 -0.1793 -0.087 -0.10938 -0.6186 -0.7785 -0.9189 1589793 TimTec1_005782 CCc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccc(cc4)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G19 compound treatment 0.126 0.11437 0.5961 0.16 0.13973 0.7765 0.313 0.29062 1.6435 1.7414 0.9103 3087792 TimTec1_005783 CSC1=NC2C(N1)N(C)C(=O)N2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G20 compound treatment -0.006 -0.017626 -0.0919 -0.05 -0.07027 -0.3905 -0.091 -0.11338 -0.6412 -0.6487 -0.8577 1362774 TimTec1_005784 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(O2)c4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G21 compound treatment -0.059 -0.070626 -0.3681 -0.101 -0.12127 -0.6739 -0.059 -0.08138 -0.4602 -0.8673 -0.9688 3087793 TimTec1_005785 O=C(Oc1ccc(cc1)c2cnc3ccccc3n2)/C=C/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G22 compound treatment -0.044 -0.055626 -0.2899 -0.061 -0.08127 -0.4516 0.038 0.01562 0.0883 -0.3771 -0.6934 1511555 TimTec1_005786 Clc1ccc2oc(=O)n(C(=O)NC3CCCCC3)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G23 mock treatment -0.242 -0.25363 -1.322 -0.091 -0.11127 -0.6183 -0.109 -0.13138 -0.743 -1.5492 -0.946 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 G24 mock treatment -0.006 -0.017626 -0.0919 -0.102 -0.12227 -0.6795 0.122 0.09962 0.5634 -0.1201 -0.1353 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H01 compound treatment 0.118 0.10637 0.5544 -0.12 -0.14027 -0.7795 0.03 0.0076202 0.0431 -0.1051 -0.1097 1788039 TimTec1_005787 Fc1ccccc1c2nnn(CC(=O)N3CCCCC3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H02 compound treatment 0.055 0.043374 0.2261 0.046 0.02573 0.143 0.006 -0.01638 -0.0926 0.1596 0.5638 1578958 TimTec1_005788 COc1ccc(Cl)cc1S(=O)(=O)N2CCN(CC2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H03 compound treatment -0.165 -0.17663 -0.9206 -0.066 -0.08627 -0.4794 0.067 0.04462 0.2523 -0.6626 -0.6203 3087794 TimTec1_005789 COc1cc2CC(C)(C)N=C(NC(C)C(=O)O)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H04 compound treatment 0.975 0.96337 5.0213 -0.205 -0.22527 -1.2519 -0.099 -0.12138 -0.6864 1.78 0.341 3087795 TimTec1_005790 NCCN1C(=O)S/C(=C/c2cccs2)/C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H05 compound treatment -0.024 -0.035626 -0.1857 0.23 0.20973 1.1655 0.367 0.34462 1.9489 1.6909 0.7421 1701075 TimTec1_005791 CCn1c(=N)n(CC(=O)c2cccs2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H06 compound treatment 0.018 0.0063745 0.0332 0.079 0.05873 0.3264 0.129 0.10662 0.603 0.5557 0.8096 1332043 TimTec1_005792 COC(=O)NC1CSCC1OC(=O)CCCN2C(=O)c3ccccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H07 compound treatment -0.032 -0.043626 -0.2274 0.047 0.02673 0.1485 -0.007 -0.02938 -0.1661 -0.1414 -0.4442 3087798 TimTec1_005793 COc1nsc(SC)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H08 compound treatment -0.087 -0.098626 -0.5141 0.014 -0.00627 -0.0348 -0.061 -0.08338 -0.4715 -0.5891 -0.8435 1015156 TimTec1_005794 COc1ccc(Cl)cc1NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H09 compound treatment 0.026 0.014374 0.0749 0.036 0.01573 0.0874 0.0 -0.02238 -0.1266 0.0207 0.1207 1397048 TimTec1_005795 COc1cc2ccccc2cc1C(=O)NC(C)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H10 compound treatment 0.11 0.098374 0.5128 0.019 -0.00127 -0.0071 0.155 0.13262 0.75 0.725 0.7979 3087801 TimTec1_005796 CC1(C)CC(=O)C2=C(C1)N(C(=C(C#N)C2c3ccsc3)N)c4c(F)cccc4F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H11 compound treatment 0.091 0.079374 0.4137 0.043 0.02273 0.1263 0.076 0.05362 0.3032 0.4869 0.9216 1338227 TimTec1_005797 COc1ccc(NC(=O)c2cnn(c2NC(=O)c3ccccc3F)c4ccccc4)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H12 compound treatment 0.0 -0.011626 -0.0606 0.041 0.02073 0.1152 0.045 0.02262 0.1279 0.1054 0.5774 1493728 TimTec1_005798 C1Oc2ccc(cc2O1)c3cc4ccccn4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H13 compound treatment -0.007 -0.018626 -0.0971 -0.034 -0.05427 -0.3016 0.041 0.01862 0.1053 -0.1694 -0.5073 1440128 TimTec1_005799 COc1cc(NC(=O)NC2(CC2)c3ccccc3)c(OC)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H14 compound treatment 0.027 0.015374 0.0801 0.083 0.06273 0.3486 0.164 0.14162 0.8009 0.7099 0.8094 1272978 TimTec1_005800 Cc1cc(NS(=O)(=O)c2ccccc2)cc(c1O)S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H15 compound treatment -0.297 -0.30863 -1.6086 -0.138 -0.15827 -0.8795 -0.441 -0.46338 -2.6205 -2.9495 -0.9222 3211757 TimTec1_005801 Cc1cc(Cl)nc(NN)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H16 compound treatment -0.158 -0.16963 -0.8841 -0.013 -0.03327 -0.1849 -0.044 -0.06638 -0.3754 -0.8339 -0.8526 1520603 TimTec1_005802 Cn1c2ccc(Br)cc2c3nnc(SCc4ccc5nonc5c4)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H17 compound treatment 0.077 0.065374 0.3407 0.2 0.17973 0.9988 0.194 0.17162 0.9705 1.3337 0.9302 1486800 TimTec1_005803 CN(C)CP(=O)(O)CCn1c2ccccc2c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H18 compound treatment 0.382 0.37037 1.9305 0.076 0.05573 0.3097 0.314 0.29162 1.6492 2.2455 0.8779 1194716 TimTec1_005804 OC(=O)C1Sc2c(sc(=O)n2Cc3ccccc3)C4C1C(=O)Oc5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H19 compound treatment -0.043 -0.054626 -0.2847 -0.065 -0.08527 -0.4739 0.181 0.15862 0.897 0.0799 0.0759 1203354 TimTec1_005805 Nc1nnc(CCCn2c(=O)oc3ccccc23)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H20 compound treatment -0.384 -0.39563 -2.0621 -0.122 -0.14227 -0.7906 -0.061 -0.08338 -0.4715 -1.9193 -0.8499 3087859 TimTec1_005806 CC/N=C\1/S/C(=C/c2ccc(o2)c3ccc(F)cc3)/C(=O)N1CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H21 compound treatment -0.184 -0.19563 -1.0196 -0.073 -0.09327 -0.5183 0.006 -0.01638 -0.0926 -0.9414 -0.8204 1544104 TimTec1_005807 CN(C)c1ccc(cc1)C2OC(=O)C(C)(C)C(=O)C2(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H22 compound treatment 0.033 0.021374 0.1114 0.066 0.04573 0.2541 0.277 0.25462 1.4399 1.0424 0.7108 3211853 TimTec1_005808 CCCn1c2ccccc2c3nnc(SCC(=O)NCc4ccc5OCOc5c4)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H23 mock treatment 0.018 0.0063745 0.0332 0.079 0.05873 0.3264 0.092 0.06962 0.3937 0.4349 0.8487 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 H24 mock treatment -0.012 -0.023626 -0.1231 0.139 0.11873 0.6598 -0.025 -0.04738 -0.2679 0.1551 0.2147 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I01 compound treatment -0.007 -0.018626 -0.0971 -0.02 -0.04027 -0.2238 0.013 -0.0093798 -0.053 -0.2159 -0.8648 1315061 TimTec1_005809 CCOC1(C)N(Nc2ccccc2C(=O)CC)c3ccccc3C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I02 compound treatment 0.068 0.056374 0.2938 0.033 0.01273 0.0707 0.039 0.01662 0.094 0.2648 0.8365 1011005 TimTec1_005810 OC(=O)CSc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I03 compound treatment 0.127 0.11537 0.6014 -0.046 -0.06627 -0.3683 0.158 0.13562 0.767 0.5774 0.5542 3211854 TimTec1_005811 CC1(C)OC(=O)N(Nc2ccccc2)C1(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I04 compound treatment -0.072 -0.083626 -0.4359 0.025 0.00473 0.0263 -0.175 -0.19738 -1.1162 -0.8809 -0.735 3087863 TimTec1_005812 Cc1c(Cl)cccc1NN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I05 compound treatment 0.096 0.084374 0.4398 -0.03 -0.05027 -0.2794 0.093 0.07062 0.3994 0.3232 0.4923 1462704 TimTec1_005813 CC(C)(C)NC(=O)CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I06 compound treatment -0.088 -0.099626 -0.5193 0.178 0.15773 0.8765 0.141 0.11862 0.6708 0.5936 0.4866 1663326 TimTec1_005814 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc3ccccc3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I07 compound treatment -0.019 -0.030626 -0.1596 -0.025 -0.04527 -0.2516 0.123 0.10062 0.569 0.0911 0.1419 3211855 TimTec1_005815 C1C/C(=C\c2nc3ccccc3[nH]2)/C(=C1)N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I08 compound treatment -0.059 -0.070626 -0.3681 0.039 0.01873 0.1041 0.16 0.13762 0.7783 0.2969 0.3424 1375813 TimTec1_005816 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)C(=O)C(=C2C(=O)c4ccc(Cl)cc4)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I09 compound treatment 0.031 0.019374 0.101 -0.154 -0.17427 -0.9684 -0.248 -0.27038 -1.529 -1.3836 -0.7633 3087867 TimTec1_005817 COC(=O)c1c(CSC(=N)N)nc2n(Cc3ccccc3)c4ccccc4n12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I10 compound treatment 0.101 0.089374 0.4658 0.127 0.10673 0.5931 0.082 0.05962 0.3372 0.8061 0.9757 3211856 TimTec1_005818 CC1=C(OC(=O)c2ccccc2)C(C)(C)C(OC1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I11 compound treatment 0.0 -0.011626 -0.0606 0.245 0.22473 1.2489 0.143 0.12062 0.6821 1.0799 0.7582 3087868 TimTec1_005819 COC(=O)c1ccc(/N=C/2\SC(CC(=O)N2C)C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I12 compound treatment 0.051 0.039374 0.2052 0.137 0.11673 0.6487 0.084 0.06162 0.3485 0.6942 0.9081 3211857 TimTec1_005820 COc1ccc(/C=N/c2nnc(c3ccccc3)c(n2)c4ccccc4)c(C(=O)O)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I13 compound treatment -0.056 -0.067626 -0.3525 0.021 7.2998E-4 0.0041 0.126 0.10362 0.586 0.1372 0.2006 3087871 TimTec1_005821 CC1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)/c5ccccc25)CC(C)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I14 compound treatment -0.036 -0.047626 -0.2482 -0.02 -0.04027 -0.2238 0.016 -0.0063798 -0.0361 -0.2934 -0.8727 1190190 TimTec1_005822 CC(=O)OC1c2ccccc2NC(c3ccccc3)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I15 compound treatment 0.134 0.12237 0.6378 0.167 0.14673 0.8154 0.014 -0.0083798 -0.0474 0.8117 0.7832 1442650 TimTec1_005823 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)SCC(=O)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I16 compound treatment -0.095 -0.10663 -0.5558 0.085 0.06473 0.3597 0.234 0.21162 1.1968 0.5778 0.4224 3087873 TimTec1_005824 SC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c3nc(cs3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I17 compound treatment -0.006 -0.017626 -0.0919 0.044 0.02373 0.1319 -0.018 -0.04038 -0.2284 -0.1087 -0.3894 1201213 TimTec1_005825 OC(=O)c1ccc(N=NN2CCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I18 compound treatment 0.238 0.22637 1.1799 0.069 0.04873 0.2708 0.21 0.18762 1.061 1.4502 0.9009 3211858 TimTec1_005826 CSc1ccc(cc1)S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I19 compound treatment 0.115 0.10337 0.5388 0.007 -0.01327 -0.0737 0.21 0.18762 1.061 0.8811 0.739 1656330 TimTec1_005827 CC(C)(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)NS(=O)(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I20 compound treatment 0.021 0.0093745 0.0489 -0.009 -0.02927 -0.1627 0.025 0.0026202 0.0148 -0.0571 -0.3352 1594685 TimTec1_005828 CC1C(C#N)(C#N)C2(C#N)C(OC1(C)OC2=N)c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I21 compound treatment -0.155 -0.16663 -0.8685 -0.113 -0.13327 -0.7406 -0.109 -0.13138 -0.743 -1.358 -0.9971 3211859 TimTec1_005829 O=C/1N(CN2CCN(CC2)c3ccccc3)c4ccccc4\C1=N\c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I22 compound treatment 0.242 0.23037 1.2008 0.139 0.11873 0.6598 0.255 0.23262 1.3155 1.8337 0.9654 1426903 TimTec1_005830 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4cccc(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I23 mock treatment 0.168 0.15637 0.8151 -0.035 -0.05527 -0.3071 0.055 0.03262 0.1845 0.3998 0.449 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 I24 mock treatment 0.111 0.099374 0.518 0.014 -0.00627 -0.0348 0.007 -0.01538 -0.087 0.2287 0.4345 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J01 compound treatment 0.094 0.082374 0.4294 -0.058 -0.07827 -0.435 0.006 -0.01638 -0.0926 -0.0567 -0.0918 1380440 TimTec1_005831 CC(C)(CO)NC1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J02 compound treatment 0.07 0.058374 0.3043 -0.054 -0.07427 -0.4127 -0.127 -0.14938 -0.8448 -0.5504 -0.5569 1328534 TimTec1_005832 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J03 compound treatment 0.122 0.11037 0.5753 0.0 -0.02027 -0.1126 -0.171 -0.19338 -1.0936 -0.3643 -0.2936 3211860 TimTec1_005833 FC(F)(F)C1=CC(=NCCN1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J04 compound treatment -0.273 -0.28463 -1.4835 -0.245 -0.26527 -1.4741 -0.162 -0.18438 -1.0427 -2.3096 -0.9883 1159735 TimTec1_005834 CN(C)P1(=O)Nc2ccccc2S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J05 compound treatment -0.07 -0.081626 -0.4255 -0.071 -0.09127 -0.5072 0.159 0.13662 0.7726 -0.0924 -0.0908 1421447 TimTec1_005835 CC(C)(O)C1(C)NCCc2ccccc21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J06 compound treatment 0.105 0.093374 0.4867 -0.006 -0.02627 -0.146 -0.019 -0.04138 -0.234 0.0616 0.1101 1178221 TimTec1_005836 CC1CC2(CC(C)(C)C1)NN(C(=S)N2)c3ccc(C)c(C)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J07 compound treatment -0.079 -0.090626 -0.4724 0.149 0.12873 0.7154 0.345 0.32262 1.8245 1.1937 0.5921 1709992 TimTec1_005837 CC1(C)CC(CC(C)(C)N1)NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J08 compound treatment -0.071 -0.082626 -0.4307 0.006 -0.01427 -0.0793 0.036 0.01362 0.077 -0.25 -0.5622 1603180 TimTec1_005838 O=C(NC1CCCCC1)C2CC(=O)OC32CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J09 compound treatment -0.138 -0.14963 -0.7799 -0.035 -0.05527 -0.3071 -0.079 -0.10138 -0.5733 -0.9586 -0.944 1526847 TimTec1_005839 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccccc5C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J10 compound treatment 0.027 0.015374 0.0801 -0.115 -0.13527 -0.7517 -0.137 -0.15938 -0.9013 -0.9081 -0.772 3211861 TimTec1_005840 CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J11 compound treatment -0.078 -0.089626 -0.4671 0.167 0.14673 0.8154 0.0 -0.02238 -0.1266 0.128 0.135 1564041 TimTec1_005841 CCN(C(=O)Cn1nnc(n1)c2ccc3OCOc3c2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J12 compound treatment 0.089 0.077374 0.4033 0.0 -0.02027 -0.1126 0.019 -0.0033798 -0.0191 0.1568 0.374 3087925 TimTec1_005842 FC(F)(F)c1nnc2SCC(=Nn12)c3ccc(Cl)cc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J13 compound treatment 0.027 0.015374 0.0801 0.037 0.01673 0.093 -0.095 -0.11738 -0.6638 -0.2833 -0.4197 3211862 TimTec1_005843 CCN1C(=O)C2NN=C(C2C1=O)C(=O)c3nc(Cl)ccc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J14 compound treatment -0.043 -0.054626 -0.2847 -0.094 -0.11427 -0.635 -0.044 -0.06638 -0.3754 -0.7477 -0.9457 1209557 TimTec1_005844 COc1ccc(cc1)C(=O)Nc2cc(C)c(O)c(c2C)S(=O)(=O)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J15 compound treatment 0.383 0.37137 1.9357 0.153 0.13273 0.7376 -0.214 -0.23638 -1.3368 0.7716 0.313 3211863 TimTec1_005845 Sc1nc(SCCOc2ccccc2)nc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J16 compound treatment 0.31 0.29837 1.5552 0.277 0.25673 1.4267 0.249 0.22662 1.2816 2.4615 0.9969 3087928 TimTec1_005846 CC(C)(C)C(=O)/C=C/1\NCCN\C1=C/C(=O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J17 compound treatment -0.073 -0.084626 -0.4411 -0.011 -0.03127 -0.1738 0.147 0.12462 0.7048 0.0519 0.0611 1272266 TimTec1_005847 OC(=O)C(Cc1ccco1)P(=O)(O)CN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J18 compound treatment -0.041 -0.052626 -0.2743 -0.054 -0.07427 -0.4127 0.139 0.11662 0.6595 -0.0159 -0.0193 1688384 TimTec1_005848 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCC3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J19 compound treatment 0.086 0.074374 0.3877 0.16 0.13973 0.7765 -0.024 -0.04638 -0.2623 0.5207 0.5743 1696945 TimTec1_005849 COc1cccc(c1)C(=O)Nc2cccc(C)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J20 compound treatment 0.339 0.32737 1.7064 -0.303 -0.32327 -1.7965 -0.025 -0.04738 -0.2679 -0.2067 -0.0829 3087931 TimTec1_005850 Cc1cccn2cc(cc12)c3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J21 compound treatment 0.038 0.026374 0.1375 -0.157 -0.17727 -0.9851 -0.036 -0.05838 -0.3301 -0.68 -0.6488 1142933 TimTec1_005851 Cc1ccc(cc1)C(=O)C2OC(=O)C(C)(C)C(=O)C2(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J22 compound treatment 0.0 -0.011626 -0.0606 0.066 0.04573 0.2541 0.129 0.10662 0.603 0.4599 0.6998 3211864 TimTec1_005852 COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc34)c(=O)oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J23 mock treatment -0.058 -0.069626 -0.3629 0.049 0.02873 0.1597 0.149 0.12662 0.7161 0.2961 0.3617 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 J24 mock treatment 0.097 0.085374 0.445 0.006 -0.01427 -0.0793 0.0 -0.02238 -0.1266 0.1381 0.2941 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K01 compound treatment 0.084 0.072374 0.3772 0.048 0.02773 0.1541 -0.014 -0.03638 -0.2057 0.188 0.4118 1683560 TimTec1_005853 CCn1c(nc2ccccc12)C(O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K02 compound treatment 0.06 0.048374 0.2521 0.109 0.08873 0.4931 -0.124 -0.14638 -0.8278 -0.0477 -0.0479 3088026 TimTec1_005854 O=C1CSC2=NCN(CN12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K03 compound treatment 0.017 0.0053745 0.028 -0.052 -0.07227 -0.4016 0.04 0.01762 0.0996 -0.1582 -0.3814 3087964 TimTec1_005855 CCOC(=O)C1=C(C)NC(=NC1c2ccc(OC(=O)C)c(OC)c2)SC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K04 compound treatment -0.12 -0.13163 -0.6861 0.0 -0.02027 -0.1126 0.113 0.09062 0.5125 -0.1653 -0.1913 3087966 TimTec1_005856 CC(=O)NCCOc1cccc2cccnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K05 compound treatment 0.095 0.083374 0.4346 0.061 0.04073 0.2263 -0.013 -0.03538 -0.2001 0.2661 0.5027 1264565 TimTec1_005857 Cn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K06 compound treatment 0.076 0.064374 0.3355 -0.114 -0.13427 -0.7462 -0.051 -0.07338 -0.415 -0.4767 -0.5196 3211865 TimTec1_005858 Clc1ccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K07 compound treatment 0.024 0.012374 0.0645 -0.049 -0.06927 -0.3849 0.024 0.0016202 0.0092 -0.1797 -0.4603 1638757 TimTec1_005859 CCN(CC)P1(=O)COc2ccccc2OC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K08 compound treatment 0.0 -0.011626 -0.0606 0.079 0.05873 0.3264 -0.013 -0.03538 -0.2001 0.0379 0.0979 3211945 TimTec1_005860 CCC1CCC2(CC1)SCC(=O)N2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K09 compound treatment 0.142 0.13037 0.6795 -0.025 -0.04527 -0.2516 0.006 -0.01638 -0.0926 0.1936 0.265 1385466 TimTec1_005861 COc1ccc(cc1)N(C)C(=O)C2COc3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K10 compound treatment 0.17 0.15837 0.8255 -0.019 -0.03927 -0.2182 0.072 0.04962 0.2806 0.5126 0.5703 1301245 TimTec1_005862 Cc1ccc(NS(=O)(=O)c2c(C)ccc3nsnc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K11 compound treatment -0.11 -0.12163 -0.6339 -0.028 -0.04827 -0.2682 0.12 0.09762 0.5521 -0.2021 -0.2291 3087971 TimTec1_005863 CN(C)/C=N\c1ccc2nonc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K12 compound treatment -0.039 -0.050626 -0.2639 -0.352 -0.37227 -2.0688 -0.286 -0.30838 -1.7439 -2.3536 -0.8657 1432844 TimTec1_005864 CCOC(=O)c1c(CN2CCCC2)n(C)c3cc(Br)c(OC)cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K13 compound treatment 0.288 0.27637 1.4405 0.033 0.01273 0.0707 0.006 -0.01638 -0.0926 0.8191 0.5667 3211946 TimTec1_005865 CSC1=NC2(CC(Oc3cc(O)ccc32)c4ccccc4)CC(C)(C)N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K14 compound treatment -0.007 -0.018626 -0.0971 -0.061 -0.08127 -0.4516 0.435 0.41262 2.3334 1.0304 0.4332 3087973 TimTec1_005866 CC(=O)N1C(=O)/C(=C\c2cccnc2)/NC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K15 compound treatment -0.069 -0.080626 -0.4202 -0.011 -0.03127 -0.1738 -0.093 -0.11538 -0.6525 -0.7197 -0.9049 1685221 TimTec1_005867 CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc3CC(C)CCc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K16 compound treatment -0.156 -0.16763 -0.8737 -0.047 -0.06727 -0.3738 0.123 0.10062 0.569 -0.3917 -0.3537 3087975 TimTec1_005868 Oc1ccccc1c2cc(nn2Cc3ccc(Cl)cc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K17 compound treatment -0.133 -0.14463 -0.7538 -0.094 -0.11427 -0.635 -0.222 -0.24438 -1.382 -1.5998 -0.9424 1551420 TimTec1_005869 COC(=O)c1ccc(N=NN2CCCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K18 compound treatment -0.047 -0.058626 -0.3056 0.158 0.13773 0.7654 -0.037 -0.05938 -0.3358 0.0716 0.0805 1545682 TimTec1_005870 COc1ccc(cc1)C2CC(=O)Oc3ccc(cc23)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K19 compound treatment 0.126 0.11437 0.5961 0.006 -0.01427 -0.0793 0.104 0.08162 0.4616 0.5649 0.7451 1253632 TimTec1_005871 O=C(N(Cc1ccccc1)c2ccccn2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K20 compound treatment -0.005 -0.016626 -0.0867 -0.02 -0.04027 -0.2238 0.082 0.05962 0.3372 0.0154 0.0373 3211947 TimTec1_005872 COc1nc(OC)nc(n1)n2cnc(NC(=O)Nc3cccc(Cl)c3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K21 compound treatment 0.038 0.026374 0.1375 0.042 0.02173 0.1208 0.07 0.04762 0.2693 0.3046 0.9355 1118061 TimTec1_005873 Sc1nc2-c3ccccc3CC(C4CCCCC4)c2c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K22 compound treatment -0.108 -0.11963 -0.6235 -0.044 -0.06427 -0.3572 -0.071 -0.09338 -0.5281 -0.8711 -0.9768 3211948 TimTec1_005874 CCC(C#N)C1(CC2CC3CC(C2)C1)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K23 mock treatment 0.071 0.059374 0.3095 0.022 0.00173 0.0096 -0.036 -0.05838 -0.3301 -0.0064 -0.0141 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 K24 mock treatment -0.435 -0.44663 -2.3279 0.076 0.05573 0.3097 -0.123 -0.14538 -0.8221 -1.6399 -0.6591 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L01 compound treatment 0.055 0.043374 0.2261 0.027 0.00673 0.0374 -0.013 -0.03538 -0.2001 0.0366 0.1203 3087980 TimTec1_005875 COC(=O)c1ccc(cc1)C2OCC(C)(C)CO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L02 compound treatment 0.034 0.022374 0.1166 0.026 0.00573 0.0318 0.027 0.0046202 0.0261 0.1008 0.815 1135137 TimTec1_005876 CCOc1ccc(CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L03 compound treatment 0.027 0.015374 0.0801 -0.082 -0.10227 -0.5683 -0.066 -0.08838 -0.4998 -0.5704 -0.7495 3211949 TimTec1_005877 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L04 compound treatment -0.087 -0.098626 -0.5141 -0.031 -0.05127 -0.2849 -0.052 -0.07438 -0.4206 -0.7041 -0.9743 1515423 TimTec1_005878 CCOc1nc(Cl)nc(n1)N2CCCCC2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L05 compound treatment 0.023 0.011374 0.0593 0.144 0.12373 0.6876 0.131 0.10862 0.6143 0.7859 0.8506 3088028 TimTec1_005879 COc1ccc(cc1)C(=O)NC(N2CCCCC2c3cccnc3)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L06 compound treatment -0.039 -0.050626 -0.2639 0.006 -0.01427 -0.0793 0.039 0.01662 0.094 -0.1439 -0.4942 1732675 TimTec1_005880 CCOc1ccc(CC(=O)Nc2ccccc2)cc1OCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L07 compound treatment -0.138 -0.14963 -0.7799 -0.006 -0.02627 -0.146 0.063 0.04062 0.2297 -0.4019 -0.4866 1230635 TimTec1_005881 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccc(O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L08 compound treatment 0.052 0.040374 0.2104 0.236 0.21573 1.1988 0.089 0.06662 0.3767 1.0312 0.8093 1233176 TimTec1_005882 CCNC(=O)C1CC(=O)OC21CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L09 compound treatment 0.066 0.054374 0.2834 0.012 -0.00827 -0.046 0.178 0.15562 0.8801 0.6452 0.697 1157682 TimTec1_005883 COCc1cc(C)nc(SCC(=O)N2CCCCC2)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L10 compound treatment 0.0 -0.011626 -0.0606 0.06 0.03973 0.2208 0.071 0.04862 0.275 0.2512 0.7022 3088032 TimTec1_005884 CC(=O)ON1C(C)(C)C=C(C(=O)N)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L11 compound treatment -0.031 -0.042626 -0.2222 -0.056 -0.07627 -0.4238 0.083 0.06062 0.3428 -0.1751 -0.2974 3211950 TimTec1_005885 COc1ccccc1n2c(S)nnc2Cc3ccc(Cl)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L12 compound treatment -0.047 -0.058626 -0.3056 0.057 0.03673 0.2041 0.063 0.04062 0.2297 0.0741 0.1709 1274328 TimTec1_005886 COc1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L13 compound treatment 0.027 0.015374 0.0801 -0.007 -0.02727 -0.1515 0.026 0.0036202 0.0205 -0.0294 -0.1703 3211951 TimTec1_005887 COC(=O)C1=CN(CC2(CC3CC4CC(C3)C2)C4)C=C(C1c5ccc(F)cc5)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L14 compound treatment 0.225 0.21337 1.1122 -0.052 -0.07227 -0.4016 -0.076 -0.09838 -0.5564 0.089 0.0681 1513069 TimTec1_005888 CC(C)c1c(NC(=O)c2ccc(Cl)cc2)cc(C)c(O)c1S(=O)(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L15 compound treatment 0.035 0.023374 0.1218 -0.048 -0.06827 -0.3794 0.25 0.22762 1.2872 0.5945 0.4412 1273520 TimTec1_005889 CCn1c(SCCn2c(=S)n(C)c3ccccc23)nc4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L16 compound treatment 0.099 0.087374 0.4554 -0.018 -0.03827 -0.2127 0.04 0.01762 0.0996 0.1977 0.3858 1715744 TimTec1_005890 C(N1CCCC1)c2cc3ccccc3c4COCc42 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L17 compound treatment 0.047 0.035374 0.1844 0.006 -0.01427 -0.0793 0.198 0.17562 0.9932 0.6341 0.6258 1402014 TimTec1_005891 Cc1nc2cccc(C(=O)Oc3ccc(cc3)C(C)(C)C)c2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L18 compound treatment -0.047 -0.058626 -0.3056 0.059 0.03873 0.2152 0.057 0.03462 0.1958 0.0609 0.1443 1594146 TimTec1_005892 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCCC3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L19 compound treatment 0.164 0.15237 0.7942 0.129 0.10873 0.6042 0.238 0.21562 1.2194 1.5114 0.9592 3088038 TimTec1_005893 CCc1nnc(NC(=O)CSc2nnc(c3cccs3)n2CC=C)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L20 compound treatment 1.799 1.7874 6.7577 0.116 0.09573 0.532 0.385 0.36262 2.0507 5.3926 0.7615 3211952 TimTec1_005894 CCN(CC)c1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L21 compound treatment 0.107 0.095374 0.4971 0.057 0.03673 0.2041 0.012 -0.01038 -0.0587 0.371 0.6862 3088039 TimTec1_005895 OC(=O)/C(=C/C(=O)c1ccccc1)/Nc2ccc(OC(F)(F)F)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L22 compound treatment -0.006 -0.017626 -0.0919 -0.019 -0.03927 -0.2182 0.038 0.01562 0.0883 -0.128 -0.5066 1788194 TimTec1_005896 CCOC(=O)c1c(C)c(NC(=O)C)c(C)n1C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L23 mock treatment -0.02 -0.031626 -0.1648 0.103 0.08273 0.4597 0.099 0.07662 0.4333 0.4204 0.6439 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 L24 mock treatment 0.221 0.20937 1.0913 -0.046 -0.06627 -0.3683 0.105 0.08262 0.4672 0.6872 0.5529 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M01 compound treatment -0.043 -0.054626 -0.2847 0.021 7.2998E-4 0.0041 -0.091 -0.11338 -0.6412 -0.5322 -0.7586 1430182 TimTec1_005897 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(C)cc3)no1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M02 compound treatment 0.209 0.19737 1.0288 0.042 0.02173 0.1208 0.094 0.07162 0.405 0.8975 0.807 1516860 TimTec1_005898 CCN1C2OC3OC4C(OC3OC2N(CC)S1(=O)=O)N(CC)S(=O)(=O)N4CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M03 compound treatment -0.161 -0.17263 -0.8998 0.006 -0.01427 -0.0793 -0.156 -0.17838 -1.0088 -1.1477 -0.8476 1315988 TimTec1_005899 Clc1ccccc1NCn2nc(c3ccccc3)n(CC=C)c2=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M04 compound treatment -0.082 -0.093626 -0.488 -0.035 -0.05527 -0.3071 -0.027 -0.04938 -0.2793 -0.6203 -0.9682 3088042 TimTec1_005900 CCC(=O)NC(Nc1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M05 compound treatment 0.217 0.20537 1.0705 -0.219 -0.23927 -1.3297 -0.062 -0.08438 -0.4772 -0.4252 -0.2399 3211953 TimTec1_005901 CC(C)C1C(=C(N)Oc2n[nH]c(C)c12)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M06 compound treatment 0.125 0.11337 0.5909 0.056 0.03573 0.1986 0.099 0.07662 0.4333 0.706 0.9299 1171314 TimTec1_005902 COc1ccc(OC)c(CNc2ccc3n(C)c(C)nc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M07 compound treatment -0.102 -0.11363 -0.5922 -0.007 -0.02727 -0.1515 0.047 0.02462 0.1392 -0.349 -0.5567 3088045 TimTec1_005903 CCOC(=O)C1=C(C)NC(=NC1c2ccccc2)SCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M08 compound treatment 0.127 0.11537 0.6014 0.088 0.06773 0.3764 0.119 0.09662 0.5464 0.88 0.9827 1705094 TimTec1_005904 OC(=O)Cc1c(Sc2ccccc2)c3ccccc3n1Cc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M09 compound treatment 0.25 0.23837 1.2425 0.087 0.06673 0.3708 0.211 0.18862 1.0667 1.5473 0.9216 3211954 TimTec1_005905 CN(C)c1ccc(/C=C/2\C(=O)N(N=C2C(=O)Nc3ccccc3)c4ccccc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M10 compound treatment -0.06 -0.071626 -0.3733 -0.012 -0.03227 -0.1793 0.032 0.0096202 0.0544 -0.2877 -0.6887 1621165 TimTec1_005906 O1c2ccccc2N=C(c3ccccc3)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M11 compound treatment 0.007 -0.0046255 -0.0241 0.107 0.08673 0.482 -0.007 -0.02938 -0.1661 0.1684 0.33 1640716 TimTec1_005907 CCN(CC)C(=O)c1cn(nc1C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M12 compound treatment 0.06 0.048374 0.2521 0.1 0.07973 0.4431 -0.114 -0.13638 -0.7713 -0.0439 -0.0475 3211955 TimTec1_005908 OC(=O)C1CC(=O)N(CCc2ccccc2)/C(=N/CCc3ccccc3)/S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M13 compound treatment -0.034 -0.045626 -0.2378 0.029 0.00873 0.0485 0.007 -0.01538 -0.087 -0.1595 -0.6187 3088114 TimTec1_005909 CCCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CCO)/SC1=S 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M14 compound treatment 0.136 0.12437 0.6483 -0.03 -0.05027 -0.2794 1.055 1.0326 5.6896 3.4979 0.6101 1416853 TimTec1_005910 CCCCC(=O)Nc1ccc(cc1)c2csc(n2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M15 compound treatment -0.166 -0.17763 -0.9258 -0.006 -0.02627 -0.146 -0.031 -0.05338 -0.3019 -0.7931 -0.8054 3088116 TimTec1_005911 FC(F)(F)c1cccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M16 compound treatment -0.064 -0.075626 -0.3942 0.58 0.55973 3.1105 -0.097 -0.11938 -0.6751 1.1785 0.3674 1117685 TimTec1_005912 CN(C)c1ccc(cc1)C2OC(COc3ccccc3)CN(O2)C(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M17 compound treatment -0.107 -0.11863 -0.6183 0.032 0.01173 0.0652 0.081 0.05862 0.3315 -0.1279 -0.1816 1411622 TimTec1_005913 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M18 compound treatment -0.032 -0.043626 -0.2274 -0.024 -0.04427 -0.246 -0.024 -0.04638 -0.2623 -0.4247 -0.9983 1119974 TimTec1_005914 COc1ccc(cc1)c2nc(SCc3ccccc3C#N)[nH]c(=O)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M19 compound treatment 0.187 0.17537 0.9141 0.0 -0.02027 -0.1126 0.293 0.27062 1.5304 1.3463 0.7537 1518985 TimTec1_005915 CC(C1C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M20 compound treatment -0.106 -0.11763 -0.6131 0.125 0.10473 0.582 0.321 0.29862 1.6888 0.9571 0.5068 3088119 TimTec1_005916 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M21 compound treatment 0.091 0.079374 0.4137 0.175 0.15473 0.8599 -0.127 -0.14938 -0.8448 0.2476 0.1943 1232476 TimTec1_005917 CC1CN(C(=O)C)c2ccccc2NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M22 compound treatment -0.057 -0.068626 -0.3577 -0.049 -0.06927 -0.3849 -0.156 -0.17838 -1.0088 -1.0112 -0.889 1452888 TimTec1_005918 O=C1N(C(=O)c2cccc3cccc1c23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M23 mock treatment 0.101 0.089374 0.4658 0.013 -0.00727 -0.0404 0.052 0.02962 0.1675 0.3423 0.6892 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 M24 mock treatment 0.067 0.055374 0.2886 -0.057 -0.07727 -0.4294 -0.136 -0.15838 -0.8957 -0.5984 -0.5785 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N01 compound treatment -0.152 -0.16363 -0.8529 -0.168 -0.18827 -1.0462 0.092 0.06962 0.3937 -0.8691 -0.6181 1241281 TimTec1_005919 COc1cc(NC(=O)c2cc3ccccc3cc2OCC(=O)NC(C)(C)C)c(OC)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N02 compound treatment 0.02 0.0083745 0.0436 -0.085 -0.10527 -0.585 0.383 0.36062 2.0394 0.8649 0.4076 3088122 TimTec1_005920 CCn/1cccc\c1=N/P2(=S)OCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N03 compound treatment 0.038 0.026374 0.1375 0.012 -0.00827 -0.046 0.065 0.04262 0.241 0.192 0.6826 1595949 TimTec1_005921 OC1=C(C(N(CCc2ccccc2)C1=O)c3ccccc3)C(=O)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N04 compound treatment -0.096 -0.10763 -0.561 -0.028 -0.04827 -0.2682 -0.006 -0.02838 -0.1605 -0.5714 -0.8898 1572095 TimTec1_005922 COCc1cc(C)nc2[nH]nc(N)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N05 compound treatment -0.041 -0.052626 -0.2743 0.089 0.06873 0.3819 0.106 0.08362 0.4729 0.3352 0.5026 3212011 TimTec1_005923 O=C(NCCOc1ccccc1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N06 compound treatment 0.216 0.20437 1.0652 -0.038 -0.05827 -0.3238 0.204 0.18162 1.0271 1.0211 0.6741 3212012 TimTec1_005924 CCOC(=O)c1cn(nc1N)C2CC(=O)C3OCC2O3.CCOC(=O)c1cn(nc1N)C2CC(O)(O)C3OCC2O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N07 compound treatment 0.056 0.044374 0.2313 -0.201 -0.22127 -1.2296 0.025 0.0026202 0.0148 -0.5678 -0.4538 3088126 TimTec1_005925 NC[C@@H]1CCCN2CCCC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N08 compound treatment 0.0 -0.011626 -0.0606 -0.093 -0.11327 -0.6295 0.131 0.10862 0.6143 -0.0438 -0.0496 1354761 TimTec1_005926 CCC(C)NCc1ccc(o1)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N09 compound treatment 0.012 3.7448E-4 0.002 -0.068 -0.08827 -0.4905 0.097 0.07462 0.422 -0.0384 -0.0594 1518220 TimTec1_005927 CSC1=NC(=C(C(=O)Nc2ccccc2)C3(CCCCC3)C1C(=O)N)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N10 compound treatment 0.018 0.0063745 0.0332 0.278 0.25773 1.4322 0.14 0.11762 0.6652 1.2301 0.7788 3212013 TimTec1_005928 OC1(O)CC(C2COC1O2)n3nc(c4ccco4)n(CC=C)c3=S.C=CCn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N11 compound treatment -0.068 -0.079626 -0.415 -0.132 -0.15227 -0.8462 -0.032 -0.05438 -0.3075 -0.9057 -0.9136 3088130 TimTec1_005929 Cc1cc2CC(C)(C)N/C(=C/C(=O)N)/c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N12 compound treatment -0.123 -0.13463 -0.7017 -0.121 -0.14127 -0.7851 -0.073 -0.09538 -0.5394 -1.1698 -0.9888 1138138 TimTec1_005930 CCOC(=O)c1[nH]c(C)c(CNc2ccccc2)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N13 compound treatment 0.044 0.032374 0.1687 0.124 0.10373 0.5764 0.079 0.05662 0.3202 0.6151 0.9037 1675612 TimTec1_005931 COc1nonc1n2nnc(C(=O)c3ccccc3)c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N14 compound treatment -0.061 -0.072626 -0.3785 0.113 0.09273 0.5153 -0.028 -0.05038 -0.2849 -0.0855 -0.1222 1140939 TimTec1_005932 CCCc1c(C)[nH]c2nc3ccccc3n2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N15 compound treatment -0.056 -0.067626 -0.3525 -0.025 -0.04527 -0.2516 0.06 0.03762 0.2127 -0.2259 -0.4682 3088132 TimTec1_005933 Clc1ccccc1c2nnc3cccc(Cl)n23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N16 compound treatment 0.164 0.15237 0.7942 0.036 0.01573 0.0874 0.049 0.02662 0.1505 0.5959 0.7329 1219341 TimTec1_005934 CCN(C(=O)c1c(C)c(Cl)c(C)nc1Oc2ccc(F)cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N17 compound treatment -0.184 -0.19563 -1.0196 -0.062 -0.08227 -0.4572 0.134 0.11162 0.6312 -0.4882 -0.3804 1518508 TimTec1_005935 CC(=O)N(CC1(CC2CC3CC(C2)C1)C3)C4CC(=O)N(C4=O)c5cccc(Cl)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N18 compound treatment -0.027 -0.038626 -0.2013 0.043 0.02273 0.1263 -0.077 -0.09938 -0.562 -0.3678 -0.6027 3088204 TimTec1_005936 Cn1nc(cc1Cl)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N19 compound treatment -0.222 -0.23363 -1.2177 -0.26 -0.28027 -1.5575 -0.127 -0.14938 -0.8448 -2.09 -0.9721 3088206 TimTec1_005937 Cc1ccc(N/C(=C/C(=O)c2ccccc2)/C(=O)O)cc1Br 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N20 compound treatment 0.06 0.048374 0.2521 0.03 0.00973 0.0541 0.248 0.22562 1.2759 0.9134 0.7017 3088207 TimTec1_005938 CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Br)o2)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N21 compound treatment 0.102 0.090374 0.4711 0.056 0.03573 0.1986 0.114 0.09162 0.5181 0.6857 0.9421 3212014 TimTec1_005939 COCCN1C=C(C(C(=C1)C(=O)OC)c2cccs2)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N22 compound treatment 0.138 0.12637 0.6587 0.114 0.09373 0.5209 0.105 0.08262 0.4672 0.9508 0.9894 3212015 TimTec1_005940 CN/1CCC\C1=C\C=C\2/SC(=S)NC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N23 mock treatment -0.204 -0.21563 -1.1239 0.026 0.00573 0.0318 -0.045 -0.06738 -0.381 -0.8505 -0.7164 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 N24 mock treatment 0.018 0.0063745 0.0332 -0.023 -0.04327 -0.2405 0.042 0.01962 0.111 -0.0556 -0.2083 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O01 compound treatment -0.058 -0.069626 -0.3629 -0.039 -0.05927 -0.3294 0.047 0.02462 0.1392 -0.3193 -0.6267 1199249 TimTec1_005941 CCCn1c2ccccc2c3nnc(SCC(=O)NC(C)c4ccccc4)nc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O02 compound treatment 0.04 0.028374 0.1479 0.034 0.01373 0.0763 0.048 0.02562 0.1449 0.2131 0.9657 1786664 TimTec1_005942 CC(C)c1cc(=O)n2nc(N)[nH]c2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O03 compound treatment -0.053 -0.064626 -0.3368 0.029 0.00873 0.0485 -0.173 -0.19538 -1.1049 -0.8044 -0.6958 3212016 TimTec1_005943 Fc1ccccc1COc2ccccc2/C=C\3/SC(=N)NC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O04 compound treatment -0.044 -0.055626 -0.2899 0.085 0.06473 0.3597 0.378 0.35562 2.0111 1.2014 0.5822 1724360 TimTec1_005944 c1c(nc2nc(c3ccccc3)c(nn12)c4ccccc4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O05 compound treatment 0.03 0.018374 0.0958 -0.115 -0.13527 -0.7517 0.13 0.10762 0.6086 -0.0273 -0.0281 3088212 TimTec1_005945 O=C(CSC1=NC(CC(=O)N1)c2ccccc2)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O06 compound treatment -0.114 -0.12563 -0.6548 0.05 0.02973 0.1652 -0.086 -0.10838 -0.6129 -0.6365 -0.698 1025381 TimTec1_005946 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O07 compound treatment -0.097 -0.10863 -0.5662 -0.271 -0.29127 -1.6186 -0.095 -0.11738 -0.6638 -1.6447 -0.8944 1512733 TimTec1_005947 COc1ccc(cc1)C2=C(C)C(c3cccs3)c4ccccc4O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O08 compound treatment -0.006 -0.017626 -0.0919 -0.026 -0.04627 -0.2571 -0.065 -0.08738 -0.4941 -0.4868 -0.8622 3088214 TimTec1_005948 COC(=O)c1ccc(cc1)C2OCCCO2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O09 compound treatment -0.16 -0.17163 -0.8946 -0.141 -0.16127 -0.8962 -0.045 -0.06738 -0.381 -1.2539 -0.9482 3212017 TimTec1_005949 CCN(CC)N=Nc1n[nH]c2nc(C)cc(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O10 compound treatment 0.096 0.084374 0.4398 -0.017 -0.03727 -0.2071 -0.045 -0.06738 -0.381 -0.0857 -0.1387 1112286 TimTec1_005950 CC(=O)Nc1ccc(Cl)cc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O11 compound treatment 0.053 0.041374 0.2157 0.0 -0.02027 -0.1126 0.025 0.0026202 0.0148 0.068 0.2791 3212018 TimTec1_005951 C1C(=CC(=NN=C1c2ccccc2)c3ccccc3)c4c[nH]c5ccccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O12 compound treatment -0.094 -0.10563 -0.5505 -0.085 -0.10527 -0.585 -0.031 -0.05338 -0.3019 -0.8299 -0.9671 3212019 TimTec1_005952 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O13 compound treatment 0.02 0.0083745 0.0436 0.148 0.12773 0.7098 0.446 0.42362 2.3957 1.8181 0.7276 1583863 TimTec1_005953 CCOC(=O)C1(CCN(Cc2cccc(c2)C(=O)O)CC1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O14 compound treatment 0.046 0.034374 0.1792 -0.04 -0.06027 -0.3349 0.088 0.06562 0.3711 0.1243 0.2341 3212020 TimTec1_005954 COC(=O)c1c(NC(NC(=O)C)(C(F)(F)F)C(F)(F)F)sc2CN(C)CCc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O15 compound treatment -0.073 -0.084626 -0.4411 -0.059 -0.07927 -0.4405 -0.235 -0.25738 -1.4555 -1.3493 -0.8522 1330742 TimTec1_005955 COc1ccc(cc1)C(=O)c2sc3nc(cc(c4cccs4)c3c2N)c5cccs5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O16 compound treatment -0.025 -0.036626 -0.1909 -0.061 -0.08127 -0.4516 0.374 0.35162 1.9885 0.7771 0.3794 1008206 TimTec1_005956 NNc1ccc(Br)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O17 compound treatment 0.081 0.069374 0.3616 -0.143 -0.16327 -0.9073 -0.097 -0.11938 -0.6751 -0.7049 -0.5936 3212021 TimTec1_005957 C/N=C\1/S/C(=C\c2sccc2C)/C(=O)N1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O18 compound treatment 0.125 0.11337 0.5909 0.063 0.04273 0.2375 0.133 0.11062 0.6256 0.8394 0.9403 1627835 TimTec1_005958 OC(C(=O)NN1CCCCC1)(c2ccsc2)c3ccsc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O19 compound treatment 0.096 0.084374 0.4398 -0.046 -0.06627 -0.3683 -0.28 -0.30238 -1.71 -0.946 -0.5245 3088220 TimTec1_005959 C/C(=N/O)/C1CCCCCCCCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O20 compound treatment -0.018 -0.029626 -0.1544 0.058 0.03773 0.2097 0.0 -0.02238 -0.1266 -0.0412 -0.1422 3212022 TimTec1_005960 Fc1cccc(C(=O)N2CCCCC2)c1F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O21 compound treatment 0.133 0.12137 0.6326 0.029 0.00873 0.0485 -0.037 -0.05938 -0.3358 0.1994 0.2777 1373583 TimTec1_005961 Clc1ccc(cc1)C2(CC(=O)N3CCCCC3)C(=O)c4ccccc4C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O22 compound treatment -0.064 -0.075626 -0.3942 -0.049 -0.06927 -0.3849 -0.147 -0.16938 -0.9579 -1.0029 -0.9075 1018702 TimTec1_005962 Oc1ccccc1C(=O)N2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O23 mock treatment 0.104 0.092374 0.4815 0.088 0.06773 0.3764 0.025 0.0026202 0.0148 0.5038 0.8242 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 O24 mock treatment 0.006 -0.0056255 -0.0293 -0.024 -0.04427 -0.246 0.026 0.0036202 0.0205 -0.1471 -0.5919 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P01 compound treatment 0.02 0.0083745 0.0436 -0.039 -0.05927 -0.3294 -0.065 -0.08738 -0.4941 -0.4503 -0.7562 1707498 TimTec1_005963 COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC3(CC4CC5CC(C4)C3)C5)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P02 compound treatment 0.166 0.15437 0.8046 -0.054 -0.07427 -0.4127 -0.021 -0.04338 -0.2453 0.0846 0.0903 3088297 TimTec1_005964 CC1(C)COP(=S)(OC1)N(C2=NCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P03 compound treatment 0.079 0.067374 0.3512 -0.012 -0.03227 -0.1793 -0.261 -0.28338 -1.6026 -0.826 -0.5005 3212023 TimTec1_005965 CCC1CC(O)C(C)C(C)S1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P04 compound treatment -0.053 -0.064626 -0.3368 0.114 0.09373 0.5209 -0.179 -0.20138 -1.1388 -0.5513 -0.4251 3088299 TimTec1_005966 Oc1c(Cl)cc(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P05 compound treatment -0.066 -0.077626 -0.4046 0.051 0.03073 0.1708 -0.056 -0.07838 -0.4433 -0.3909 -0.6265 1497087 TimTec1_005967 COc1ccccc1n2c(CSc3ccccn3)nc4ccccc4c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P06 compound treatment -0.09 -0.10163 -0.5297 0.0 -0.02027 -0.1126 0.043 0.02062 0.1166 -0.3035 -0.5479 3088301 TimTec1_005968 FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P07 compound treatment 0.0 -0.011626 -0.0606 0.158 0.13773 0.7654 -0.212 -0.23438 -1.3255 -0.3583 -0.2339 3212024 TimTec1_005969 Brc1cccc(CSCC(=O)Nc2ccc3ccccc3c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P08 compound treatment 0.096 0.084374 0.4398 0.258 0.23773 1.3211 0.067 0.04462 0.2523 1.1623 0.8214 3212086 TimTec1_005970 Cc1cc(Cl)ccc1OC2C(N(C2=O)c3cccc(c3)C(F)(F)F)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P09 compound treatment -0.024 -0.035626 -0.1857 -0.098 -0.11827 -0.6572 0.079 0.05662 0.3202 -0.3018 -0.4001 1275002 TimTec1_005971 CC(NC(=O)NC1(CC1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P10 compound treatment 0.114 0.10237 0.5336 0.049 0.02873 0.1597 0.123 0.10062 0.569 0.7288 0.9153 1579554 TimTec1_005972 COc1ccc(cc1OC)C2SCC(=O)N2CCN3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P11 compound treatment 0.024 0.012374 0.0645 -0.025 -0.04527 -0.2516 -0.145 -0.16738 -0.9466 -0.6545 -0.6668 3088305 TimTec1_005973 CNc1nc(cc(n1)C(F)(F)F)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P12 compound treatment -0.005 -0.016626 -0.0867 0.097 0.07673 0.4264 0.027 0.0046202 0.0261 0.2112 0.4846 1420064 TimTec1_005974 Fc1ccccc1c2nnn(CC(=O)NCc3ccc4OCOc4c3)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P13 compound treatment -0.021 -0.032626 -0.1701 -0.019 -0.03927 -0.2182 0.0 -0.02238 -0.1266 -0.2972 -0.977 1669226 TimTec1_005975 CCOC(=O)C1=C(N)CC(NC1c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P14 compound treatment 0.027 0.015374 0.0801 0.062 0.04173 0.2319 -0.065 -0.08738 -0.4941 -0.1051 -0.1906 3088307 TimTec1_005976 COc1cc(ccc1n2cnnn2)n3cnnn3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P15 compound treatment 0.031 0.019374 0.101 0.018 -0.00227 -0.0126 0.0 -0.02238 -0.1266 -0.0221 -0.1358 1638981 TimTec1_005977 COc1ccc(NC(=O)C2(CCCCC2)N(C(=O)Cn3nnnc3N)c4ccc(OC)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P16 compound treatment 0.283 0.27137 1.4145 0.051 0.03073 0.1708 0.449 0.42662 2.4126 2.3082 0.8238 1387660 TimTec1_005978 CN(C)c1ccc(cc1)C(N2C(CC2=O)c3ccco3)C(=O)Nc4c(C)cccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P17 compound treatment 0.713 0.70137 3.6557 0.257 0.23673 1.3155 0.185 0.16262 0.9196 3.4011 0.8519 1166206 TimTec1_005979 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)N(CC=C)CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P18 compound treatment 0.098 0.086374 0.4502 0.044 0.02373 0.1319 0.152 0.12962 0.733 0.7593 0.8724 3088310 TimTec1_005980 Cc1ccccc1CSc2nnc3c4ccccc4n(CC=C)c3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P19 compound treatment -0.075 -0.086626 -0.4515 0.147 0.12673 0.7043 -0.012 -0.03438 -0.1944 0.0337 0.0392 3212087 TimTec1_005981 CC(=O)NC(NCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P20 compound treatment -0.057 -0.068626 -0.3577 0.052 0.03173 0.1763 -0.013 -0.03538 -0.2001 -0.2202 -0.4936 3212088 TimTec1_005982 Brc1ccc2nc(oc(=O)c2c1)c3ccc4C(=O)N(C5CCCCC5)C(=O)c4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P21 compound treatment -0.03 -0.041626 -0.217 0.042 0.02173 0.1208 -0.101 -0.12338 -0.6977 -0.4584 -0.6189 1700737 TimTec1_005983 Cc1ccc(cc1S(=O)(=O)NCc2ccccn2)c3nnc(Nc4ccccc4)c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P22 compound treatment 0.253 0.24137 1.2581 0.145 0.12473 0.6931 0.385 0.36262 2.0507 2.3105 0.9228 3212089 TimTec1_005984 CN1CCC(CC1)OC(=O)c2cc3cc(Br)ccc3oc2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P23 mock treatment 0.0 -0.011626 -0.0606 0.006 -0.01427 -0.0793 0.129 0.10662 0.603 0.2673 0.4374 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2079 P24 mock treatment 0.039 0.027374 0.1427 -0.097 -0.11727 -0.6517 0.052 0.02962 0.1675 -0.1972 -0.2866 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A01 compound treatment 0.447 0.43537 2.2693 0.095 0.07473 0.4153 0.156 0.13362 0.7556 1.9862 0.8182 1553711 TimTec1_007041 CC(=O)N1CCN(CC1)c2ccc(N)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A02 compound treatment 0.007 -0.0046255 -0.0241 -0.044 -0.06427 -0.3572 -0.007 -0.02938 -0.1661 -0.3161 -0.8008 3212280 TimTec1_007042 Cc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)NC3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A03 compound treatment 0.065 0.053374 0.2782 -0.071 -0.09127 -0.5072 0.032 0.0096202 0.0544 -0.1008 -0.1735 3212281 TimTec1_007043 O=C(CSc1ncnc2sc3CCCCc3c12)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A04 compound treatment -0.146 -0.15763 -0.8216 -0.122 -0.14227 -0.7906 0.084 0.06162 0.3485 -0.7296 -0.612 1162667 TimTec1_007044 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2cccc(Cl)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A05 compound treatment -0.027 -0.038626 -0.2013 -0.179 -0.19927 -1.1074 -0.073 -0.09538 -0.5394 -1.067 -0.8549 3212282 TimTec1_007045 Nc1ccc(cc1Cl)c2nc3ccc(N)c(Cl)c3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A06 compound treatment 0.019 0.0073745 0.0384 -0.03 -0.05027 -0.2794 -0.037 -0.05938 -0.3358 -0.333 -0.7593 1490444 TimTec1_007046 CC(=O)Nc1ccc(cc1)c2nc3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A07 compound treatment 0.069 0.057374 0.299 0.148 0.12773 0.7098 0.129 0.10662 0.603 0.9306 0.9513 1550978 TimTec1_007047 CCOC(=O)c1c(NC(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)sc4CCCCc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A08 compound treatment 0.153 0.14137 0.7369 -0.038 -0.05827 -0.3238 -0.047 -0.06938 -0.3924 0.012 0.0134 1241536 TimTec1_007048 Cc1c(C)c2ccc(OCC(=O)N)cc2oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A09 compound treatment 0.165 0.15337 0.7994 0.453 0.43273 2.4048 0.512 0.48962 2.7689 3.4486 0.9188 1694138 TimTec1_007049 Nc1ccc(NC(=O)CCN2CCOCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A10 compound treatment 0.274 0.26237 1.3676 0.303 0.28273 1.5712 0.363 0.34062 1.9263 2.8088 0.99 1593211 TimTec1_007050 Nn1c(Nc2ccccc2)nc3sc4CCCc4c3c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A11 compound treatment 0.3 0.28837 1.5031 0.189 0.16873 0.9377 0.102 0.07962 0.4503 1.6691 0.9131 1077423 TimTec1_007051 CC(c1ccccc1)n2cncc2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A12 compound treatment 0.115 0.10337 0.5388 -0.007 -0.02727 -0.1515 -0.102 -0.12438 -0.7034 -0.1825 -0.203 3212283 TimTec1_007052 Cn1c(nc2ccccc12)c3nonc3NC(=O)c4cccs4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A13 compound treatment 0.1 0.088374 0.4606 0.445 0.42473 2.3603 -0.192 -0.21438 -1.2124 0.9287 0.3448 3086776 TimTec1_007053 CN(C(=O)C)c1nc(N)n(n1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A14 compound treatment 0.083 0.071374 0.372 -0.014 -0.03427 -0.1904 0.13 0.10762 0.6086 0.4562 0.6179 1377163 TimTec1_007054 COc1ccc(CCNC2(Cc3ccccc3)CC(C)N(C)CC2C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A15 compound treatment 0.086 0.074374 0.3877 -0.118 -0.13827 -0.7684 0.045 0.02262 0.1279 -0.146 -0.1678 3086777 TimTec1_007055 CCCSc1ncnc2sc3CCCCc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A16 compound treatment -0.019 -0.030626 -0.1596 0.248 0.22773 1.2655 0.051 0.02862 0.1619 0.7319 0.5693 1617565 TimTec1_007056 O=C(Oc1ccccn1)C2COc3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A17 compound treatment 0.007 -0.0046255 -0.0241 -0.072 -0.09227 -0.5128 0.052 0.02962 0.1675 -0.2133 -0.3949 1378399 TimTec1_007057 CC(C)Oc1ccccc1C(=O)NC(CO)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A18 compound treatment 0.095 0.083374 0.4346 -0.007 -0.02727 -0.1515 0.061 0.03862 0.2184 0.2895 0.5683 1498887 TimTec1_007058 Cc1ccc(cc1)C(=O)CNc2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A19 compound treatment 0.22 0.20837 1.0861 0.139 0.11873 0.6598 -0.107 -0.12938 -0.7317 0.5856 0.3993 3086778 TimTec1_007059 CCC(C)(C)C(=O)Nc1nnc(s1)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A20 compound treatment 0.064 0.052374 0.273 0.103 0.08273 0.4597 -0.044 -0.06638 -0.3754 0.2063 0.3158 1197829 TimTec1_007060 OC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A21 compound treatment -0.131 -0.14263 -0.7434 0.112 0.09173 0.5098 0.136 0.11362 0.6425 0.2361 0.2133 1218361 TimTec1_007061 CC(C)(C)c1cn2c(nc3ccccc32)n1CCN4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A22 compound treatment 0.08 0.068374 0.3564 0.225 0.20473 1.1377 0.171 0.14862 0.8405 1.3479 0.924 3086779 TimTec1_007062 CCOc1ccc(cc1)C2C(=CN(CCOC)C=C2C(=O)OC)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A23 mock treatment 0.092 0.080374 0.4189 -0.052 -0.07227 -0.4016 -0.055 -0.07738 -0.4376 -0.2427 -0.3338 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 A24 mock treatment -0.109 -0.12063 -0.6287 -0.007 -0.02727 -0.1515 0.177 0.15462 0.8744 0.0543 0.05 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B01 compound treatment 0.089 0.077374 0.4033 0.022 0.00173 0.0096 0.027 0.0046202 0.0261 0.2535 0.627 3212284 TimTec1_007063 O=C(NCCNC1=NS(=O)(=O)c2ccccc12)c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B02 compound treatment -0.091 -0.10263 -0.5349 -0.042 -0.06227 -0.346 0.32 0.29762 1.6831 0.4631 0.2573 1124094 TimTec1_007064 CC1CCN(CC1)C(=O)C2C(C3CC2C=C3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B03 compound treatment 0.175 0.16337 0.8515 0.138 0.11773 0.6542 0.128 0.10562 0.5973 1.2142 0.9881 1411725 TimTec1_007065 Nc1ccc(cc1)c2cn3ccccc3n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B04 compound treatment -0.199 -0.21063 -1.0978 -0.138 -0.15827 -0.8795 -0.126 -0.14838 -0.8391 -1.6261 -0.9928 1787257 TimTec1_007066 Cn1c(=O)[nH]c(=O)c2n(CCN3CCOCC3)cnc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B05 compound treatment -0.053 -0.064626 -0.3368 0.059 0.03873 0.2152 -0.194 -0.21638 -1.2237 -0.7767 -0.6034 1500476 TimTec1_007067 COC1CCCCC1Nc2cc(C)ccc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B06 compound treatment -0.109 -0.12063 -0.6287 -0.165 -0.18527 -1.0296 0.013 -0.0093798 -0.053 -0.988 -0.8182 3212358 TimTec1_007068 COC(=O)COc1ccc2ccccc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B07 compound treatment -0.155 -0.16663 -0.8685 -0.291 -0.31127 -1.7298 -0.147 -0.16938 -0.9579 -2.0531 -0.9507 3086780 TimTec1_007069 Cc1ccc(NCC2COc3ccccc3O2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B08 compound treatment -0.049 -0.060626 -0.316 0.012 -0.00827 -0.046 0.814 0.79162 4.4768 2.3757 0.5293 3212359 TimTec1_007070 FC(F)(F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B09 compound treatment 0.054 0.042374 0.2209 0.127 0.10673 0.5931 -0.029 -0.05138 -0.2906 0.3022 0.4339 3086781 TimTec1_007071 S=c1n(CCC#N)c2ccccc2n1CCC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B10 compound treatment -0.075 -0.086626 -0.4515 0.283 0.26273 1.46 0.258 0.23562 1.3325 1.3516 0.6666 1615066 TimTec1_007072 Cc1cc(nc(n1)N2CCOCC2)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B11 compound treatment -0.037 -0.048626 -0.2534 0.059 0.03873 0.2152 -0.043 -0.06538 -0.3697 -0.2355 -0.4737 1329642 TimTec1_007073 OC(C(O)C(=O)Nc1ccccc1)C(=O)Nc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B12 compound treatment -0.114 -0.12563 -0.6548 0.041 0.02073 0.1152 -0.342 -0.36438 -2.0606 -1.5012 -0.6933 3086783 TimTec1_007074 COc1ccc(cc1)N(C(C(=O)NC2CCCCC2)c3ccc(C)o3)C(=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B13 compound treatment 0.093 0.081374 0.4241 0.236 0.21573 1.1988 0.034 0.01162 0.0657 0.975 0.7657 1156856 TimTec1_007075 COc1ccc(Cl)cc1NC(=O)CN(C2CCCCC2)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B14 compound treatment 0.024 0.012374 0.0645 0.135 0.11473 0.6376 0.059 0.03662 0.2071 0.5249 0.7794 3086785 TimTec1_007076 Cc1cc(N)n(n1)C2CCOC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B15 compound treatment -0.071 -0.082626 -0.4307 0.072 0.05173 0.2875 -0.119 -0.14138 -0.7995 -0.5443 -0.5714 3212360 TimTec1_007077 CN1CCCC(C1)OC(=O)C(C)(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B16 compound treatment -0.179 -0.19063 -0.9936 -0.116 -0.13627 -0.7573 -0.241 -0.26338 -1.4895 -1.8708 -0.9623 1215637 TimTec1_007078 Nc1ccc(CCc2nc3ccccc3o2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B17 compound treatment 0.167 0.15537 0.8098 -0.068 -0.08827 -0.4905 0.167 0.14462 0.8179 0.6565 0.5248 1249972 TimTec1_007079 CN(C)Cc1c(O)ccc2c(C)cc(=O)oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B18 compound treatment -0.163 -0.17463 -0.9102 -0.089 -0.10927 -0.6072 0.019 -0.0033798 -0.0191 -0.8871 -0.8107 1386364 TimTec1_007080 CCn1ccnc1C(O)c2ccc(OC)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B19 compound treatment -0.344 -0.35563 -1.8536 -0.019 -0.03927 -0.2182 -0.242 -0.26438 -1.4951 -2.0594 -0.8612 3086788 TimTec1_007081 CCSc1nsc(SCC)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B20 compound treatment 0.018 0.0063745 0.0332 -0.114 -0.13427 -0.7462 -0.215 -0.23738 -1.3424 -1.1867 -0.7725 3212361 TimTec1_007082 Cc1cc(NC(=O)c2sc(Nc3cccc(c3)C(F)(F)F)nc2N)no1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B21 compound treatment 0.018 0.0063745 0.0332 -0.111 -0.13127 -0.7295 0.112 0.08962 0.5068 -0.1094 -0.123 3086790 TimTec1_007083 CN/1CCC\C1=N/c2ccccc2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B22 compound treatment -0.07 -0.081626 -0.4255 -0.019 -0.03927 -0.2182 0.101 0.07862 0.4446 -0.1149 -0.176 1642345 TimTec1_007084 CCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B23 mock treatment 0.115 0.10337 0.5388 0.08 0.05973 0.3319 0.068 0.04562 0.258 0.6517 0.9536 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 B24 mock treatment 0.031 0.019374 0.101 0.085 0.06473 0.3597 0.161 0.13862 0.7839 0.7186 0.8275 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C01 compound treatment -0.035 -0.046626 -0.243 0.159 0.13873 0.7709 -0.516 -0.53838 -3.0446 -1.453 -0.4613 3086791 TimTec1_007085 O=C(C(Cc1ccccc1)N2C(=O)C3C4CC(C=C4)C3C2=O)N5CCOCC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C02 compound treatment 0.051 0.039374 0.2052 -0.021 -0.04127 -0.2293 -0.047 -0.06938 -0.3924 -0.2404 -0.4822 3212362 TimTec1_007086 COc1ccc(cc1)N2C(=O)CC2(/C=C/c3ccccc3)C(=O)NC4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C03 compound treatment -0.182 -0.19363 -1.0092 -0.079 -0.09927 -0.5517 -0.247 -0.26938 -1.5234 -1.7807 -0.9329 3086839 TimTec1_007087 O=C(CSc1ncnc2sc3CCCCc3c12)OC4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C04 compound treatment -0.249 -0.26063 -1.3584 -0.162 -0.18227 -1.0129 0.028 0.0056202 0.0318 -1.3507 -0.797 1133272 TimTec1_007088 O=C(NCC1CCCO1)C2CCN(CC3CCCCC3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C05 compound treatment -0.068 -0.079626 -0.415 -0.024 -0.04427 -0.246 0.024 0.0016202 0.0092 -0.3764 -0.7799 1372624 TimTec1_007089 CCN(CC)c1nc(nc2ccccc12)c3ccncc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C06 compound treatment -0.119 -0.13063 -0.6809 0.154 0.13373 0.7432 -0.115 -0.13738 -0.7769 -0.4126 -0.3242 1360767 TimTec1_007090 CCC(=O)Nc1sc2CCCCc2c1C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C07 compound treatment -0.058 -0.069626 -0.3629 -0.184 -0.20427 -1.1352 0.099 0.07662 0.4333 -0.6147 -0.4848 3212363 TimTec1_007091 CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)c2c3CCCc3nc4ccccc24)nc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C08 compound treatment -0.198 -0.20963 -1.0926 -0.11 -0.13027 -0.7239 0.123 0.10062 0.569 -0.7203 -0.5041 3086844 TimTec1_007092 Clc1ccc2oc(=O)c(cc2c1)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C09 compound treatment -0.018 -0.029626 -0.1544 0.017 -0.00327 -0.0182 -0.031 -0.05338 -0.3019 -0.2739 -0.8067 3212364 TimTec1_007093 OC(=O)C1Cc2[nH]cnc2C(N1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C10 compound treatment -0.036 -0.047626 -0.2482 0.063 0.04273 0.2375 -0.043 -0.06538 -0.3697 -0.2197 -0.4353 3086846 TimTec1_007094 Cc1cc(C)n(CCSCC(=O)O)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C11 compound treatment -0.066 -0.077626 -0.4046 0.041 0.02073 0.1152 -0.03 -0.05238 -0.2962 -0.3381 -0.6571 1326461 TimTec1_007095 O=C(COc1ccc2ccccc2c1)NCc3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C12 compound treatment 0.206 0.19437 1.0131 0.051 0.03073 0.1708 0.07 0.04762 0.2693 0.839 0.7899 3086847 TimTec1_007096 Cc1csc(NC(=O)c2ccccc2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C13 compound treatment -0.331 -0.34263 -1.7858 -0.318 -0.33827 -1.8798 0.298 0.27562 1.5587 -1.2165 -0.4021 1250239 TimTec1_007097 Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C14 compound treatment 0.033 0.021374 0.1114 0.007 -0.01327 -0.0737 0.045 0.02262 0.1279 0.0956 0.5168 3212365 TimTec1_007098 COc1cc(SC)ccc1C(=O)Nc2nnc(s2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C15 compound treatment 0.017 0.0053745 0.028 -0.072 -0.09227 -0.5128 -0.063 -0.08538 -0.4828 -0.5586 -0.7925 1524512 TimTec1_007099 Nc1ccc2[nH]c(nc2c1)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C16 compound treatment -0.048 -0.059626 -0.3108 0.03 0.00973 0.0541 0.07 0.04762 0.2693 0.0073 0.0175 1424180 TimTec1_007100 OC(=O)c1ccc(NC(=O)C2CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C17 compound treatment 0.088 0.076374 0.3981 0.188 0.16773 0.9321 0.03 0.0076202 0.0431 0.7929 0.7816 1263746 TimTec1_007101 Oc1c2CCCc2nc3cc(nn13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C18 compound treatment -0.036 -0.047626 -0.2482 -0.018 -0.03827 -0.2127 -0.044 -0.06638 -0.3754 -0.4828 -0.97 1917903 TimTec1_007102 OC(=O)c1sc2cc(F)ccc2c1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C19 compound treatment -0.089 -0.10063 -0.5245 -0.095 -0.11527 -0.6406 -0.106 -0.12838 -0.726 -1.0918 -0.9915 1724549 TimTec1_007103 Clc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C20 compound treatment 0.006 -0.0056255 -0.0293 0.042 0.02173 0.1208 0.333 0.31062 1.7566 1.067 0.6059 1611210 TimTec1_007104 COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C21 compound treatment -0.072 -0.083626 -0.4359 0.119 0.09873 0.5487 -0.056 -0.07838 -0.4433 -0.1908 -0.2301 1785828 TimTec1_007105 CCOC(=O)c1c(O)c2CCCCc2[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C22 compound treatment -0.046 -0.057626 -0.3004 -0.118 -0.13827 -0.7684 0.103 0.08062 0.4559 -0.3538 -0.3754 3212366 TimTec1_007106 COc1ccc(cc1OC)C(N(C(=O)c2cc[nH]n2)c3ccc(F)cc3)C(=O)NC4CCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C23 mock treatment -0.012 -0.023626 -0.1231 -0.119 -0.13927 -0.7739 0.018 -0.0043798 -0.0248 -0.5322 -0.6788 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 C24 mock treatment 0.006 -0.0056255 -0.0293 0.11 0.08973 0.4986 0.0 -0.02238 -0.1266 0.1979 0.384 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D01 compound treatment -0.1 -0.11163 -0.5818 -0.138 -0.15827 -0.8795 -0.203 -0.22538 -1.2746 -1.5796 -0.9549 3086852 TimTec1_007107 Oc1ccc(cc1)N(Cc2cccs2)C3=NS(=O)(=O)c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D02 compound treatment 0.033 0.021374 0.1114 0.071 0.05073 0.2819 0.153 0.13062 0.7387 0.6536 0.8185 1609213 TimTec1_007108 Clc1ccc(cc1)c2csc(n2)N3CCNC(=O)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D03 compound treatment 0.108 0.096374 0.5023 -0.036 -0.05627 -0.3127 0.036 0.01362 0.077 0.154 0.258 1349191 TimTec1_007109 Cc1ccc(NC(=O)CC2(C)Nc3ccccc3C(=O)N2c4ccccc4C)c(C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D04 compound treatment -0.178 -0.18963 -0.9884 -0.166 -0.18627 -1.0351 -0.245 -0.26738 -1.5121 -2.0413 -0.9804 1386349 TimTec1_007110 CCCCc1c(nc(N)c(C#N)c1c2ccc(O)c(OC)c2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D05 compound treatment -0.115 -0.12663 -0.66 0.061 0.04073 0.2263 -0.071 -0.09338 -0.5281 -0.5553 -0.6346 3086855 TimTec1_007111 Cc1ccccc1C(=O)N(CC#N)CC#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D06 compound treatment -0.037 -0.048626 -0.2534 -0.03 -0.05027 -0.2794 0.0 -0.02238 -0.1266 -0.3807 -0.9568 3212367 TimTec1_007112 Fc1ccc(NC(=O)CSc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D07 compound treatment -0.05 -0.061626 -0.3212 -0.13 -0.15027 -0.8351 0.103 0.08062 0.4559 -0.4044 -0.4027 1055578 TimTec1_007113 Cc1nc2cc(Cl)ccc2n1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D08 compound treatment 0.148 0.13637 0.7108 -0.048 -0.06827 -0.3794 0.276 0.25362 1.4343 1.0194 0.6197 1411696 TimTec1_007114 Cc1nc2c(nc(C)nc2o1)n3cc(F)c(=O)[nH]c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D09 compound treatment -0.065 -0.076626 -0.3994 0.03 0.00973 0.0541 -0.029 -0.05138 -0.2906 -0.3671 -0.7389 1520665 TimTec1_007115 NNC(=O)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D10 compound treatment 0.07 0.058374 0.3043 0.272 0.25173 1.3989 0.234 0.21162 1.1968 1.6743 0.8973 1312726 TimTec1_007116 CCOc1ccc2[nH]c(=O)c(cc2c1)C(N3CCc4ccccc34)c5nnnn5CCOC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D11 compound treatment 0.078 0.066374 0.346 -0.011 -0.03127 -0.1738 -0.105 -0.12738 -0.7204 -0.3165 -0.387 1686790 TimTec1_007117 CC(=O)N(c1ccccc1)c2nc(C)cc(C)c2C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D12 compound treatment 0.152 0.14037 0.7317 0.228 0.20773 1.1544 0.298 0.27562 1.5587 1.9888 0.9594 3086859 TimTec1_007118 OC(=O)c1cccc2CN(C3CCCCC3)C(=O)c21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D13 compound treatment 0.113 0.10137 0.5284 0.11 0.08973 0.4986 0.181 0.15862 0.897 1.1109 0.9623 3212368 TimTec1_007119 Cc1ccc(cc1F)N(C(C(=O)NC2CCCC2)c3cccs3)C(=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D14 compound treatment 0.019 0.0073745 0.0384 0.169 0.14873 0.8265 -0.025 -0.04738 -0.2679 0.3447 0.3963 3086861 TimTec1_007120 COc1cccc(c1)N(C(C(=O)NC2CCCC2)c3cccs3)C(=O)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D15 compound treatment 0.083 0.071374 0.372 0.024 0.00373 0.0207 0.0 -0.02238 -0.1266 0.1537 0.3905 3086982 TimTec1_007121 CN1CCN(CC1)C(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D16 compound treatment 0.185 0.17337 0.9037 0.265 0.24473 1.36 0.386 0.36362 2.0563 2.4942 0.9499 3212443 TimTec1_007122 COc1cc(cc(OC)c1OC)C(=O)N(Cc2ccccc2)Cc3cc4ccc(C)cc4[nH]c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D17 compound treatment -0.079 -0.090626 -0.4724 0.039 0.01873 0.1041 -0.035 -0.05738 -0.3245 -0.4 -0.6867 1384457 TimTec1_007123 CN(Cc1ccccc1)C(=O)COc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D18 compound treatment 0.131 0.11937 0.6222 0.03 0.00973 0.0541 0.142 0.11962 0.6765 0.781 0.8483 1679436 TimTec1_007124 COc1ccc2CCc3sc(N)nc3-c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D19 compound treatment 0.085 0.073374 0.3824 -0.029 -0.04927 -0.2738 0.022 -3.7977E-4 -0.0021 0.0615 0.1307 1259187 TimTec1_007125 O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)c5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D20 compound treatment 0.384 0.37237 1.9409 0.118 0.09773 0.5431 -0.135 -0.15738 -0.89 0.9203 0.4177 3086919 TimTec1_007126 CC(C)(C)c1cc(c2c(N)c(sc2n1)C(=O)NC3CC3)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D21 compound treatment 0.063 0.051374 0.2678 0.036 0.01573 0.0874 0.075 0.05262 0.2976 0.3769 0.9198 3212444 TimTec1_007127 CCN(CC)Cc1cc(C(=O)O)c(o1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D22 compound treatment 1.011 0.99937 5.1816 0.012 -0.00827 -0.046 0.166 0.14362 0.8122 3.434 0.6547 1398660 TimTec1_007128 Cc1cc(C(=O)O)c2cc(O)ccc2n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D23 mock treatment -0.173 -0.18463 -0.9623 0.105 0.08473 0.4709 -0.024 -0.04638 -0.2623 -0.4352 -0.3945 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 D24 mock treatment 0.0 -0.011626 -0.0606 0.111 0.09073 0.5042 -0.054 -0.07638 -0.4319 0.0067 0.0101 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E01 compound treatment 0.184 0.17237 0.8985 0.048 0.02773 0.1541 0.147 0.12462 0.7048 1.0146 0.8805 1226206 TimTec1_007129 CC(C)(C)CC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E02 compound treatment -0.153 -0.16463 -0.8581 0.036 0.01573 0.0874 -0.008 -0.03038 -0.1718 -0.5441 -0.6187 1700538 TimTec1_007130 CCNc1nc2nonc2nc1NCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E03 compound treatment 0.0 -0.011626 -0.0606 0.159 0.13873 0.7709 -0.028 -0.05038 -0.2849 0.2456 0.298 1567862 TimTec1_007131 Oc1c(C(=O)NC2CCCC2)c(=O)n3CCc4cccc1c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E04 compound treatment 0.025 0.013374 0.0697 -0.02 -0.04027 -0.2238 0.123 0.10062 0.569 0.2396 0.3893 1647305 TimTec1_007132 Cc1cc(on1)C2C(CC(=O)CC2=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E05 compound treatment 0.019 0.0073745 0.0384 0.052 0.03173 0.1763 0.083 0.06062 0.3428 0.3219 0.8309 1721107 TimTec1_007133 COc1cc(OC)cc(c1)C(=O)Nc2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E06 compound treatment -0.032 -0.043626 -0.2274 -0.076 -0.09627 -0.535 0.054 0.03162 0.1788 -0.3369 -0.554 1113188 TimTec1_007134 COc1ccc(cc1)c2onc3ccc(Cl)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E07 compound treatment 0.16 0.14837 0.7734 0.16 0.13973 0.7765 0.513 0.49062 2.7745 2.4967 0.8369 3212445 TimTec1_007135 COc1c2C=CC(=O)C(CC=C(C)C)(OC)c2nc3occc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E08 compound treatment -0.273 -0.28463 -1.4835 -0.053 -0.07327 -0.4072 -0.08 -0.10238 -0.579 -1.4259 -0.8675 1237484 TimTec1_007136 Cc1cc(C)nc(NCC(O)CNc2ccccc2C)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E09 compound treatment -0.006 -0.017626 -0.0919 -0.268 -0.28827 -1.602 -0.222 -0.24438 -1.382 -1.7758 -0.8386 1749456 TimTec1_007137 CCOc1ccc(NC(=O)c2cnccn2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E10 compound treatment 0.063 0.051374 0.2678 0.036 0.01573 0.0874 -0.018 -0.04038 -0.2284 0.0732 0.2019 1786928 TimTec1_007138 CCOc1ccc2nc(SCC(=O)OC3CCCCC3)c(C)cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E11 compound treatment 0.077 0.065374 0.3407 -0.038 -0.05827 -0.3238 -0.077 -0.09938 -0.562 -0.3147 -0.4295 1398984 TimTec1_007139 Clc1ccc(cc1)n2c(=O)c3cc4c(=O)n(c5ccc(Cl)cc5)c(=O)c4cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E12 compound treatment 0.029 0.017374 0.0906 0.594 0.57373 3.1883 0.462 0.43962 2.4861 3.3284 0.823 1228877 TimTec1_007140 C(Nc1c2CCCc2nc3ccccc13)c4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E13 compound treatment 0.135 0.12337 0.6431 0.062 0.04173 0.2319 -0.095 -0.11738 -0.6638 0.1219 0.1279 3212446 TimTec1_007141 COC(=O)CC1OC(=O)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E14 compound treatment 0.482 0.47037 2.4517 0.069 0.04873 0.2708 0.27 0.24762 1.4003 2.3803 0.8392 1386546 TimTec1_007142 CC1CC(C)CN(CCC(=O)Nc2ccccc2)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E15 compound treatment 0.099 0.087374 0.4554 0.014 -0.00627 -0.0348 0.26 0.23762 1.3438 1.0187 0.7177 1311552 TimTec1_007143 O=C(Nc1ccncc1)C2COc3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E16 compound treatment 0.09 0.078374 0.4085 0.0 -0.02027 -0.1126 0.242 0.21962 1.242 0.8879 0.6766 1687129 TimTec1_007144 O=C(NCC1CCCO1)c2ccc(CN3CCc4ccccc4C3)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E17 compound treatment 0.073 0.061374 0.3199 -0.062 -0.08227 -0.4572 -0.181 -0.20338 -1.1502 -0.7433 -0.5815 3212447 TimTec1_007145 CCCCc1n[nH]c2CC(C/C(=N/O)/c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E18 compound treatment 0.037 0.025374 0.1323 -0.046 -0.06627 -0.3683 0.167 0.14462 0.8179 0.3359 0.3705 1208623 TimTec1_007146 CCCc1nc2ccccc2n1CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E19 compound treatment 0.255 0.24337 1.2685 -0.057 -0.07727 -0.4294 -0.088 -0.11038 -0.6242 0.1241 0.084 3212448 TimTec1_007147 CCN(CC)CC(=O)OC1CC2CCC1(C)C2(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E20 compound treatment -0.041 -0.052626 -0.2743 0.053 0.03273 0.1819 0.308 0.28562 1.6152 0.8792 0.5334 1568959 TimTec1_007148 CC1CCc2c(C(=O)N3CCCCC3)c(NC(=O)c4ccccc4)sc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E21 compound treatment -0.108 -0.11963 -0.6235 -0.03 -0.05027 -0.2794 -0.055 -0.07738 -0.4376 -0.7739 -0.9539 1089037 TimTec1_007149 O=C(Nc1ccccc1)C2C(C3CC2C=C3)C(=O)Nc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E22 compound treatment 0.151 0.13937 0.7265 0.197 0.17673 0.9821 0.149 0.12662 0.7161 1.3999 0.9886 1510856 TimTec1_007150 COc1ccc(NC(=O)CCN2CCCCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E23 mock treatment -0.018 -0.029626 -0.1544 -0.092 -0.11227 -0.6239 0.013 -0.0093798 -0.053 -0.48 -0.7443 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 E24 mock treatment 0.515 0.50337 2.6237 0.051 0.03073 0.1708 -0.079 -0.10138 -0.5733 1.2824 0.4765 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F01 compound treatment 0.11 0.098374 0.5128 0.085 0.06473 0.3597 -0.028 -0.05038 -0.2849 0.3392 0.493 3212449 TimTec1_007151 COc1ccc(cc1)C(O)CNc2ccc(C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F02 compound treatment -0.085 -0.096626 -0.5036 -0.041 -0.06127 -0.3405 0.082 0.05962 0.3372 -0.2927 -0.421 1155968 TimTec1_007152 CC(C)C1Nc2ccc(cc2C3C=CCC31)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F03 compound treatment 0.027 0.015374 0.0801 0.128 0.10773 0.5987 0.167 0.14462 0.8179 0.8641 0.8499 1259120 TimTec1_007153 CC(=O)Nc1c([nH]c2ccccc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F04 compound treatment -0.179 -0.19063 -0.9936 0.167 0.14673 0.8154 0.241 0.21862 1.2363 0.6109 0.3426 3212450 TimTec1_007154 Cc1ccc2[nH]c(=O)c(CN(C3CCCCC3)C(=O)c4cccs4)cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F05 compound treatment 0.154 0.14237 0.7421 0.13 0.10973 0.6098 -0.076 -0.09838 -0.5564 0.4593 0.4138 1251350 TimTec1_007155 COc1ccc(CNCc2ccco2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F06 compound treatment -0.142 -0.15363 -0.8007 -0.145 -0.16527 -0.9184 0.051 0.02862 0.1619 -0.8991 -0.7315 1187651 TimTec1_007156 OCc1ccccc1CNC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F07 compound treatment 0.293 0.28137 1.4666 0.174 0.15373 0.8543 -0.067 -0.08938 -0.5055 1.0481 0.5919 3086933 TimTec1_007157 Clc1ccc(Cn2nnc(n2)c3ccccc3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F08 compound treatment -0.059 -0.070626 -0.3681 -0.048 -0.06827 -0.3794 0.143 0.12062 0.6821 -0.0377 -0.0437 1430421 TimTec1_007158 Cc1cccc(NC(=O)C2(CCOCC2)c3ccccc3)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F09 compound treatment -0.08 -0.091626 -0.4776 0.116 0.09573 0.532 0.31 0.28762 1.6265 0.9705 0.5462 1706906 TimTec1_007159 O=C(Cc1cccs1)Nc2cccc(c2)c3nnc(o3)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F10 compound treatment 0.07 0.058374 0.3043 0.144 0.12373 0.6876 0.027 0.0046202 0.0261 0.5877 0.7812 1276179 TimTec1_007160 OCC(C(=O)OC1CN2CCC1CC2)(c3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F11 compound treatment 0.088 0.076374 0.3981 0.346 0.32573 1.8101 0.333 0.31062 1.7566 2.2891 0.8964 1576381 TimTec1_007161 CCN1CCN(CC1)C(=O)c2ccc(NC(=O)C)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F12 compound treatment -0.082 -0.093626 -0.488 -0.108 -0.12827 -0.7128 -0.163 -0.18538 -1.0484 -1.2986 -0.9559 1346949 TimTec1_007162 O=C(NC(c1ccccc1)c2ccccc2)C3COC4C=CC=CC4O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F13 compound treatment 0.007 -0.0046255 -0.0241 -0.14 -0.16027 -0.8906 0.269 0.24662 1.3947 0.2771 0.1674 3086988 TimTec1_007163 CCCN1C(=O)C(O)(C/C(=N\O)/C)c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F14 compound treatment 0.007 -0.0046255 -0.0241 0.072 0.05173 0.2875 0.009 -0.01338 -0.0757 0.1084 0.3634 1714688 TimTec1_007164 Cc1ccc(cc1)C2(CC(=O)Nc3ccccc3C)CCOC(C)(C)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F15 compound treatment -0.096 -0.10763 -0.561 -0.094 -0.11427 -0.635 0.165 0.14262 0.8065 -0.2248 -0.1922 1704815 TimTec1_007165 O=C(Cc1cccs1)NC(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F16 compound treatment 0.186 0.17437 0.9089 -0.132 -0.15227 -0.8462 -0.128 -0.15038 -0.8504 -0.4548 -0.3022 3212451 TimTec1_007166 O=C(NC1CCCC1)C(N(Cc2cccs2)C(=O)c3csnn3)c4ccncc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F17 compound treatment -0.139 -0.15063 -0.7851 -0.023 -0.04327 -0.2405 0.152 0.12962 0.733 -0.1689 -0.1534 3086991 TimTec1_007167 CCCC(NC(=O)c1ccco1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F18 compound treatment 0.004 -0.0076255 -0.0397 -0.006 -0.02627 -0.146 0.06 0.03762 0.2127 0.0156 0.0597 1420604 TimTec1_007168 C(CN1CCNCC1)OC(c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F19 compound treatment -0.114 -0.12563 -0.6548 -0.193 -0.21327 -1.1852 0.107 0.08462 0.4785 -0.786 -0.5473 1477182 TimTec1_007169 O=C(CC1c2ccccc2Oc3ccccc13)NCc4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F20 compound treatment -0.1 -0.11163 -0.5818 -0.041 -0.06127 -0.3405 0.133 0.11062 0.6256 -0.1713 -0.1863 3212452 TimTec1_007170 COc1ccc(cc1)C(=O)CN2C(=O)COc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F21 compound treatment 0.108 0.096374 0.5023 -0.222 -0.24227 -1.3463 -0.137 -0.15938 -0.9013 -1.0077 -0.594 3086994 TimTec1_007171 CCc1ccc(CN2CCNCC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F22 compound treatment -0.041 -0.052626 -0.2743 0.184 0.16373 0.9099 -0.019 -0.04138 -0.234 0.2318 0.2369 3212453 TimTec1_007172 O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc3ccccc3N4CCOCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F23 mock treatment -0.105 -0.11663 -0.6079 -0.094 -0.11427 -0.635 -0.16 -0.18238 -1.0314 -1.3131 -0.9689 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 F24 mock treatment -0.06 -0.071626 -0.3733 0.175 0.15473 0.8599 0.188 0.16562 0.9366 0.8217 0.6201 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G01 compound treatment -0.122 -0.13363 -0.6965 0.227 0.20673 1.1488 -0.102 -0.12438 -0.7034 -0.1449 -0.0956 3086996 TimTec1_007173 Cc1cc(C)nc(SCC(=O)C2CC2)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G02 compound treatment -0.138 -0.14963 -0.7799 -0.105 -0.12527 -0.6961 0.013 -0.0093798 -0.053 -0.8828 -0.8434 1541773 TimTec1_007174 COc1ccc2nc(sc2c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G03 compound treatment 0.051 0.039374 0.2052 -0.092 -0.11227 -0.6239 0.086 0.06362 0.3598 -0.034 -0.0454 1164972 TimTec1_007175 Oc1cccnc1NC(=O)c2c(O)c3cccc4CCn(c2=O)c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G04 compound treatment -0.068 -0.079626 -0.415 0.06 0.03973 0.2208 0.157 0.13462 0.7613 0.3274 0.3659 1545465 TimTec1_007176 CC(C)CC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G05 compound treatment 0.039 0.027374 0.1427 -0.165 -0.18527 -1.0296 0.124 0.10162 0.5747 -0.1803 -0.1518 1921627 TimTec1_007177 OC1CC(N(Cc2ccccc2)C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G06 compound treatment 0.036 0.024374 0.127 0.178 0.15773 0.8765 0.3 0.27762 1.57 1.4859 0.8243 1246123 TimTec1_007178 CC(C)C(=O)Nc1sc(C)c(C)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G07 compound treatment 0.064 0.052374 0.273 0.082 0.06173 0.343 0.073 0.05062 0.2863 0.5209 0.9949 1253428 TimTec1_007179 Brc1ccc(cc1)C(=O)CCN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G08 compound treatment -0.041 -0.052626 -0.2743 0.064 0.04373 0.243 0.171 0.14862 0.8405 0.4672 0.5095 1492540 TimTec1_007180 CCc1ccc(cc1)c2ccc(C(=O)O)n2C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G09 compound treatment -0.105 -0.11663 -0.6079 -0.172 -0.19227 -1.0685 0.157 0.13462 0.7613 -0.5283 -0.3654 1193373 TimTec1_007181 O=C(Cn1nnc(n1)c2ccccc2)Nc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G10 compound treatment 0.02 0.0083745 0.0436 0.076 0.05573 0.3097 0.107 0.08462 0.4785 0.4803 0.8401 1348653 TimTec1_007182 CN(C)CCOC(=O)c1cc2ccccc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G11 compound treatment 0.023 0.011374 0.0593 0.025 0.00473 0.0263 -0.148 -0.17038 -0.9635 -0.5069 -0.5249 3212764 TimTec1_007183 CC(C)CSc1ncnc2scc(c3ccccc3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G12 compound treatment 0.068 0.056374 0.2938 0.064 0.04373 0.243 -0.099 -0.12138 -0.6864 -0.0864 -0.11 3087000 TimTec1_007184 CCSc1cc(C)nc(NC(=O)CC)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G13 compound treatment 0.284 0.27237 1.4197 -0.063 -0.08327 -0.4627 0.165 0.14262 0.8065 1.0181 0.5999 3212765 TimTec1_007185 CC1(CC2CC(C)(C)C1)CN2C(=O)c3ccccc3NC(=O)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G14 compound treatment 0.007 -0.0046255 -0.0241 -0.078 -0.09827 -0.5461 0.103 0.08062 0.4559 -0.066 -0.0927 1024239 TimTec1_007186 COc1ccc(cc1)C(=O)CCN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G15 compound treatment 0.0 -0.011626 -0.0606 -0.042 -0.06227 -0.346 0.153 0.13062 0.7387 0.1917 0.2344 1148203 TimTec1_007187 Nc1c(C#N)c(NCC=C)sc1C(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G16 compound treatment 0.115 0.10337 0.5388 0.179 0.15873 0.8821 0.521 0.49862 2.8198 2.4484 0.8152 3087003 TimTec1_007188 O=c1[nH]cnc2c1sc3nc(cc(c4ccccc4)c32)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G17 compound treatment 0.011 -6.2552E-4 -0.0033 -0.089 -0.10927 -0.6072 -0.018 -0.04038 -0.2284 -0.4843 -0.7465 1761275 TimTec1_007189 Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c4ccccc4)c(=O)[nH]c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G18 compound treatment -0.075 -0.086626 -0.4515 -0.029 -0.04927 -0.2738 0.096 0.07362 0.4163 -0.1784 -0.2653 1350623 TimTec1_007190 Clc1ccccc1C2CC(=O)NC(=C2C#N)SCC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G19 compound treatment -0.063 -0.074626 -0.389 0.101 0.08073 0.4486 0.169 0.14662 0.8292 0.5132 0.5032 1434575 TimTec1_007191 CC(SCCc1ccccn1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G20 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 0.222 0.19962 1.1289 0.5517 0.4856 1246459 TimTec1_007192 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(OC)cc3)C(=O)CCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G21 compound treatment -0.016 -0.027626 -0.144 -0.128 -0.14827 -0.824 -0.329 -0.35138 -1.9871 -1.7061 -0.7913 1436571 TimTec1_007193 Cc1ccc(cc1)c2cc3nc(cc(N)n3n2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G22 compound treatment -0.047 -0.058626 -0.3056 0.034 0.01373 0.0763 0.086 0.06362 0.3598 0.0754 0.1576 1384558 TimTec1_007194 Clc1ccccc1NC(=O)C2(CCOCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G23 mock treatment -0.017 -0.028626 -0.1492 0.245 0.22473 1.2489 -0.11 -0.13238 -0.7486 0.2027 0.1385 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 G24 mock treatment 0.108 0.096374 0.5023 0.012 -0.00827 -0.046 -0.116 -0.13838 -0.7826 -0.1883 -0.2023 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H01 compound treatment -0.083 -0.094626 -0.4932 -0.191 -0.21127 -1.1741 0.0 -0.02238 -0.1266 -1.0357 -0.8093 1215845 TimTec1_007195 Cc1cc(C(=O)OCC(=O)c2cccs2)c3ccccc3n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H02 compound treatment 0.0 -0.011626 -0.0606 0.127 0.10673 0.5931 0.055 0.03262 0.1845 0.414 0.6633 1761483 TimTec1_007196 Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c4ccco4)cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H03 compound treatment 0.013 0.0013745 0.0072 0.048 0.02773 0.1541 0.057 0.03462 0.1958 0.2061 0.827 3212766 TimTec1_007197 CC(C)OC(=O)CSc1ncnc2scc(c3ccccc3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H04 compound treatment -0.099 -0.11063 -0.5766 0.384 0.36373 2.0213 0.314 0.29162 1.6492 1.7862 0.6686 3087045 TimTec1_007198 OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H05 compound treatment 0.037 0.025374 0.1323 0.109 0.08873 0.4931 0.079 0.05662 0.3202 0.5459 0.9059 1782560 TimTec1_007199 O=C(CCNc1n[nH]c(=O)[nH]c1=O)NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H06 compound treatment 0.017 0.0053745 0.028 0.018 -0.00227 -0.0126 0.118 0.09562 0.5408 0.3211 0.5928 1787855 TimTec1_007200 COc1ccccc1NC(=O)C(Cc2ccc(C)cc2)C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H07 compound treatment 0.043 0.031374 0.1635 0.017 -0.00327 -0.0182 0.028 0.0056202 0.0318 0.1023 0.6103 3212767 TimTec1_007201 Cc1ccc(N/C=C\2/C3CCC(C)(C2=O)C3(C)C)cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H08 compound treatment 0.181 0.16937 0.8828 0.198 0.17773 0.9877 -0.089 -0.11138 -0.6299 0.7163 0.4883 3212768 TimTec1_007202 CC1(C)CC(CCNCc2ccc3OCOc3c2)(Cc4ccccc4)CCO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H09 compound treatment -0.089 -0.10063 -0.5245 0.079 0.05873 0.3264 -0.093 -0.11538 -0.6525 -0.4911 -0.5466 3087048 TimTec1_007203 CN1CCN(CC1)c2nc(nc3ccccc23)N4CCN(CCO)CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H10 compound treatment 0.017 0.0053745 0.028 0.32 0.29973 1.6656 0.216 0.19362 1.095 1.61 0.8076 1914315 TimTec1_007204 CC(=O)N/C(=C\c1ccccc1)/C(=O)Nc2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H11 compound treatment 0.041 0.029374 0.1531 0.063 0.04273 0.2375 0.139 0.11662 0.6595 0.6063 0.845 1295223 TimTec1_007205 Cc1ccc(cc1)C(=O)c2c(NC(=O)c3ccncc3)sc4CCCCc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H12 compound treatment 0.0 -0.011626 -0.0606 0.164 0.14373 0.7987 0.08 0.05762 0.3259 0.6143 0.7104 3087050 TimTec1_007206 OC(=O)CSc1ncnc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H13 compound treatment -0.073 -0.084626 -0.4411 -0.103 -0.12327 -0.685 -0.057 -0.07938 -0.4489 -0.9093 -0.9775 1660199 TimTec1_007207 CCOc1cc(CN2CCN(CC2)C(=O)CC(C)C)ccc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H14 compound treatment 0.252 0.24037 1.2529 0.0 -0.02027 -0.1126 -0.125 -0.14738 -0.8335 0.1771 0.1174 1413084 TimTec1_007208 OC(=O)CSCC(=O)Nc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H15 compound treatment 0.281 0.26937 1.404 -0.018 -0.03827 -0.2127 0.25 0.22762 1.2872 1.431 0.7466 1396450 TimTec1_007209 COc1ccc(cc1)c2ccc(CCC(=O)O)o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H16 compound treatment 0.027 0.015374 0.0801 0.123 0.10273 0.5709 -0.006 -0.02838 -0.1605 0.2832 0.4733 3212769 TimTec1_007210 O=S(=O)(NC1CC2CCC1C2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H17 compound treatment 0.048 0.036374 0.1896 -0.082 -0.10227 -0.5683 -0.082 -0.10438 -0.5903 -0.5595 -0.6652 1132422 TimTec1_007211 CC(C)CCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H18 compound treatment 0.058 0.046374 0.2417 0.086 0.06573 0.3653 0.077 0.05462 0.3089 0.5288 0.9866 1184017 TimTec1_007212 Oc1c(ccc2cccnc12)C(NC(=O)c3ccccc3)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H19 compound treatment 0.436 0.42437 2.2119 0.06 0.03973 0.2208 0.042 0.01962 0.111 1.4686 0.6598 1526246 TimTec1_007213 CCOc1ccc(cc1)c2cn3CCn4cccc4-c3c2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H20 compound treatment -0.086 -0.097626 -0.5088 -0.1 -0.12027 -0.6684 0.0 -0.02238 -0.1266 -0.7527 -0.8861 1615914 TimTec1_007214 C(C1CCCCC1)N2CCN(Cc3ccccc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H21 compound treatment -0.029 -0.040626 -0.2117 -0.065 -0.08527 -0.4739 -0.066 -0.08838 -0.4998 -0.6844 -0.9498 3212770 TimTec1_007215 FC(F)(F)C(=O)N(Cc1ccccc1)C(C(=O)NC2CCCC2)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H22 compound treatment 0.006 -0.0056255 -0.0293 0.358 0.33773 1.8768 0.448 0.42562 2.407 2.4563 0.8047 1324827 TimTec1_007216 COc1ccc(CNC(C)c2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H23 mock treatment 0.237 0.22537 1.1747 -0.017 -0.03727 -0.2071 0.012 -0.01038 -0.0587 0.5247 0.4394 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 H24 mock treatment 0.024 0.012374 0.0645 0.066 0.04573 0.2541 0.012 -0.01038 -0.0587 0.1501 0.5586 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I01 compound treatment 0.122 0.11037 0.5753 0.09 0.06973 0.3875 0.111 0.08862 0.5012 0.8452 0.9877 3087054 TimTec1_007217 CCN(CC)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I02 compound treatment -0.07 -0.081626 -0.4255 0.46 0.43973 2.4437 -0.199 -0.22138 -1.2519 0.4424 0.1592 3212771 TimTec1_007218 COc1cccc2cc(C(=O)Nc3ccccc3c4nnn(CC(=O)NC(C)(C)C)n4)c(=O)oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I03 compound treatment 0.014 0.0023745 0.0124 0.229 0.20873 1.1599 -0.034 -0.05638 -0.3188 0.4928 0.4096 1785833 TimTec1_007219 CCCNC(=O)c1c(O)c2CCCCc2[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I04 compound treatment 3.928 3.9164 8.6518 -0.024 -0.04427 -0.246 -0.205 -0.22738 -1.2859 4.1107 0.4698 1143730 TimTec1_007220 CC1(C)CC(CCO1)(C(CO)CNCc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I05 compound treatment -0.399 -0.41063 -2.1403 0.074 0.05373 0.2986 0.09 0.06762 0.3824 -0.8425 -0.3839 1623536 TimTec1_007221 OC1=C(COC1=O)C(=O)c2ccc(Cl)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I06 compound treatment 0.082 0.070374 0.3668 0.011 -0.00927 -0.0515 0.222 0.19962 1.1289 0.8338 0.7018 1590931 TimTec1_007222 O=S(=O)(CC(CN1CCCCC1)N2CCCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I07 compound treatment -0.089 -0.10063 -0.5245 -0.046 -0.06627 -0.3683 0.057 0.03462 0.1958 -0.4024 -0.6005 1668547 TimTec1_007223 Oc1ccc(cc1)c2cccc(n2)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I08 compound treatment -0.006 -0.017626 -0.0919 0.06 0.03973 0.2208 0.06 0.03762 0.2127 0.1973 0.6163 1147480 TimTec1_007224 Cc1c(C#N)c(NC(=O)c2cccs2)sc1C(=O)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I09 compound treatment -0.078 -0.089626 -0.4671 0.041 0.02073 0.1152 -0.018 -0.04038 -0.2284 -0.335 -0.6291 1394770 TimTec1_007225 OCCCc1cn(c2ccccc2)c3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I10 compound treatment 0.119 0.10737 0.5597 0.018 -0.00227 -0.0126 0.025 0.0026202 0.0148 0.3244 0.5793 1050975 TimTec1_007226 Cc1ccc(cc1)c2nnc(o2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I11 compound treatment 0.169 0.15737 0.8203 0.162 0.14173 0.7876 0.019 -0.0033798 -0.0191 0.9173 0.8065 1459697 TimTec1_007227 COc1cc(NC(=O)CCN2CCC(C)CC2)cc(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I12 compound treatment 0.051 0.039374 0.2052 0.056 0.03573 0.1986 -0.027 -0.04938 -0.2793 0.0719 0.18 1104871 TimTec1_007228 COC(=O)c1ccc2[n+]([O-])onc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I13 compound treatment 0.013 0.0013745 0.0072 0.127 0.10673 0.5931 -0.115 -0.13738 -0.7769 -0.102 -0.1043 1491293 TimTec1_007229 COc1ccc2CC(O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I14 compound treatment 0.281 0.26937 1.404 -0.066 -0.08627 -0.4794 0.102 0.07962 0.4503 0.7938 0.512 3087121 TimTec1_007230 CC(Oc1ccccc1)C(=O)Nc2nnc(s2)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I15 compound treatment 0.341 0.32937 1.7168 0.101 0.08073 0.4486 0.353 0.33062 1.8697 2.3297 0.9038 1557638 TimTec1_007231 O=C(CCN1CCc2ccccc2C1)Nc3ccc4CCCc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I16 compound treatment -0.099 -0.11063 -0.5766 -0.069 -0.08927 -0.4961 0.182 0.15962 0.9027 -0.0982 -0.0832 1332636 TimTec1_007232 NC(=O)CC1Sc2ccccc2NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I17 compound treatment 11.731 11.719 10.504 -0.186 -0.20627 -1.1463 0.127 0.10462 0.5916 5.7442 0.5428 1711213 TimTec1_007233 CN(CCC(=O)Nc1ccc2OCOc2c1)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I18 compound treatment 0.412 0.40037 2.0868 0.247 0.22673 1.26 -0.037 -0.05938 -0.3358 1.7384 0.7065 3212772 TimTec1_007234 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)/C=C/c3ccco3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I19 compound treatment -0.113 -0.12463 -0.6496 -0.094 -0.11427 -0.635 0.014 -0.0083798 -0.0474 -0.769 -0.8454 3087124 TimTec1_007235 CC1Oc2ccccc2OC1C(=O)N3CCOCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I20 compound treatment -0.15 -0.16163 -0.8424 0.012 -0.00827 -0.046 -0.123 -0.14538 -0.8221 -0.9876 -0.8383 1059391 TimTec1_007236 N1NC(=NN=C1c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I21 compound treatment -0.099 -0.11063 -0.5766 0.081 0.06073 0.3375 0.025 0.0026202 0.0148 -0.1295 -0.1938 1417338 TimTec1_007237 CCCCN(C)C(=O)C1CCN(Cc2ccc(OCC)cc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I22 compound treatment 0.038 0.026374 0.1375 0.129 0.10873 0.6042 0.037 0.01462 0.0827 0.476 0.7613 1447122 TimTec1_007238 O=C(COC(=O)c1ccccc1c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I23 mock treatment 0.039 0.027374 0.1427 0.038 0.01773 0.0985 -0.052 -0.07438 -0.4206 -0.1036 -0.2277 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 I24 mock treatment -0.054 -0.065626 -0.3421 0.113 0.09273 0.5153 0.108 0.08562 0.4842 0.3796 0.4832 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J01 compound treatment 0.122 0.11037 0.5753 0.118 0.09773 0.5431 0.2 0.17762 1.0045 1.2256 0.9586 3087127 TimTec1_007239 O=C(CCCc1ccccc1)Nc2ccc3OCCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J02 compound treatment -0.093 -0.10463 -0.5453 0.077 0.05673 0.3153 0.025 0.0026202 0.0148 -0.1243 -0.1972 1381726 TimTec1_007240 CC(C)CC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cccnc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J03 compound treatment 0.034 0.022374 0.1166 0.042 0.02173 0.1208 0.315 0.29262 1.6548 1.0925 0.6568 3087128 TimTec1_007241 O=C(Cc1ccccc1)N2CCN(CC2)C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J04 compound treatment 1.185 1.1734 5.6187 -0.103 -0.12327 -0.685 0.0 -0.02238 -0.1266 2.7754 0.4902 3212853 TimTec1_007242 COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C1c3ccsc3)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J05 compound treatment 0.1 0.088374 0.4606 -0.012 -0.03227 -0.1793 0.039 0.01662 0.094 0.2167 0.4306 3087130 TimTec1_007243 O=C(NCCC1=CCCCC1)c2ccc3snnc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J06 compound treatment 0.141 0.12937 0.6743 0.031 0.01073 0.0596 -0.059 -0.08138 -0.4602 0.158 0.1931 3212854 TimTec1_007244 Cc1ccc2nc(NC(=O)C(F)(F)F)sc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J07 compound treatment -0.098 -0.10963 -0.5714 0.064 0.04373 0.243 0.066 0.04362 0.2467 -0.0472 -0.0706 3212855 TimTec1_007245 O=C(CC1CC2CCC1C2)NCc3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J08 compound treatment -0.048 -0.059626 -0.3108 0.048 0.02773 0.1541 -0.058 -0.08038 -0.4546 -0.3529 -0.6172 3087132 TimTec1_007246 CCCC(C)C(=O)Nc1nnc(s1)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J09 compound treatment 0.604 0.59237 3.0876 0.474 0.45373 2.5215 0.589 0.56662 3.2043 5.0884 0.9949 1343394 TimTec1_007247 Cc1ccc(cc1)c2ccc(CCC(=O)O)[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J10 compound treatment -0.048 -0.059626 -0.3108 0.245 0.22473 1.2489 0.113 0.09062 0.5125 0.8375 0.6046 3087133 TimTec1_007248 CN(C)c1ccc(cc1)C(CC=C)NCc2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J11 compound treatment 0.082 0.070374 0.3668 0.025 0.00473 0.0263 0.038 0.01562 0.0883 0.278 0.7349 1169499 TimTec1_007249 CC(C)CNC(=O)c1ccc(Br)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J12 compound treatment 0.06 0.048374 0.2521 0.09 0.06973 0.3875 -0.08 -0.10238 -0.579 0.035 0.0473 1620830 TimTec1_007250 NS(=O)(=O)c1cccc(c1)C(=O)NCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J13 compound treatment 0.055 0.043374 0.2261 0.209 0.18873 1.0488 0.297 0.27462 1.553 1.6327 0.865 1204293 TimTec1_007251 Nc1ncnc2[nH]c(SCc3nc4ccccc4n3Cc5ccccc5)nc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J14 compound treatment 0.04 0.028374 0.1479 -0.012 -0.03227 -0.1793 0.407 0.38462 2.1751 1.2376 0.5658 1737852 TimTec1_007252 OC(=O)c1ccc(cc1)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J15 compound treatment -0.013 -0.024626 -0.1284 -0.117 -0.13727 -0.7628 0.305 0.28262 1.5983 0.4082 0.2299 3212856 TimTec1_007253 CCCC(C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J16 compound treatment 0.388 0.37637 1.9618 -0.121 -0.14127 -0.7851 0.063 0.04062 0.2297 0.812 0.382 1787669 TimTec1_007254 OC(COCC1CCC=CC1)CN(Cc2ccccc2)Cc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J17 compound treatment -0.014 -0.025626 -0.1336 0.037 0.01673 0.093 0.0 -0.02238 -0.1266 -0.0965 -0.4681 1458427 TimTec1_007255 Oc1ccc(CN2CCCCC2)nc1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J18 compound treatment -0.017 -0.028626 -0.1492 0.042 0.02173 0.1208 0.071 0.04862 0.275 0.1423 0.4244 1535978 TimTec1_007256 Oc1ccc2ccccc2c1C(NC(=O)CCc3ccccc3)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J19 compound treatment 0.174 0.16237 0.8463 0.123 0.10273 0.5709 -0.046 -0.06838 -0.3867 0.595 0.545 1729058 TimTec1_007257 CCOC(=O)c1c[nH]c2c(cccc2c1=O)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J20 compound treatment 0.152 0.14037 0.7317 0.115 0.09473 0.5264 0.074 0.05162 0.2919 0.8949 0.9445 1266090 TimTec1_007258 O=C(N1CCN(CC1)c2ncnc3sc4CCCCc4c23)c5ccco5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J21 compound treatment 3.315 3.3034 8.2782 3.338 3.3177 8.8198 3.178 3.1556 8.8468 14.9792 0.9995 1722077 TimTec1_007259 OC(=O)C1CNC(S1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J22 compound treatment -0.08 -0.091626 -0.4776 0.045 0.02473 0.1374 0.006 -0.01638 -0.0926 -0.2499 -0.4943 1633478 TimTec1_007260 OC(=O)c1c(NC(=O)c2ccc(F)cc2)scc1c3cccs3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J23 mock treatment 0.088 0.076374 0.3981 0.029 0.00873 0.0485 -0.012 -0.03438 -0.1944 0.1456 0.3267 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 J24 mock treatment -0.035 -0.046626 -0.243 0.023 0.00273 0.0152 -0.024 -0.04638 -0.2623 -0.283 -0.7907 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K01 compound treatment 0.021 0.0093745 0.0489 0.026 0.00573 0.0318 0.181 0.15862 0.897 0.5645 0.628 3087134 TimTec1_007261 Nc1c(sc2nc(cc(c12)C(F)(F)F)c3cccs3)C(=O)N4CCCCC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K02 compound treatment -0.096 -0.10763 -0.561 -0.053 -0.07327 -0.4072 0.007 -0.01538 -0.087 -0.6092 -0.872 3212857 TimTec1_007262 Cc1cnc(cn1)C(=O)Nc2ccccc2c3nnn(CC(=O)NC4CCCC4)n3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K03 compound treatment -0.02 -0.031626 -0.1648 -0.051 -0.07127 -0.3961 0.013 -0.0093798 -0.053 -0.3545 -0.82 1132974 TimTec1_007263 CC1CCCN(C1)C(=O)C2CCN(CC3CCCCC3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K04 compound treatment 0.164 0.15237 0.7942 -0.072 -0.09227 -0.5128 0.03 0.0076202 0.0431 0.1874 0.198 3212858 TimTec1_007264 COC(=O)C1C(C(=C(CC1(C)O)Nc2ccc(C)cc2)C(=O)OC)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K05 compound treatment 0.029 0.017374 0.0906 0.052 0.03173 0.1763 -0.012 -0.03438 -0.1944 0.0418 0.1507 1418415 TimTec1_007265 COc1ccc(cc1OC)C(C)N(C)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K06 compound treatment 0.228 0.21637 1.1278 -0.229 -0.24927 -1.3852 0.365 0.34262 1.9376 0.97 0.3681 1367310 TimTec1_007266 OC(=O)C1CN(C(=O)C1)c2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K07 compound treatment 0.086 0.074374 0.3877 -0.024 -0.04427 -0.246 0.238 0.21562 1.2194 0.7858 0.6031 1749464 TimTec1_007267 COC(=O)c1cccc(NC(=O)c2cnccn2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K08 compound treatment 0.401 0.38937 2.0295 0.247 0.22673 1.26 0.49 0.46762 2.6445 3.426 0.9614 1509871 TimTec1_007268 CCC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K09 compound treatment 0.086 0.074374 0.3877 0.018 -0.00227 -0.0126 -0.12 -0.14238 -0.8052 -0.2483 -0.2779 1244693 TimTec1_007269 CCN1CCCC1CNC(=O)c2ccccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K10 compound treatment 0.0 -0.011626 -0.0606 0.162 0.14173 0.7876 0.032 0.0096202 0.0544 0.4512 0.5698 1569404 TimTec1_007270 C1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K11 compound treatment 0.072 0.060374 0.3147 0.088 0.06773 0.3764 0.013 -0.0093798 -0.053 0.3684 0.7465 1600050 TimTec1_007271 Brc1ccc(cc1)C(=O)COC(=O)CSc2cccc3cccnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K12 compound treatment -0.448 -0.45963 -2.3957 -0.293 -0.31327 -1.7409 -0.329 -0.35138 -1.9871 -3.5355 -0.9914 1451391 TimTec1_007272 Oc1ccccc1C(CC(=O)NCc2ccccc2)NCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K13 compound treatment -0.014 -0.025626 -0.1336 0.223 0.20273 1.1266 -0.007 -0.02938 -0.1661 0.4774 0.4164 1622555 TimTec1_007273 COC(C(=O)NCc1ccc(C)cc1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K14 compound treatment 0.095 0.083374 0.4346 0.171 0.15073 0.8376 0.294 0.27162 1.5361 1.6214 0.8994 1244048 TimTec1_007274 OC(=O)C1(CCC(C1)Nc2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K15 compound treatment 0.047 0.035374 0.1844 0.012 -0.00827 -0.046 0.075 0.05262 0.2976 0.2517 0.713 1530042 TimTec1_007275 O=C(CCC1CCCC1)N2CCN(CC2)C(=O)COc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K16 compound treatment 0.0 -0.011626 -0.0606 0.211 0.19073 1.0599 0.101 0.07862 0.4446 0.8337 0.7243 1301695 TimTec1_007276 O=C(NCc1ccccc1)c2ccc(CN(c3ccccc3)S(=O)(=O)c4ccccc4)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K17 compound treatment 0.045 0.033374 0.174 0.071 0.05073 0.2819 0.023 6.2023E-4 0.0035 0.2652 0.8006 3087135 TimTec1_007277 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N3CCSCC3)c4ccco4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K18 compound treatment -0.275 -0.28663 -1.494 -0.012 -0.03227 -0.1793 -0.036 -0.05838 -0.3301 -1.1567 -0.7509 1164653 TimTec1_007278 Clc1ccc(NC(=O)CN(Cc2ccco2)C(=O)c3ccccc3)cc1Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K19 compound treatment 0.168 0.15637 0.8151 -0.03 -0.05027 -0.2794 0.401 0.37862 2.1412 1.5455 0.6696 3087136 TimTec1_007279 CC(=O)Nc1nc(C)c(Cc2ccccc2)c(O)n1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K20 compound treatment -0.019 -0.030626 -0.1596 -0.058 -0.07827 -0.435 0.287 0.26462 1.4965 0.5207 0.3324 3212859 TimTec1_007280 COc1cc2CCN(C3CC4(C=CC(=O)C=C4)c(c32)c1OC)C(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K21 compound treatment 0.068 0.056374 0.2938 -0.048 -0.06827 -0.3794 -0.025 -0.04738 -0.2679 -0.2041 -0.3713 1585233 TimTec1_007281 COc1ccc(cc1)C2N(CC=C)C(=O)C(=C2C(=O)c3ccccc3)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K22 compound treatment 0.038 0.026374 0.1375 -0.007 -0.02727 -0.1515 -0.268 -0.29038 -1.6422 -0.9562 -0.5778 3087182 TimTec1_007282 CC(C)CCNCC1OCc2ccccc2CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K23 mock treatment -0.038 -0.049626 -0.2587 0.075 0.05473 0.3041 0.021 -0.0013798 -0.0078 0.0218 0.0545 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 K24 mock treatment 0.089 0.077374 0.4033 0.109 0.08873 0.4931 0.14 0.11762 0.6652 0.9016 0.9789 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L01 compound treatment -0.207 -0.21863 -1.1395 -0.09 -0.11027 -0.6128 -0.17 -0.19238 -1.0879 -1.6398 -0.97 1537215 TimTec1_007283 S=c1n(CN2CCOCC2)nnn1C3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L02 compound treatment -0.126 -0.13763 -0.7173 0.019 -0.00127 -0.0071 0.16 0.13762 0.7783 0.0311 0.0294 1303821 TimTec1_007284 COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(O)c(OC)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L03 compound treatment -0.071 -0.082626 -0.4307 -0.164 -0.18427 -1.024 0.125 0.10262 0.5803 -0.5048 -0.4028 3087183 TimTec1_007285 COc1cccc(OC)c1C(=O)Nc2nnc(CC(C)(C)C)s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L04 compound treatment 0.226 0.21437 1.1174 0.028 0.00773 0.043 0.029 0.0066202 0.0374 0.6915 0.6181 3087184 TimTec1_007286 CCN(CC)Cc1c(CC(C)C)oc(C)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L05 compound treatment -0.036 -0.047626 -0.2482 0.05 0.02973 0.1652 0.137 0.11462 0.6482 0.3263 0.4573 3087185 TimTec1_007287 O=C(N1CCCCC1)c2ccc3snnc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L06 compound treatment -0.26 -0.27163 -1.4158 -0.217 -0.23727 -1.3185 -0.031 -0.05338 -0.3019 -1.7529 -0.8952 1320337 TimTec1_007288 Cc1ccc(NC(=O)CNc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L07 compound treatment 0.126 0.11437 0.5961 -0.126 -0.14627 -0.8128 -0.047 -0.06938 -0.3924 -0.3516 -0.3251 3087186 TimTec1_007289 Cc1cccc2cc(C(N(Cc3ccco3)Cc4ccccc4)c5nnnn5C(C)(C)C)c(=O)[nH]c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L08 compound treatment -0.067 -0.078626 -0.4098 -0.087 -0.10727 -0.5961 0.024 0.0016202 0.0092 -0.5755 -0.7955 1784505 TimTec1_007290 Cc1ccc(cc1)n2nc-3c(CCc4nonc43)[n+]2[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L09 compound treatment 0.018 0.0063745 0.0332 0.156 0.13573 0.7543 -0.146 -0.16838 -0.9522 -0.0951 -0.0783 1715611 TimTec1_007291 CC(C)c1ccc(cc1)N2CC(CC2=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L10 compound treatment -0.018 -0.029626 -0.1544 0.124 0.10373 0.5764 0.137 0.11462 0.6482 0.6179 0.7013 3212860 TimTec1_007292 FC(F)(F)C(=O)N(Cc1ccc2OCOc2c1)C(C(=O)NC3CCCCC3)c4ccccn4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L11 compound treatment 0.096 0.084374 0.4398 0.089 0.06873 0.3819 0.13 0.10762 0.6086 0.8258 0.9803 1196884 TimTec1_007293 CCCn1c(=O)c(c(O)c2ccccc12)c3nc4ccccc4c(=O)[nH]3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L12 compound treatment -0.053 -0.064626 -0.3368 -0.145 -0.16527 -0.9184 0.034 0.01162 0.0657 -0.6868 -0.7005 1066059 TimTec1_007294 CN1C(CC(=O)CC1c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L13 compound treatment -0.033 -0.044626 -0.2326 0.04 0.01973 0.1096 0.071 0.04862 0.275 0.0878 0.2331 1212761 TimTec1_007295 CC1(C)OC(=O)N(c2ccccc2)C31Oc4cc5ccccc5cc4C=C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L14 compound treatment 0.2 0.18837 0.9819 0.02 -2.7002E-4 -0.0015 0.085 0.06262 0.3541 0.7705 0.7382 3087187 TimTec1_007296 CC(C)N(C(C)C)c1nnc(N)s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L15 compound treatment 0.054 0.042374 0.2209 0.139 0.11873 0.6598 0.313 0.29062 1.6435 1.4573 0.8166 3212861 TimTec1_007297 CCN(CC)CCCNc1ncnc2sc3CCC(C)Cc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L16 compound treatment 0.066 0.054374 0.2834 0.257 0.23673 1.3155 0.428 0.40562 2.2939 2.2475 0.8451 1625654 TimTec1_007298 C(CN1C2CCC1C=CC2)N3C4CCC3C=CC4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L17 compound treatment 0.049 0.037374 0.1948 0.042 0.02173 0.1208 0.097 0.07462 0.422 0.4258 0.8867 3212862 TimTec1_007299 FC(F)(F)C(=O)NCc1ccc2OCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L18 compound treatment 0.018 0.0063745 0.0332 -0.029 -0.04927 -0.2738 0.013 -0.0093798 -0.053 -0.1695 -0.6036 3212863 TimTec1_007300 COC(=O)c1cc(no1)c2ccc3OCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L19 compound treatment 0.089 0.077374 0.4033 -0.067 -0.08727 -0.485 0.188 0.16562 0.9366 0.4936 0.4371 1270867 TimTec1_007301 CCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L20 compound treatment 0.133 0.12137 0.6326 0.064 0.04373 0.243 -0.123 -0.14538 -0.8221 0.0309 0.029 3212864 TimTec1_007302 OC(=O)CN1C(=O)CSc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L21 compound treatment -0.006 -0.017626 -0.0919 -0.018 -0.03827 -0.2127 -0.006 -0.02838 -0.1605 -0.2685 -0.9527 1632361 TimTec1_007303 CC(=O)Nc1cccc(c1)C(=O)N2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L22 compound treatment 0.6 0.58837 3.0667 0.669 0.64873 3.6051 0.139 0.11662 0.6595 4.2328 0.8857 3087188 TimTec1_007304 Nc1nc2ccc(CC(=O)O)cc2s1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L23 mock treatment 0.119 0.10737 0.5597 -0.096 -0.11627 -0.6461 0.169 0.14662 0.8292 0.4288 0.3601 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 L24 mock treatment -0.013 -0.024626 -0.1284 0.108 0.08773 0.4875 -0.014 -0.03638 -0.2057 0.0886 0.1627 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M01 compound treatment 0.123 0.11137 0.5805 0.006 -0.01427 -0.0793 0.355 0.33262 1.881 1.3754 0.6981 3211168 TimTec1_007305 Brc1ccc(N/C=C\2/Sc3ccccc3C2=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M02 compound treatment 0.077 0.065374 0.3407 -0.148 -0.16827 -0.9351 0.064 0.04162 0.2354 -0.2073 -0.2027 3087189 TimTec1_007306 Clc1ccc2nc(nc(c3ccccc3)c2c1)n4nc5ccccc5n4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M03 compound treatment 0.044 0.032374 0.1687 -0.123 -0.14327 -0.7962 -0.032 -0.05438 -0.3075 -0.5398 -0.6204 1413726 TimTec1_007307 CC1CCN(CC1)C(=O)C2CCN(CC3CCCCC3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M04 compound treatment 0.031 0.019374 0.101 0.006 -0.01427 -0.0793 0.039 0.01662 0.094 0.0668 0.4197 3087190 TimTec1_007308 O=C(CCC1CCCC1)N2CCN(CC3CCC=CC3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M05 compound treatment -0.069 -0.080626 -0.4202 0.071 0.05073 0.2819 -0.006 -0.02838 -0.1605 -0.1725 -0.325 3211169 TimTec1_007309 Cc1cc2nn(nc2cc1NC(=O)c3cccs3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M06 compound treatment 0.06 0.048374 0.2521 -0.163 -0.18327 -1.0185 0.15 0.12762 0.7217 -0.0258 -0.0202 1787986 TimTec1_007310 CC1(C)CC(CC(C)(C)N1)NC(=O)c2cccc3ccccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M07 compound treatment -0.12 -0.13163 -0.6861 -0.135 -0.15527 -0.8629 0.079 0.05662 0.3202 -0.7094 -0.618 1163680 TimTec1_007311 O=C1C(=C(C#N)c2nc3ccccc3[nH]2)C(=O)c4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M08 compound treatment 0.135 0.12337 0.6431 -0.18 -0.20027 -1.1129 -0.036 -0.05838 -0.3301 -0.4619 -0.3481 1392143 TimTec1_007312 CC(C)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M09 compound treatment -0.103 -0.11463 -0.5975 -0.024 -0.04427 -0.246 0.086 0.06362 0.3598 -0.2793 -0.3776 1649591 TimTec1_007313 COc1ccccc1N2CCN(Cc3ccc(SC)cc3)CC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M10 compound treatment -0.024 -0.035626 -0.1857 0.103 0.08273 0.4597 0.083 0.06062 0.3428 0.3562 0.5908 1308504 TimTec1_007314 CN(C)C(=O)COc1ccc2c(C)cc(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M11 compound treatment 0.045 0.033374 0.174 0.013 -0.00727 -0.0404 0.056 0.03362 0.1901 0.1869 0.7164 1709084 TimTec1_007315 Cc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M12 compound treatment 0.239 0.22737 1.1851 -0.043 -0.06327 -0.3516 0.072 0.04962 0.2806 0.6432 0.5074 3087191 TimTec1_007316 CN(C)CCCNc1ncnc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M13 compound treatment -0.037 -0.048626 -0.2534 0.201 0.18073 1.0043 0.052 0.02962 0.1675 0.5302 0.5053 3211170 TimTec1_007317 CN(Cc1c(C)nn(C)c1C)C(=O)c2cnn3C(CC(Nc23)c4ccccc4)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M14 compound treatment 0.197 0.18537 0.9662 -0.082 -0.10227 -0.5683 0.181 0.15862 0.897 0.7476 0.5207 1229927 TimTec1_007318 O=C(NC1CS(=O)(=O)CC1NCc2ccco2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M15 compound treatment 0.043 0.031374 0.1635 0.031 0.01073 0.0596 0.065 0.04262 0.241 0.268 0.9014 1657371 TimTec1_007319 COc1ccc(CCN(C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M16 compound treatment 0.039 0.027374 0.1427 0.006 -0.01427 -0.0793 0.094 0.07162 0.405 0.2704 0.6193 1600235 TimTec1_007320 COc1ccc(cc1)c2cc(c3ccco3)c(C#N)c(N)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M17 compound treatment 0.057 0.045374 0.2365 -0.052 -0.07227 -0.4016 0.062 0.03962 0.2241 0.034 0.0658 3087192 TimTec1_007321 Cc1sc2ncnc(SCC(=O)c3ccccc3)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M18 compound treatment -0.072 -0.083626 -0.4359 -0.142 -0.16227 -0.9018 0.057 0.03462 0.1958 -0.6592 -0.646 3211171 TimTec1_007322 Oc1ccccc1/C=N/c2ccccc2Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M19 compound treatment -0.058 -0.069626 -0.3629 -0.02 -0.04027 -0.2238 0.161 0.13862 0.7839 0.1139 0.1276 1238816 TimTec1_007323 NC1=C(C(=O)CN1C2CCCCC2)c3nc4ccccc4s3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M20 compound treatment -0.059 -0.070626 -0.3681 -0.055 -0.07527 -0.4183 0.199 0.17662 0.9988 0.1226 0.1072 1918338 TimTec1_007324 CC1(C)CC(=O)C=C(C1)NCCCN2CCOCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M21 compound treatment -0.098 -0.10963 -0.5714 -0.107 -0.12727 -0.7073 -0.152 -0.17438 -0.9861 -1.3076 -0.9748 1143746 TimTec1_007325 CC(=O)Nc1cc(nn1Cc2ccc(Cl)cc2)c3ccc(Br)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M22 compound treatment 0.174 0.16237 0.8463 -0.012 -0.03227 -0.1793 0.176 0.15362 0.8688 0.8867 0.7232 3211172 TimTec1_007326 CC(=C)CC(Nc1ccc(C)cc1)c2ccco2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M23 mock treatment 0.006 -0.0056255 -0.0293 0.045 0.02473 0.1374 -0.056 -0.07838 -0.4433 -0.1935 -0.4161 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 M24 mock treatment 0.035 0.023374 0.1218 0.119 0.09873 0.5487 0.141 0.11862 0.6708 0.7744 0.8849 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N01 compound treatment 0.081 0.069374 0.3616 0.055 0.03473 0.193 0.062 0.03962 0.2241 0.4496 0.9624 1282781 TimTec1_007327 OC(COCc1ccc2OCOc2c1)CN3CCN(CC3)c4ccc(F)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N02 compound treatment 0.037 0.025374 0.1323 0.197 0.17673 0.9821 0.0 -0.02238 -0.1266 0.5703 0.5709 1422214 TimTec1_007328 OCCN1CCN(CC1)C(=O)CSc2nc3ccccc3c(=O)n2c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N03 compound treatment 0.061 0.049374 0.2574 -0.072 -0.09227 -0.5128 -0.007 -0.02938 -0.1661 -0.2434 -0.4075 3211173 TimTec1_007329 CC(C)OC(=O)CCc1nc2ccccc2nc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N04 compound treatment -0.087 -0.098626 -0.5141 -0.121 -0.14127 -0.7851 -0.018 -0.04038 -0.2284 -0.8819 -0.9131 1325424 TimTec1_007330 NS(=O)(=O)c1ccc(cc1)N2CCCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N05 compound treatment 0.148 0.13637 0.7108 -0.012 -0.03227 -0.1793 0.07 0.04762 0.2693 0.4623 0.592 1492718 TimTec1_007331 CCn1c(N)nc2n(C)c(=O)[nH]c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N06 compound treatment 0.156 0.14437 0.7525 -0.02 -0.04027 -0.2238 0.115 0.09262 0.5238 0.6077 0.6439 1327606 TimTec1_007332 Cc1oc(c(CO)c1C(=O)O)C(C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N07 compound treatment -0.066 -0.077626 -0.4046 0.063 0.04273 0.2375 0.07 0.04762 0.2693 0.059 0.109 3211174 TimTec1_007333 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(NC(=O)C(C)C)ccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N08 compound treatment 0.067 0.055374 0.2886 0.012 -0.00827 -0.046 0.291 0.26862 1.5191 1.0172 0.6575 1130123 TimTec1_007334 Cc1ccc2nc(O)c(CCC(=O)O)c(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N09 compound treatment -0.006 -0.017626 -0.0919 0.139 0.11873 0.6598 0.025 0.0026202 0.0148 0.3365 0.5049 1553061 TimTec1_007335 C(N1CCOCC1)c2nc3ccccc3[nH]2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N10 compound treatment -0.019 -0.030626 -0.1596 0.091 0.07073 0.3931 0.062 0.03962 0.2241 0.2641 0.5505 1761372 TimTec1_007336 Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c4ccccc4C)c(=O)[nH]c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N11 compound treatment -0.031 -0.042626 -0.2222 0.296 0.27573 1.5323 0.194 0.17162 0.9705 1.3167 0.7206 1409640 TimTec1_007337 OC(=O)C1(CCC(=O)C1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N12 compound treatment 0.033 0.021374 0.1114 0.033 0.01273 0.0707 0.238 0.21562 1.2194 0.8092 0.6597 3211175 TimTec1_007338 CC1(C)CC(CC(C)(C)N1)NCc2ccncc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N13 compound treatment 0.0 -0.011626 -0.0606 -0.021 -0.04127 -0.2293 0.049 0.02662 0.1505 -0.0805 -0.2865 3211176 TimTec1_007339 COc1cccc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N14 compound treatment -0.139 -0.15063 -0.7851 0.056 0.03573 0.1986 -0.063 -0.08538 -0.4828 -0.6174 -0.6548 3087193 TimTec1_007340 COC(=O)CN1C(=O)COc2ccc(C)cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N15 compound treatment 0.013 0.0013745 0.0072 -0.174 -0.19427 -1.0796 0.121 0.09862 0.5577 -0.2972 -0.2446 1267449 TimTec1_007341 CC(C)Cc1ccc2c(N)c(sc2n1)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N16 compound treatment -0.055 -0.066626 -0.3473 -0.031 -0.05127 -0.2849 -0.025 -0.04738 -0.2679 -0.5197 -0.9936 3211177 TimTec1_007342 Cc1cc(Cl)ccc1OCCCC(=O)Nc2ccccc2C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N17 compound treatment 0.115 0.10337 0.5388 0.231 0.21073 1.1711 0.142 0.11962 0.6765 1.3778 0.9464 1220509 TimTec1_007343 N(c1ccccc1)c2nc(Nc3ccccc3)nc(Oc4ccccc4)n2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N18 compound treatment -0.041 -0.052626 -0.2743 0.0 -0.02027 -0.1126 -0.006 -0.02838 -0.1605 -0.3161 -0.9374 1849790 TimTec1_007344 O=C(COC(=O)c1ccco1)NC2CCCCC2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N19 compound treatment 0.03 0.018374 0.0958 -0.042 -0.06227 -0.346 0.16 0.13762 0.7783 0.3048 0.3557 3087194 TimTec1_007345 O=S1(=O)C=C(N2CCOCC2)c3ccccc31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N20 compound treatment 0.044 0.032374 0.1687 -0.152 -0.17227 -0.9573 -0.221 -0.24338 -1.3764 -1.2499 -0.7418 1673885 TimTec1_007346 COCC(C)NCc1cccc(Br)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N21 compound treatment 0.077 0.065374 0.3407 0.036 0.01573 0.0874 -0.012 -0.03438 -0.1944 0.1349 0.3357 3211178 TimTec1_007347 O=C(CCCc1c[nH]c2ccccc12)N3CCCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N22 compound treatment -0.013 -0.024626 -0.1284 0.019 -0.00127 -0.0071 0.044 0.02162 0.1223 -0.0076 -0.0428 1139076 TimTec1_007348 CC1CC(c2ccccc2)n3ncnc3N1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N23 mock treatment -0.029 -0.040626 -0.2117 -0.05 -0.07027 -0.3905 -0.07 -0.09238 -0.5224 -0.6493 -0.9469 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 N24 mock treatment -0.006 -0.017626 -0.0919 -0.126 -0.14627 -0.8128 0.025 0.0026202 0.0148 -0.5138 -0.628 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O01 compound treatment 0.07 0.058374 0.3043 -0.021 -0.04127 -0.2293 0.095 0.07262 0.4107 0.2804 0.5005 1243484 TimTec1_007349 CC(C)C(=O)NC(c1ccc2cccnc2c1O)c3ccc(Cl)cc3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O02 compound treatment 0.118 0.10637 0.5544 -0.137 -0.15727 -0.874 0.079 0.05662 0.3202 4.0E-4 4.0E-4 1718539 TimTec1_007350 O=C(CC1CCCCC1)Nc2ccc3OCCOc3c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O03 compound treatment 0.013 0.0013745 0.0072 0.049 0.02873 0.1597 -0.021 -0.04338 -0.2453 -0.0453 -0.1548 3211179 TimTec1_007351 COc1ccc(cc1)c2cc(n3ncc(C(=O)NC(C)(C)C)c3n2)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O04 compound treatment -0.027 -0.038626 -0.2013 -0.04 -0.06027 -0.3349 0.342 0.31962 1.8075 0.734 0.3969 1737590 TimTec1_007352 COc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O05 compound treatment 0.025 0.013374 0.0697 0.073 0.05273 0.293 0.123 0.10062 0.569 0.538 0.8356 3087195 TimTec1_007353 CC(NC(=O)C1C2CC(C)(NC1=O)Oc3ccccc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O06 compound treatment 0.115 0.10337 0.5388 0.012 -0.00827 -0.046 0.068 0.04562 0.258 0.4335 0.7235 1548745 TimTec1_007354 CC(OC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O07 compound treatment -0.012 -0.023626 -0.1231 0.0 -0.02027 -0.1126 -0.057 -0.07938 -0.4489 -0.3953 -0.8254 3087196 TimTec1_007355 CC(Sc1nc(C)cc(C)n1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O08 compound treatment -0.099 -0.11063 -0.5766 -0.033 -0.05327 -0.296 -0.122 -0.14438 -0.8165 -0.9752 -0.9355 3211180 TimTec1_007356 Cc1cc(=O)oc2[nH]nc(c3ccccc3)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O09 compound treatment 0.052 0.040374 0.2104 0.013 -0.00727 -0.0404 -0.076 -0.09838 -0.5564 -0.223 -0.3741 1303989 TimTec1_007357 C(OC(CN1CCCC1)CN2CCCC2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O10 compound treatment 0.236 0.22437 1.1695 0.041 0.02073 0.1152 0.115 0.09262 0.5238 1.0441 0.8115 1593421 TimTec1_007358 NC(=O)c1ccc2[nH]c3CCCCc3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O11 compound treatment -0.095 -0.10663 -0.5558 -0.011 -0.03127 -0.1738 -0.025 -0.04738 -0.2679 -0.5759 -0.8985 3211181 TimTec1_007359 Nc1nc(NC(=O)c2ccco2)nn1c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O12 compound treatment -0.025 -0.036626 -0.1909 -0.065 -0.08527 -0.4739 0.026 0.0036202 0.0205 -0.372 -0.7275 1296021 TimTec1_007360 COc1ccc(cc1)C(=O)N2CCN(CC2)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O13 compound treatment -0.086 -0.097626 -0.5088 -0.014 -0.03427 -0.1904 -0.036 -0.05838 -0.3301 -0.5943 -0.9349 1153011 TimTec1_007361 CC1CCN(CC1)C(=O)CCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O14 compound treatment 0.051 0.039374 0.2052 0.07 0.04973 0.2764 0.082 0.05962 0.3372 0.4727 0.981 1079167 TimTec1_007362 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4Cl)C(=O)CC(C)(C)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O15 compound treatment 0.072 0.060374 0.3147 0.08 0.05973 0.3319 0.054 0.03162 0.1788 0.4766 0.9704 1388332 TimTec1_007363 CNC(=O)c1c(O)c2ccccc2[nH]c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O16 compound treatment 0.079 0.067374 0.3512 -0.137 -0.15727 -0.874 -0.112 -0.13438 -0.7599 -0.7406 -0.6119 3211244 TimTec1_007364 O/N=C/c1c(OCc2ccccc2)ccc3ccccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O17 compound treatment 0.057 0.045374 0.2365 -0.089 -0.10927 -0.6072 0.007 -0.01538 -0.087 -0.2643 -0.4019 1449392 TimTec1_007365 CCN(CC)c1ccc(CC(=O)NC(C)Cc2ccccc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O18 compound treatment 0.061 0.049374 0.2574 0.043 0.02273 0.1263 -0.067 -0.08938 -0.5055 -0.0703 -0.121 1229289 TimTec1_007366 CCc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O19 compound treatment -0.096 -0.10763 -0.561 0.164 0.14373 0.7987 0.156 0.13362 0.7556 0.5735 0.4646 1499628 TimTec1_007367 OC(CNc1nc2ccccc2s1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O20 compound treatment -0.186 -0.19763 -1.0301 -0.057 -0.07727 -0.4294 0.006 -0.01638 -0.0926 -0.8961 -0.8002 1146614 TimTec1_007368 O=C(CC1CCCCC1)Nc2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O21 compound treatment 0.265 0.25337 1.3206 -0.162 -0.18227 -1.0129 -0.013 -0.03538 -0.2001 0.0622 0.0371 1429365 TimTec1_007369 CCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O22 compound treatment 0.235 0.22337 1.1643 0.053 0.03273 0.1819 0.013 -0.0093798 -0.053 0.7466 0.6329 1134013 TimTec1_007370 CC1(C)CC(=O)C2=C(C1)NC3=C(C2c4cccc(F)c4)C(=O)CC(C)(C)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O23 mock treatment 0.077 0.065374 0.3407 -0.031 -0.05127 -0.2849 0.048 0.02562 0.1449 0.1159 0.248 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 O24 mock treatment -0.036 -0.047626 -0.2482 0.11 0.08973 0.4986 0.153 0.13062 0.7387 0.5711 0.6172 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P01 compound treatment 0.201 0.18937 0.9871 0.14 0.11973 0.6654 0.278 0.25562 1.4456 1.7886 0.9552 1386295 TimTec1_007371 CC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P02 compound treatment 0.325 0.31337 1.6334 -0.018 -0.03827 -0.2127 0.02 -0.0023798 -0.0135 0.8125 0.4932 3087246 TimTec1_007372 O=C(CSc1ncnc2sc3CCCCc3c12)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P03 compound treatment -0.046 -0.057626 -0.3004 -0.112 -0.13227 -0.735 -0.019 -0.04138 -0.234 -0.7329 -0.8853 3087247 TimTec1_007373 Oc1cc(nn1c2nc3ccccc3s2)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P04 compound treatment -0.102 -0.11363 -0.5922 0.088 0.06773 0.3764 -0.018 -0.04038 -0.2284 -0.2565 -0.3475 1158378 TimTec1_007374 O=C(C(c1ccccc1)c2ccccc2)N3CCc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P05 compound treatment -0.105 -0.11663 -0.6079 0.087 0.06673 0.3708 0.029 0.0066202 0.0374 -0.1152 -0.1616 1653550 TimTec1_007375 O=C(Cc1cccs1)Nc2nc3ccccc3s2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P06 compound treatment 0.094 0.082374 0.4294 0.012 -0.00827 -0.046 -0.028 -0.05038 -0.2849 0.0569 0.1099 3211245 TimTec1_007376 CCOC(=O)COc1nc(cc(n1)C(F)(F)F)c2cccs2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P07 compound treatment 0.0 -0.011626 -0.0606 0.175 0.15473 0.8599 0.212 0.18962 1.0723 1.0806 0.7854 1544065 TimTec1_007377 COc1cc2CN(C)CC3(CCC(O)CC3)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P08 compound treatment 0.064 0.052374 0.273 -0.082 -0.10227 -0.5683 -0.033 -0.05538 -0.3132 -0.3513 -0.4991 3211246 TimTec1_007378 Cc1nc(N)nc(C)c1Cc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P09 compound treatment -0.11 -0.12163 -0.6339 0.217 0.19673 1.0933 0.031 0.0086202 0.0487 0.2933 0.2319 3087248 TimTec1_007379 COC(=O)Cn1nc(c2CCCCc21)C(F)(F)F 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P10 compound treatment -0.046 -0.057626 -0.3004 0.234 0.21373 1.1877 0.064 0.04162 0.2354 0.6482 0.5196 3211247 TimTec1_007380 COC(=O)c1ccc(CN2CCN(Cc3ccc(o3)C(=O)OC)CC2)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P11 compound treatment -0.219 -0.23063 -1.2021 -0.089 -0.10927 -0.6072 0.083 0.06062 0.3428 -0.8467 -0.6093 1443632 TimTec1_007381 Fc1ccc(OCC(=O)Nc2ccc(cc2)n3cnnn3)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P12 compound treatment -0.024 -0.035626 -0.1857 -0.092 -0.11227 -0.6239 0.132 0.10962 0.6199 -0.1095 -0.1218 1599989 TimTec1_007382 COc1cc(cc(OC)c1OC)c2cc(C#N)on2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P13 compound treatment -0.176 -0.18763 -0.9779 0.118 0.09773 0.5431 -0.089 -0.11138 -0.6299 -0.6147 -0.4788 1535300 TimTec1_007383 CC1(O)N(CCc2cccc3ccccc23)C(=O)c4ccccc41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P14 compound treatment 0.135 0.12337 0.6431 -0.064 -0.08427 -0.4683 -0.039 -0.06138 -0.3471 -0.0995 -0.1147 1782858 TimTec1_007384 CCC(C)(Nc1n[nH]c(=O)[nH]c1=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P15 compound treatment -0.013 -0.024626 -0.1284 -0.06 -0.08027 -0.4461 -0.041 -0.06338 -0.3584 -0.5386 -0.9184 1583688 TimTec1_007385 OC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P16 compound treatment 0.121 0.10937 0.5701 -0.029 -0.04927 -0.2738 0.089 0.06662 0.3767 0.3886 0.5279 1183239 TimTec1_007386 CC(C)c1nc2ccccc2n1CC(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P17 compound treatment 0.023 0.011374 0.0593 0.124 0.10373 0.5764 0.065 0.04262 0.241 0.5062 0.8065 3211371 TimTec1_007387 O=C(CC1CC2CCC1C2)N(C(C(=O)NC3CCCCC3)c4cccs4)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P18 compound treatment 0.035 0.023374 0.1218 0.142 0.12173 0.6765 0.354 0.33162 1.8754 1.5436 0.7728 1248349 TimTec1_007388 OC(=O)C1CCCN1C(=O)c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P19 compound treatment -0.017 -0.028626 -0.1492 -0.256 -0.27627 -1.5353 -0.037 -0.05938 -0.3358 -1.1664 -0.7389 1705108 TimTec1_007389 CC(C)Oc1ccc(cc1)C(CC(=O)N)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P20 compound treatment -0.121 -0.13263 -0.6913 -0.028 -0.04827 -0.2682 0.073 0.05062 0.2863 -0.3887 -0.489 1182227 TimTec1_007390 Clc1cccc(NCCC(=O)c2ccco2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P21 compound treatment -0.017 -0.028626 -0.1492 -0.006 -0.02627 -0.146 -0.049 -0.07138 -0.4037 -0.4035 -0.8879 3211372 TimTec1_007391 CC1=CCC(C(C1)C(=O)NC2CCCCC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P22 compound treatment 0.306 0.29437 1.5343 0.135 0.11473 0.6376 0.181 0.15862 0.897 1.7719 0.9384 1251182 TimTec1_007392 COCC(C)NCc1cccc(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P23 mock treatment 0.039 0.027374 0.1427 -0.031 -0.05127 -0.2849 -0.007 -0.02938 -0.1661 -0.178 -0.4954 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2083 P24 mock treatment -0.067 -0.078626 -0.4098 0.104 0.08373 0.4653 -0.057 -0.07938 -0.4489 -0.2271 -0.2967 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A01 compound treatment 0.015 0.0033745 0.0176 0.125 0.10473 0.582 -0.119 -0.14138 -0.7995 -0.1154 -0.1167 1001670 ACon1_000001 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A02 compound treatment 0.04 0.028374 0.1479 0.125 0.10473 0.582 0.046 0.02362 0.1336 0.4985 0.8104 1023904 ACon1_000002 Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A03 compound treatment 0.105 0.093374 0.4867 0.126 0.10573 0.5876 0.09 0.06762 0.3824 0.841 0.9854 3552049 ACon1_000003 C/C=C(\COC(=O)C)/C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)C3C(=C(C)[C@H]1O)C(=O)[C@H]4O[C@]43C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A04 compound treatment 0.099 0.087374 0.4554 -0.078 -0.09827 -0.5461 -0.152 -0.17438 -0.9861 -0.6217 -0.5114 1039 ACon1_000004 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A05 compound treatment 0.025 0.013374 0.0697 -0.083 -0.10327 -0.5739 -0.297 -0.31938 -1.8062 -1.3339 -0.7034 3559511 ACon1_000005 COC(=O)CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CCC12)C=C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A06 compound treatment -0.042 -0.053626 -0.2795 -0.176 -0.19627 -1.0907 0.242 0.21962 1.242 -0.074 -0.0442 3551992 ACon1_000006 C/C/1=C\CCC2=CC(C\C(=C\C3OC(=O)C(=C)C3CC1)\C)OC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A07 compound treatment 0.051 0.039374 0.2052 -0.032 -0.05227 -0.2905 0.103 0.08062 0.4559 0.214 0.3701 3189572 ACon1_000007 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A08 compound treatment 0.069 0.057374 0.299 0.503 0.48273 2.6826 0.006 -0.01638 -0.0926 1.668 0.6176 1116885 ACon1_000008 CCC(C)C1NC(=O)C(=C1O)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A09 compound treatment -0.069 -0.080626 -0.4202 -0.183 -0.20327 -1.1296 -0.123 -0.14538 -0.8221 -1.3695 -0.9387 3559537 ACon1_000009 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]3(C)[C@@H](O)[C@@H](O)CC13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A10 compound treatment -0.012 -0.023626 -0.1231 0.018 -0.00227 -0.0126 -0.098 -0.12038 -0.6808 -0.4714 -0.6813 3559847 ACon1_000010 OC[C@H]1O[C@@H](OCCC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A11 compound treatment 0.129 0.11737 0.6118 0.103 0.08273 0.4597 0.07 0.04762 0.2693 0.7741 0.9542 3559600 ACon1_000011 COc1ccc2oc(c(O)c(=O)c2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A12 compound treatment 0.042 0.030374 0.1583 0.133 0.11273 0.6265 0.224 0.20162 1.1402 1.1114 0.848 3557478 ACon1_000012 CC(=CCc1c(O)ccc2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A13 mock treatment -0.052 -0.063626 -0.3316 0.156 0.13573 0.7543 -0.031 -0.05338 -0.3019 0.0697 0.0795 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A14 mock treatment 0.172 0.16037 0.8359 0.122 0.10173 0.5653 0.193 0.17062 0.9649 1.3661 0.9784 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A15 compound treatment -0.054 -0.065626 -0.3421 -0.069 -0.08927 -0.4961 0.054 0.03162 0.1788 -0.3807 -0.6056 1138815 ACon1_000013 COc1cccc2OC(CC(=O)c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A16 compound treatment -0.033 -0.044626 -0.2326 0.0 -0.02027 -0.1126 0.034 0.01162 0.0657 -0.1614 -0.6052 3553257 ACon1_000014 CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(=O)C)NC(=O)C(CCCN(O)C(=O)C)NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A17 compound treatment -0.153 -0.16463 -0.8581 0.169 0.14873 0.8265 0.097 0.07462 0.422 0.2254 0.1784 1527185 ACon1_000015 COc1ccccc1c2cc(=O)c3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A18 compound treatment 0.024 0.012374 0.0645 -0.18 -0.20027 -1.1129 0.417 0.39462 2.2317 0.6831 0.2738 3558773 ACon1_000016 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A19 compound treatment 0.056 0.044374 0.2313 0.045 0.02473 0.1374 0.151 0.12862 0.7274 0.6328 0.816 3559667 ACon1_000017 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@H]31)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A20 compound treatment 0.118 0.10637 0.5544 0.126 0.10573 0.5876 0.012 -0.01038 -0.0587 0.6254 0.7722 3558449 ACon1_000018 C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A21 compound treatment -0.057 -0.068626 -0.3577 0.06 0.03973 0.2208 -0.059 -0.08138 -0.4602 -0.3447 -0.5531 1530 ACon1_000019 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A22 compound treatment 0.037 0.025374 0.1323 -0.006 -0.02627 -0.146 -0.018 -0.04038 -0.2284 -0.1398 -0.4635 3559224 ACon1_000020 CC(=O)c1ccc2OC(Cc2c1)C(=C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A23 compound treatment -0.046 -0.057626 -0.3004 0.09 0.06973 0.3875 -0.069 -0.09138 -0.5168 -0.248 -0.3482 3554786 ACon1_000021 COc1cc(/C=C/2\Oc3cc(O)ccc3C2=O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 A24 compound treatment 0.036 0.024374 0.127 0.09 0.06973 0.3875 -0.021 -0.04338 -0.2453 0.1554 0.3266 3559348 ACon1_000022 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2COC(=O)C3(O)C=CCCC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B01 compound treatment -0.035 -0.046626 -0.243 -0.131 -0.15127 -0.8406 0.161 0.13862 0.7839 -0.1731 -0.1473 3557968 ACon1_000023 CC(=CCc1c(O)c(CC=C(C)C)c2occ(c3ccc(O)cc3)c(=O)c2c1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B02 compound treatment 0.007 -0.0046255 -0.0241 0.122 0.10173 0.5653 0.129 0.10662 0.603 0.6606 0.7989 3555955 ACon1_000024 OCC(=C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC2=C)OC(=O)C(=C)CO)C1=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B03 compound treatment 0.113 0.10137 0.5284 -0.134 -0.15427 -0.8573 0.0 -0.02238 -0.1266 -0.263 -0.2591 3552206 ACon1_000025 C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B04 compound treatment 0.133 0.12137 0.6326 0.086 0.06573 0.3653 0.013 -0.0093798 -0.053 0.5455 0.7448 3554785 ACon1_000026 COc1c2occ(COC(=O)C)c2c(C=O)c3c(C)cccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B05 compound treatment -0.13 -0.14163 -0.7382 -0.112 -0.13227 -0.735 -0.103 -0.12538 -0.709 -1.2599 -0.9998 3557493 ACon1_000027 CC1(C)CCCC2(C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B06 compound treatment 0.018 0.0063745 0.0332 -0.019 -0.03927 -0.2182 0.179 0.15662 0.8857 0.4046 0.4432 3614336 ACon1_000028 CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O)O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B07 compound treatment 0.025 0.013374 0.0697 -0.006 -0.02627 -0.146 0.053 0.03062 0.1732 0.0559 0.236 3557846 ACon1_000029 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B08 compound treatment 0.131 0.11937 0.6222 0.0 -0.02027 -0.1126 0.088 0.06562 0.3711 0.5084 0.6935 3557557 ACon1_000030 C/C(=C/CC\C(=C\CC\C(=C\CC/C(=C\CO)/CO)\C)\C)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B09 compound treatment 0.025 0.013374 0.0697 0.083 0.06273 0.3486 -0.071 -0.09338 -0.5281 -0.0634 -0.0996 3554854 ACon1_000031 COc1cc(C)cc(C(=O)O)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B10 compound treatment -0.032 -0.043626 -0.2274 0.018 -0.00227 -0.0126 0.083 0.06062 0.3428 0.0594 0.1442 3553850 ACon1_000032 CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B11 compound treatment 0.11 0.098374 0.5128 -0.089 -0.10927 -0.6072 -0.013 -0.03538 -0.2001 -0.1701 -0.2075 2060482 ACon1_000033 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B12 compound treatment 0.012 3.7448E-4 0.002 -0.075 -0.09527 -0.5294 -0.126 -0.14838 -0.8391 -0.789 -0.7952 3559288 ACon1_000034 CC1OC(OC2C(O)C(O[C@H]3[C@H](C)O[C@@H](OC4C(O)C(O)COC4OC(=O)[C@@]56CCC(C)(C)CC6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC5)[C@H](O)[C@@H]3O)OCC2O[C@H]%11OC[C@](O)(CO)[C@H]%11O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B13 mock treatment 0.071 0.059374 0.3095 -0.027 -0.04727 -0.2627 -0.026 -0.04838 -0.2736 -0.1309 -0.2675 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B14 mock treatment -0.05 -0.061626 -0.3212 -0.028 -0.04827 -0.2682 0.185 0.16262 0.9196 0.1906 0.1887 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B15 compound treatment -0.063 -0.074626 -0.389 -0.039 -0.05927 -0.3294 0.37 0.34762 1.9659 0.7203 0.3547 3559345 ACon1_000035 CC(=CCc1cc(cc(O)c1O)c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B16 compound treatment -0.152 -0.16363 -0.8529 0.0 -0.02027 -0.1126 -0.006 -0.02838 -0.1605 -0.6501 -0.7429 3554649 ACon1_000036 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(CO)CN4CCCC4C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B17 compound treatment -0.261 -0.27263 -1.421 -0.186 -0.20627 -1.1463 -0.24 -0.26238 -1.4838 -2.3389 -0.9942 3559460 ACon1_000037 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B18 compound treatment 0.082 0.070374 0.3668 -0.019 -0.03927 -0.2182 0.163 0.14062 0.7952 0.5449 0.6038 3557695 ACon1_000038 COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B19 compound treatment 0.098 0.086374 0.4502 -0.095 -0.11527 -0.6406 0.072 0.04962 0.2806 0.0521 0.0626 3558409 ACon1_000039 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B20 compound treatment 0.117 0.10537 0.5492 0.024 0.00373 0.0207 0.054 0.03162 0.1788 0.4323 0.748 3557530 ACon1_000040 COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B21 compound treatment 0.321 0.30937 1.6125 -0.006 -0.02627 -0.146 -0.064 -0.08638 -0.4885 0.5647 0.3339 3559391 ACon1_000041 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C(CO)Cc4cc(OC)c(O)c(O)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B22 compound treatment -0.112 -0.12363 -0.6444 -0.028 -0.04827 -0.2682 0.045 0.02262 0.1279 -0.453 -0.6384 3557713 ACon1_000042 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4(O)CC(OC(=O)C)C3=C2)C6=CC(=O)OC6)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B23 compound treatment -0.065 -0.076626 -0.3994 0.033 0.01273 0.0707 -0.069 -0.09138 -0.5168 -0.4881 -0.743 3559546 ACon1_000043 CC12CCC=C(CO)C2CC3C(C1)OC(=O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 B24 compound treatment -0.03 -0.041626 -0.217 -0.054 -0.07427 -0.4127 0.027 0.0046202 0.0261 -0.3485 -0.7462 3557636 ACon1_000044 OC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C01 compound treatment 0.104 0.092374 0.4815 -0.074 -0.09427 -0.5239 0.067 0.04462 0.2523 0.1212 0.1606 3558824 ACon1_000045 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C02 compound treatment -0.038 -0.049626 -0.2587 -0.092 -0.11227 -0.6239 0.222 0.19962 1.1289 0.1422 0.1081 3559748 ACon1_000046 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C03 compound treatment -0.072 -0.083626 -0.4359 -0.049 -0.06927 -0.3849 0.035 0.01262 0.0714 -0.4327 -0.7385 831758 ACon1_000047 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C04 compound treatment -0.174 -0.18563 -0.9675 -0.093 -0.11327 -0.6295 0.078 0.05562 0.3145 -0.7404 -0.6189 1054577 ACon1_000048 COc1cc(cc(OC)c1OC)c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C05 compound treatment 0.099 0.087374 0.4554 -0.118 -0.13827 -0.7684 -0.007 -0.02938 -0.1661 -0.2766 -0.3045 3558524 ACon1_000049 COc1c(O)c2c(=O)c(O)c(oc2c(OC)c1OC)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C06 compound treatment -0.099 -0.11063 -0.5766 -0.043 -0.06327 -0.3516 0.335 0.31262 1.7679 0.4848 0.2562 3559371 ACon1_000050 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C07 compound treatment 0.032 0.020374 0.1062 0.066 0.04573 0.2541 0.077 0.05462 0.3089 0.3864 0.9336 3559455 ACon1_000051 COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C08 compound treatment 0.006 -0.0056255 -0.0293 -0.081 -0.10127 -0.5628 -0.038 -0.06038 -0.3415 -0.539 -0.818 3559354 ACon1_000052 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C09 compound treatment -0.094 -0.10563 -0.5505 -0.183 -0.20327 -1.1296 -0.099 -0.12138 -0.6864 -1.3663 -0.9542 3553479 ACon1_000053 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C10 compound treatment 0.048 0.036374 0.1896 0.037 0.01673 0.093 0.02 -0.0023798 -0.0135 0.1554 0.7343 3553171 ACon1_000054 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C11 mock treatment -0.074 -0.085626 -0.4463 -0.054 -0.07427 -0.4127 -0.077 -0.09938 -0.562 -0.8204 -0.991 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C12 mock treatment 0.191 0.17937 0.9349 -0.215 -0.23527 -1.3074 -0.111 -0.13338 -0.7543 -0.6505 -0.3664 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C13 compound treatment 0.048 0.036374 0.1896 0.073 0.05273 0.293 0.113 0.09062 0.5125 0.5745 0.9266 1016235 ACon1_000055 O=c1cc(oc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C14 compound treatment 0.164 0.15237 0.7942 -0.025 -0.04527 -0.2516 -0.027 -0.04938 -0.2793 0.1521 0.1731 3553953 ACon1_000056 CC12CC3(CC2C1CC34)CC(O)C5C(CO)(CO)CC(=O)CC45C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C15 mock treatment 0.03 0.018374 0.0958 -0.03 -0.05027 -0.2794 -0.007 -0.02938 -0.1661 -0.2019 -0.5959 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C16 mock treatment -0.025 -0.036626 -0.1909 0.043 0.02273 0.1263 0.121 0.09862 0.5577 0.2847 0.4723 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C17 compound treatment 2.078 2.0664 7.1373 0.006 -0.01427 -0.0793 0.248 0.22562 1.2759 4.8116 0.6636 1134 ACon1_000057 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C18 compound treatment 0.013 0.0013745 0.0072 0.161 0.14073 0.7821 0.164 0.14162 0.8009 0.9181 0.8201 3557809 ACon1_000058 COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C19 compound treatment -0.043 -0.054626 -0.2847 -0.131 -0.15127 -0.8406 -0.045 -0.06738 -0.381 -0.8697 -0.9004 3559685 ACon1_000059 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C20 compound treatment 0.056 0.044374 0.2313 -0.06 -0.08027 -0.4461 0.103 0.08062 0.4559 0.1392 0.2052 3559829 ACon1_000060 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C21 compound treatment -0.027 -0.038626 -0.2013 -0.112 -0.13227 -0.735 -0.042 -0.06438 -0.3641 -0.7508 -0.8889 297849 ACon1_000061 COc1ccc2c(c1)[nH]c3c(C)nccc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C22 compound treatment 0.018 0.0063745 0.0332 0.117 0.09673 0.5375 0.181 0.15862 0.897 0.8474 0.8099 3559835 ACon1_000062 COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C23 compound treatment -0.175 -0.18663 -0.9727 -0.169 -0.18927 -1.0518 -0.152 -0.17438 -0.9861 -1.7382 -0.9994 3559675 ACon1_000063 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 C24 compound treatment -0.185 -0.19663 -1.0249 0.03 0.00973 0.0541 0.092 0.06962 0.3937 -0.3332 -0.3031 3557563 ACon1_000064 CC(=CC(O)C/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D01 compound treatment -0.037 -0.048626 -0.2534 -0.093 -0.11327 -0.6295 -0.022 -0.04438 -0.251 -0.6546 -0.9048 4614 ACon1_000065 CCCCCCC/C=C\[C@H](O)C#CC#C[C@@H](O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D02 compound treatment 0.0 -0.011626 -0.0606 -0.007 -0.02727 -0.1515 -0.019 -0.04138 -0.234 -0.2576 -0.9028 3559481 ACon1_000066 C/C/1=C\[C@H]2OC(=O)C(=C)C2[C@@H](C\C(=C\CC1)\C)OC(=O)\C(=C\CO)\CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D03 compound treatment 0.143 0.13137 0.6848 0.125 0.10473 0.582 0.284 0.26162 1.4795 1.5856 0.9159 3558310 ACon1_000067 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D04 compound treatment 0.117 0.10537 0.5492 -0.085 -0.10527 -0.585 -0.102 -0.12438 -0.7034 -0.4268 -0.3999 3559638 ACon1_000068 CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D05 compound treatment -0.064 -0.075626 -0.3942 0.333 0.31273 1.7379 0.233 0.21062 1.1911 1.4635 0.6828 3555862 ACon1_000069 OC(=O)CCCCCCC/C=C/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D06 compound treatment -0.011 -0.022626 -0.1179 -0.057 -0.07727 -0.4294 0.282 0.25962 1.4682 0.5317 0.3465 3559157 ACon1_000070 COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D07 compound treatment -0.071 -0.082626 -0.4307 -0.177 -0.19727 -1.0963 0.068 0.04562 0.258 -0.7326 -0.6076 3557565 ACon1_000071 CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D08 compound treatment 0.072 0.060374 0.3147 -0.014 -0.03427 -0.1904 0.135 0.11262 0.6369 0.4394 0.5975 3554888 ACon1_000072 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6OCC(O)(CO)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D09 compound treatment 0.024 0.012374 0.0645 -0.006 -0.02627 -0.146 -0.05 -0.07238 -0.4093 -0.2834 -0.645 3558155 ACon1_000073 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D10 compound treatment -0.183 -0.19463 -1.0144 0.103 0.08273 0.4597 0.154 0.13162 0.7443 0.1095 0.0817 3614338 ACon1_000074 CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)N2CCCC2C(=O)Nc3c(O)cccc3C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D11 mock treatment -0.013 -0.024626 -0.1284 0.038 0.01773 0.0985 0.076 0.05362 0.3032 0.1579 0.4593 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D12 mock treatment 0.161 0.14937 0.7786 -0.079 -0.09927 -0.5517 0.0 -0.02238 -0.1266 0.0579 0.0602 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D13 compound treatment 0.072 0.060374 0.3147 -0.106 -0.12627 -0.7017 -0.149 -0.17138 -0.9692 -0.783 -0.6329 1251 ACon1_000075 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D14 compound treatment 0.019 0.0073745 0.0384 -0.072 -0.09227 -0.5128 0.013 -0.0093798 -0.053 -0.3045 -0.589 3554269 ACon1_000076 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D15 mock treatment 0.006 -0.0056255 -0.0293 0.207 0.18673 1.0377 0.085 0.06262 0.3541 0.7866 0.7172 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D16 mock treatment 0.122 0.11037 0.5753 0.081 0.06073 0.3375 0.006 -0.01638 -0.0926 0.4735 0.7032 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D17 compound treatment 0.003 -0.0086255 -0.045 0.21 0.18973 1.0544 0.167 0.14462 0.8179 1.055 0.7902 3559890 ACon1_000077 COc1c(O)cc2occ(c3ccccc3O)c(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D18 compound treatment -0.041 -0.052626 -0.2743 0.036 0.01573 0.0874 0.27 0.24762 1.4003 0.7006 0.4901 3557697 ACon1_000078 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D19 compound treatment -0.062 -0.073626 -0.3838 -0.129 -0.14927 -0.8295 0.209 0.18662 1.0554 -0.0912 -0.0653 3557614 ACon1_000079 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D20 compound treatment -0.083 -0.094626 -0.4932 -0.213 -0.23327 -1.2963 0.315 0.29262 1.6548 -0.0778 -0.036 3554651 ACon1_000080 COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D21 compound treatment -0.059 -0.070626 -0.3681 0.076 0.05573 0.3097 0.048 0.02562 0.1449 0.0499 0.0994 3558580 ACon1_000081 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D22 compound treatment 0.121 0.10937 0.5701 0.229 0.20873 1.1599 0.44 0.41762 2.3617 2.3624 0.8775 3557892 ACon1_000082 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](OC(=O)C)[C@](O)(COC(=O)C)[C@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D23 compound treatment 0.05 0.038374 0.2 -0.044 -0.06427 -0.3572 -0.086 -0.10838 -0.6129 -0.4446 -0.6032 3559584 ACon1_000083 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(CC3=CC[C@H]12)C(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 D24 compound treatment 0.174 0.16237 0.8463 -0.072 -0.09227 -0.5128 -0.095 -0.11738 -0.6638 -0.1907 -0.16 3554996 ACon1_000084 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]6(C)CCC34)C6=O)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E01 mock treatment 0.015 0.0033745 0.0176 0.131 0.11073 0.6153 -0.084 -0.10638 -0.6016 0.0181 0.021 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E02 mock treatment 0.028 0.016374 0.0853 0.021 7.2998E-4 0.0041 -0.014 -0.03638 -0.2057 -0.0672 -0.3015 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E03 compound treatment -0.007 -0.018626 -0.0971 -0.179 -0.19927 -1.1074 0.081 0.05862 0.3315 -0.504 -0.4345 451 ACon1_000085 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E04 compound treatment -0.09 -0.10163 -0.5297 -0.092 -0.11227 -0.6239 0.073 0.05062 0.2863 -0.5008 -0.5775 687 ACon1_000086 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E05 compound treatment 0.083 0.071374 0.372 0.045 0.02473 0.1374 0.081 0.05862 0.3315 0.4855 0.9393 1225 ACon1_000087 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E06 compound treatment 0.012 3.7448E-4 0.002 -0.206 -0.22627 -1.2574 0.086 0.06362 0.3598 -0.5171 -0.3954 3557593 ACon1_000088 C/C(=C/CO)/CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E07 compound treatment 0.033 0.021374 0.1114 0.095 0.07473 0.4153 0.585 0.56262 3.1817 2.1411 0.6669 3559517 ACon1_000089 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCc3ccoc3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E08 compound treatment 0.114 0.10237 0.5336 0.064 0.04373 0.243 0.269 0.24662 1.3947 1.2536 0.8286 3557755 ACon1_000090 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E09 mock treatment -0.124 -0.13563 -0.7069 0.122 0.10173 0.5653 0.067 0.04462 0.2523 0.0639 0.068 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E10 mock treatment 0.07 0.058374 0.3043 0.019 -0.00127 -0.0071 0.0 -0.02238 -0.1266 0.0985 0.2989 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E11 compound treatment 0.087 0.075374 0.3929 -0.101 -0.12127 -0.6739 -0.205 -0.22738 -1.2859 -0.9047 -0.6015 3559616 ACon1_000091 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E12 compound treatment 0.048 0.036374 0.1896 -0.049 -0.06927 -0.3849 0.036 0.01362 0.077 -0.0683 -0.1567 3557829 ACon1_000092 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E13 compound treatment -0.007 -0.018626 -0.0971 0.014 -0.00627 -0.0348 0.012 -0.01038 -0.0587 -0.1101 -0.9274 1052342 ACon1_000093 Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E14 compound treatment 0.027 0.015374 0.0801 -0.007 -0.02727 -0.1515 0.039 0.01662 0.094 0.013 0.0667 3555904 ACon1_000094 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(O)(Cc4ccc(O)cc4)C(=O)c32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E15 compound treatment -0.014 -0.025626 -0.1336 -0.101 -0.12127 -0.6739 0.119 0.09662 0.5464 -0.1507 -0.1717 3554527 ACon1_000095 COC(=O)[C@@]1(O)C=CC[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E16 compound treatment 0.4 0.38837 2.0243 0.029 0.00873 0.0485 -0.076 -0.09838 -0.5564 0.8755 0.4169 3558041 ACon1_000096 O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E17 mock treatment 0.019 0.0073745 0.0384 -0.011 -0.03127 -0.1738 -0.144 -0.16638 -0.9409 -0.6214 -0.6489 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E18 mock treatment -0.13 -0.14163 -0.7382 -0.309 -0.32927 -1.8298 -0.077 -0.09938 -0.562 -1.8071 -0.8808 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E19 compound treatment 0.127 0.11537 0.6014 0.086 0.06573 0.3653 0.266 0.24362 1.3777 1.3535 0.8749 976 ACon1_000097 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E20 compound treatment 0.25 0.23837 1.2425 0.158 0.13773 0.7654 0.234 0.21162 1.1968 1.8502 0.9804 3554687 ACon1_000098 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E21 compound treatment -0.019 -0.030626 -0.1596 -0.155 -0.17527 -0.974 0.074 0.05162 0.2919 -0.486 -0.4721 3553328 ACon1_000099 CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@]3(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E22 compound treatment 0.007 -0.0046255 -0.0241 0.033 0.01273 0.0707 0.019 -0.0033798 -0.0191 0.0159 0.206 3559845 ACon1_000100 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E23 compound treatment -0.11 -0.12163 -0.6339 0.087 0.06673 0.3708 0.006 -0.01638 -0.0926 -0.2054 -0.2775 1013994 ACon1_000101 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 E24 compound treatment 0.056 0.044374 0.2313 0.0 -0.02027 -0.1126 0.028 0.0056202 0.0318 0.0869 0.335 3554732 ACon1_000102 COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F01 mock treatment -0.049 -0.060626 -0.316 -0.08 -0.10027 -0.5572 -0.076 -0.09838 -0.5564 -0.8254 -0.9728 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F02 mock treatment -0.143 -0.15463 -0.8059 -0.127 -0.14727 -0.8184 0.083 0.06062 0.3428 -0.7399 -0.6173 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F03 compound treatment 0.205 0.19337 1.0079 0.032 0.01173 0.0652 -0.047 -0.06938 -0.3924 0.393 0.3627 3557765 ACon1_000103 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F04 compound treatment 0.069 0.057374 0.299 -0.025 -0.04527 -0.2516 -0.102 -0.12438 -0.7034 -0.3787 -0.4706 3559590 ACon1_000104 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F05 compound treatment -0.26 -0.27163 -1.4158 -0.012 -0.03227 -0.1793 -0.114 -0.13638 -0.7713 -1.3662 -0.8422 3557685 ACon1_000105 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F06 compound treatment 0.147 0.13537 0.7056 -0.064 -0.08427 -0.4683 0.019 -0.0033798 -0.0191 0.126 0.1487 3554203 ACon1_000106 CCc1c(O)cc(OC)c2C(=O)C[C@@H](C)Oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F07 compound treatment -0.045 -0.056626 -0.2951 0.025 0.00473 0.0263 0.077 0.05462 0.3089 0.0231 0.054 3558903 ACon1_000107 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F08 compound treatment 0.043 0.031374 0.1635 -0.006 -0.02627 -0.146 0.127 0.10462 0.5916 0.3517 0.5574 3557773 ACon1_000108 COc1cc(/C=C/CO)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F09 mock treatment 0.026 0.014374 0.0749 0.131 0.11073 0.6153 0.048 0.02562 0.1449 0.4822 0.7574 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F10 mock treatment -0.081 -0.092626 -0.4828 -0.047 -0.06727 -0.3738 -0.091 -0.11338 -0.6412 -0.8648 -0.9767 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F11 compound treatment 0.051 0.039374 0.2052 0.304 0.28373 1.5767 0.131 0.10862 0.6143 1.3835 0.8116 3559308 ACon1_000109 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F12 compound treatment 0.151 0.13937 0.7265 -0.186 -0.20627 -1.1463 -0.083 -0.10538 -0.5959 -0.5865 -0.3957 1216977 ACon1_000110 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F13 compound treatment -0.075 -0.086626 -0.4515 -0.087 -0.10727 -0.5961 -0.07 -0.09238 -0.5224 -0.9065 -0.9937 3559144 ACon1_000111 CC1CCC2(CCC3(C)C(=CCC4C5(C)C[C@@H](O)[C@@H](O)C(C)(CO)C5CCC43C)C2C1(C)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F14 compound treatment 0.007 -0.0046255 -0.0241 0.021 7.2998E-4 0.0041 0.059 0.03662 0.2071 0.108 0.5178 3552034 ACon1_000112 C/C=C(\C)/C(=O)OC(\C=C\C(O)C(C)O)C1OC(=O)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F15 compound treatment 0.058 0.046374 0.2417 -0.187 -0.20727 -1.1518 -0.05 -0.07238 -0.4093 -0.7618 -0.6113 3552812 ACon1_000113 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F16 compound treatment -0.03 -0.041626 -0.217 0.0 -0.02027 -0.1126 -0.007 -0.02938 -0.1661 -0.2862 -0.9684 3557622 ACon1_000114 COc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F17 mock treatment 0.135 0.12337 0.6431 -0.024 -0.04427 -0.246 -0.006 -0.02838 -0.1605 0.1366 0.1932 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F18 mock treatment 0.151 0.13937 0.7265 0.011 -0.00927 -0.0515 -0.093 -0.11538 -0.6525 0.013 0.0133 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F19 compound treatment 0.019 0.0073745 0.0384 -0.121 -0.14127 -0.7851 0.205 0.18262 1.0328 0.1652 0.1273 3552693 ACon1_000115 C[C@@H]1CC[C@@]2(CC[C@]3(C)C4=CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@@]3(C)[C@@H]2[C@H]1C)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F20 compound treatment -0.08 -0.091626 -0.4776 -0.073 -0.09327 -0.5183 0.05 0.02762 0.1562 -0.4848 -0.6716 3554774 ACon1_000116 COc1c(OC/C=C(\C)/CC2OC(=O)C(=C2)C)ccc3ccc(=O)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F21 compound treatment -0.075 -0.086626 -0.4515 0.115 0.09473 0.5264 0.055 0.03262 0.1845 0.1498 0.2087 3559078 ACon1_000117 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F22 compound treatment 0.006 -0.0056255 -0.0293 0.424 0.40373 2.2436 0.248 0.22562 1.2759 2.0151 0.7807 3557936 ACon1_000118 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F23 compound treatment -0.181 -0.19263 -1.004 0.135 0.11473 0.6376 0.042 0.01962 0.111 -0.1475 -0.1235 3553532 ACon1_000119 CC(C)C(=O)OC1c2c(C)coc2C(=O)C3[C@@H](O)CC[C@H](C)[C@@]13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 F24 compound treatment 0.038 0.026374 0.1375 0.157 0.13673 0.7598 -0.093 -0.11538 -0.6525 0.1413 0.1398 3614339 ACon1_000120 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G01 compound treatment 0.234 0.22237 1.1591 0.128 0.10773 0.5987 -0.175 -0.19738 -1.1162 0.3704 0.2157 3559490 ACon1_000121 CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)/CO)C(=CCC12)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G02 compound treatment 0.058 0.046374 0.2417 0.075 0.05473 0.3041 -0.027 -0.04938 -0.2793 0.1539 0.3217 3060043 ACon1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G03 mock treatment -0.062 -0.073626 -0.3838 -0.018 -0.03827 -0.2127 0.0 -0.02238 -0.1266 -0.4174 -0.9141 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G04 mock treatment 0.0 -0.011626 -0.0606 0.074 0.05373 0.2986 -0.103 -0.12538 -0.709 -0.272 -0.3524 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G05 compound treatment 0.198 0.18637 0.9714 -0.147 -0.16727 -0.9295 -0.094 -0.11638 -0.6581 -0.3558 -0.2377 3559421 ACon1_000123 C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc2ccc(O)c(O)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G06 compound treatment -0.015 -0.026626 -0.1388 -0.063 -0.08327 -0.4627 0.168 0.14562 0.8235 0.1282 0.1342 3559357 ACon1_000124 COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G07 compound treatment -0.092 -0.10363 -0.5401 -0.057 -0.07727 -0.4294 0.267 0.24462 1.3834 0.2389 0.1546 3559500 ACon1_000125 C[C@@]1(CCC2C(=C1)CCC3[C@@](C)(CCCC23C)C(=O)O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G08 compound treatment 0.018 0.0063745 0.0332 0.147 0.12673 0.7043 0.204 0.18162 1.0271 1.0188 0.8178 3553967 ACon1_000126 CC1CC(=O)c2c(O)c3c(O)cc(O)c(c4c(O)cc(O)c5c(O)c6C(=O)CC(C)Oc6cc45)c3cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G09 compound treatment -0.025 -0.036626 -0.1909 -0.019 -0.03927 -0.2182 -0.044 -0.06638 -0.3754 -0.4529 -0.9549 3559571 ACon1_000127 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)\COC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G10 compound treatment 0.157 0.14537 0.7577 0.072 0.05173 0.2875 -0.026 -0.04838 -0.2736 0.4455 0.5208 3557671 ACon1_000128 OCCC(=O)c1ccc(O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G11 compound treatment -0.077 -0.088626 -0.4619 -0.18 -0.20027 -1.1129 -0.485 -0.50738 -2.8693 -2.5659 -0.8245 3559625 ACon1_000129 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCc2ccoc2)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G12 compound treatment 0.034 0.022374 0.1166 -0.006 -0.02627 -0.146 -0.093 -0.11538 -0.6525 -0.3937 -0.58 3554892 ACon1_000130 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G13 compound treatment -0.082 -0.093626 -0.488 -0.161 -0.18127 -1.0073 0.0 -0.02238 -0.1266 -0.9364 -0.8313 3552088 ACon1_000131 C/C=C/C=C/C(=O)NCCc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G14 compound treatment -0.133 -0.14463 -0.7538 0.115 0.09473 0.5264 0.061 0.03862 0.2184 -0.0052 -0.0055 3554659 ACon1_000132 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G15 compound treatment 0.017 0.0053745 0.028 -0.006 -0.02627 -0.146 -0.071 -0.09338 -0.5281 -0.373 -0.6799 3559582 ACon1_000133 CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G16 compound treatment -0.063 -0.074626 -0.389 0.077 0.05673 0.3153 0.089 0.06662 0.3767 0.175 0.2792 3552120 ACon1_000134 C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)/C=C/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G17 compound treatment 0.047 0.035374 0.1844 -0.043 -0.06327 -0.3516 0.108 0.08562 0.4842 0.183 0.2923 926 ACon1_000135 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G18 compound treatment -0.021 -0.032626 -0.1701 0.064 0.04373 0.243 0.244 0.22162 1.2533 0.7657 0.5945 3559321 ACon1_000136 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G19 mock treatment 0.043 0.031374 0.1635 1.471 1.4507 6.5853 -0.006 -0.02838 -0.1605 3.8038 0.5773 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G20 mock treatment 0.155 0.14337 0.7473 0.095 0.07473 0.4153 0.043 0.02062 0.1166 0.7385 0.8559 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G21 compound treatment -0.17 -0.18163 -0.9467 0.019 -0.00127 -0.0071 0.065 0.04262 0.241 -0.4115 -0.4212 3559673 ACon1_000137 CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@@H]21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G22 compound treatment 0.11 0.098374 0.5128 0.273 0.25273 1.4045 0.14 0.11762 0.6652 1.4909 0.9111 3557624 ACon1_000138 COc1ccc(/C=C/C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G23 compound treatment -0.166 -0.17763 -0.9258 -0.105 -0.12527 -0.6961 -0.144 -0.16638 -0.9409 -1.4797 -0.9915 895 ACon1_000139 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 G24 compound treatment -0.011 -0.022626 -0.1179 0.267 0.24673 1.3711 0.196 0.17362 0.9819 1.2904 0.7633 3551965 ACon1_000140 C/C(=C\CC[C@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H01 compound treatment 0.007 -0.0046255 -0.0241 -0.067 -0.08727 -0.485 0.138 0.11562 0.6539 0.0836 0.1026 3559838 ACon1_000141 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H02 compound treatment -0.136 -0.14763 -0.7695 -0.006 -0.02627 -0.146 0.073 0.05062 0.2863 -0.3633 -0.4356 3559607 ACon1_000142 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H03 mock treatment 0.012 3.7448E-4 0.002 0.136 0.11573 0.6431 0.067 0.04462 0.2523 0.5181 0.75 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H04 mock treatment -0.04 -0.051626 -0.2691 0.093 0.07273 0.4042 0.111 0.08862 0.5012 0.3673 0.5264 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H05 compound treatment 0.011 -6.2552E-4 -0.0033 -0.023 -0.04327 -0.2405 0.082 0.05962 0.3372 0.054 0.1303 1322 ACon1_000143 COc1cc2ccc(=O)oc2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H06 compound treatment 0.183 0.17137 0.8932 -0.04 -0.06027 -0.3349 0.189 0.16662 0.9423 0.8664 0.6461 3559370 ACon1_000144 COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H07 compound treatment -0.037 -0.048626 -0.2534 0.064 0.04373 0.243 0.359 0.33662 1.9036 1.093 0.5647 3558770 ACon1_000145 Oc1cc(cc(O)c1O)C(=O)OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]2OC(=O)c6cc(O)c(O)c(O)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H08 compound treatment 0.038 0.026374 0.1375 0.152 0.13173 0.732 -0.006 -0.02838 -0.1605 0.4094 0.5373 3557705 ACon1_000146 O=C(/C=C/CCc1ccc2OCOc2c1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H09 compound treatment -0.048 -0.059626 -0.3108 0.025 0.00473 0.0263 0.012 -0.01038 -0.0587 -0.1981 -0.6243 3553890 ACon1_000147 CC1(O)CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H10 compound treatment 0.329 0.31737 1.6542 0.273 0.25273 1.4045 0.487 0.46462 2.6275 3.2829 0.9634 3554182 ACon1_000148 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H11 compound treatment 0.063 0.051374 0.2678 0.13 0.10973 0.6098 0.222 0.19962 1.1289 1.1584 0.8838 3557869 ACon1_000149 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H12 compound treatment -0.065 -0.076626 -0.3994 -0.065 -0.08527 -0.4739 -0.108 -0.13038 -0.7373 -0.9299 -0.9654 3555354 ACon1_000150 COc1oc2cccc(C)c2c(=O)c1C(C)(C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H13 compound treatment -0.073 -0.084626 -0.4411 0.013 -0.00727 -0.0404 0.204 0.18162 1.0271 0.315 0.2816 3553324 ACon1_000151 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)C2(O)C=CCCC2=O)O[C@H]1Oc3ccccc3COC(=O)C4(O)C=CCCC4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H14 compound treatment 0.0 -0.011626 -0.0606 -0.108 -0.12827 -0.7128 0.058 0.03562 0.2014 -0.3302 -0.4443 3557583 ACon1_000152 CC1CCC2=C(CCCC2(C)C(=O)O)C1(C)CCc3ccoc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H15 compound treatment 0.009 -0.0026255 -0.0137 0.037 0.01673 0.093 0.129 0.10662 0.603 0.3939 0.6455 3558739 ACon1_000153 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H16 compound treatment -0.026 -0.037626 -0.1961 0.005 -0.01527 -0.0849 0.081 0.05862 0.3315 0.0292 0.074 3557708 ACon1_000154 C[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H17 compound treatment -0.011 -0.022626 -0.1179 0.058 0.03773 0.2097 0.006 -0.01638 -0.0926 -5.0E-4 -0.002 3557703 ACon1_000155 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H18 compound treatment -0.138 -0.14963 -0.7799 0.006 -0.01427 -0.0793 0.217 0.19462 1.1006 0.1394 0.1032 3557644 ACon1_000156 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H19 mock treatment 0.073 0.061374 0.3199 -0.075 -0.09527 -0.5294 0.209 0.18662 1.0554 0.4883 0.3992 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H20 mock treatment 0.025 0.013374 0.0697 0.019 -0.00127 -0.0071 0.064 0.04162 0.2354 0.1721 0.7006 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H21 compound treatment 0.13 0.11837 0.617 0.129 0.10873 0.6042 0.1 0.07762 0.439 0.9585 0.9894 3559541 ACon1_000157 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]2C(=C)[C@H](O)C[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H22 compound treatment 0.219 0.20737 1.0809 0.131 0.11073 0.6153 0.108 0.08562 0.4842 1.2589 0.9432 3557933 ACon1_000158 C/C=C(/C)\C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H23 compound treatment 0.172 0.16037 0.8359 0.137 0.11673 0.6487 -0.013 -0.03538 -0.2001 0.7416 0.6887 3555130 ACon1_000159 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 H24 compound treatment -0.063 -0.074626 -0.389 -0.025 -0.04527 -0.2516 -0.006 -0.02838 -0.1605 -0.4625 -0.9434 3557750 ACon1_000160 O[C@@H]1C=C(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I01 compound treatment 0.013 0.0013745 0.0072 0.047 0.02673 0.1485 0.032 0.0096202 0.0544 0.1213 0.7661 3559527 ACon1_000161 CC1=CC[C@@H]2[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](CC2=C)OC(=O)/C(=C/CO)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I02 compound treatment 0.11 0.098374 0.5128 0.0 -0.02027 -0.1126 0.116 0.09362 0.5294 0.5367 0.7198 2120761 ACon1_000162 COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I03 compound treatment -0.266 -0.27763 -1.447 0.031 0.01073 0.0596 -0.178 -0.20038 -1.1332 -1.4553 -0.7914 3559509 ACon1_000163 COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I04 compound treatment -0.045 -0.056626 -0.2951 -0.059 -0.07927 -0.4405 0.229 0.20662 1.1685 0.2499 0.1947 3557562 ACon1_000164 C/C(=C\COc1ccc2ccc(=O)oc2c1)/CC3OC(=O)C(=C3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I05 mock treatment -0.182 -0.19363 -1.0092 -0.018 -0.03827 -0.2127 -0.006 -0.02838 -0.1605 -0.7981 -0.7646 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I06 mock treatment -0.019 -0.030626 -0.1596 -0.135 -0.15527 -0.8629 -0.029 -0.05138 -0.2906 -0.7581 -0.8201 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I07 compound treatment 0.083 0.071374 0.372 0.032 0.01173 0.0652 0.172 0.14962 0.8461 0.7409 0.7996 3552640 ACon1_000165 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I08 compound treatment 0.026 0.014374 0.0749 0.088 0.06773 0.3764 0.043 0.02062 0.1166 0.3279 0.8175 3557649 ACon1_000166 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I09 compound treatment -0.024 -0.035626 -0.1857 0.0 -0.02027 -0.1126 -0.097 -0.11938 -0.6751 -0.562 -0.7925 1036721 ACon1_000167 Oc1c(oc2ccccc2c1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I10 compound treatment 0.087 0.075374 0.3929 0.188 0.16773 0.9321 0.186 0.16362 0.9253 1.2992 0.9477 3555603 ACon1_000168 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I11 compound treatment 0.721 0.70937 3.6974 0.658 0.63773 3.544 0.391 0.36862 2.0846 5.3844 0.9737 3553943 ACon1_000169 CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@@H](CC[C@]21C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I12 compound treatment 0.132 0.12037 0.6274 -0.062 -0.08227 -0.4572 0.099 0.07662 0.4333 0.3485 0.3919 3554710 ACon1_000170 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I13 compound treatment -0.083 -0.094626 -0.4932 -0.034 -0.05427 -0.3016 0.02 -0.0023798 -0.0135 -0.4666 -0.807 3559593 ACon1_000171 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I14 compound treatment 0.149 0.13737 0.716 -0.021 -0.04127 -0.2293 0.128 0.10562 0.5973 0.6258 0.6518 3553879 ACon1_000172 CC1(C)O[C@H]2CC(=O)OC[C@]23C4CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]65[C@]4(C)C(=O)C(=C13)O)c7ccoc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I15 compound treatment 0.007 -0.0046255 -0.0241 -0.112 -0.13227 -0.735 -0.014 -0.03638 -0.2057 -0.5571 -0.7295 1032910 ACon1_000173 COc1ccc2OC(CC(=O)c2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I16 compound treatment -0.014 -0.025626 -0.1336 0.161 0.14073 0.7821 0.081 0.05862 0.3315 0.5658 0.658 1362 ACon1_000174 COc1c2occc2cc3ccc(=O)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I17 compound treatment -0.038 -0.049626 -0.2587 -0.018 -0.03827 -0.2127 -0.067 -0.08938 -0.5055 -0.564 -0.9301 1568908 ACon1_000175 COc1cccc2oc(cc(=O)c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I18 compound treatment -0.018 -0.029626 -0.1544 -0.013 -0.03327 -0.1849 0.247 0.22462 1.2703 0.5375 0.4157 1498810 ACon1_000176 CC(=CCOc1c2ccoc2cc3oc(=O)ccc13)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I19 compound treatment -0.025 -0.036626 -0.1909 -0.013 -0.03327 -0.1849 -0.019 -0.04138 -0.234 -0.3521 -0.9943 1913676 ACon1_000177 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I20 compound treatment -0.018 -0.029626 -0.1544 -0.028 -0.04827 -0.2682 0.144 0.12162 0.6878 0.1531 0.203 3559840 ACon1_000178 COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I21 mock treatment -0.036 -0.047626 -0.2482 -0.065 -0.08527 -0.4739 0.026 0.0036202 0.0205 -0.4051 -0.7567 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I22 mock treatment -0.059 -0.070626 -0.3681 0.063 0.04273 0.2375 0.137 0.11462 0.6482 0.2988 0.3819 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I23 compound treatment 0.507 0.49537 2.582 0.428 0.40773 2.2658 0.2 0.17762 1.0045 3.3788 0.9441 1539 ACon1_000179 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 I24 compound treatment 0.281 0.26937 1.404 0.222 0.20173 1.121 0.086 0.06362 0.3598 1.6656 0.909 3559836 ACon1_000180 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J01 compound treatment -0.148 -0.15963 -0.832 -0.025 -0.04527 -0.2516 0.133 0.11062 0.6256 -0.2644 -0.2469 3557805 ACon1_000181 CC1=CC(CC2(C)OC2COc3c4occc4cc5ccc(=O)oc35)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J02 compound treatment -0.12 -0.13163 -0.6861 0.083 0.06273 0.3486 0.072 0.04962 0.2806 -0.0328 -0.0401 3559624 ACon1_000182 COc1ccc(cc1)C2CC(=O)Oc3cc(O)cc(O)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J03 compound treatment 0.031 0.019374 0.101 0.024 0.00373 0.0207 -0.019 -0.04138 -0.234 -0.0648 -0.2535 3559225 ACon1_000183 CC(=O)OCC(=C)[C@@H]1Cc2cc(ccc2O1)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J04 compound treatment -0.006 -0.017626 -0.0919 -0.088 -0.10827 -0.6017 -0.071 -0.09338 -0.5281 -0.7053 -0.8753 2060480 ACon1_000184 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J05 mock treatment 0.08 0.068374 0.3564 -0.103 -0.12327 -0.685 -0.074 -0.09638 -0.545 -0.5044 -0.5337 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J06 mock treatment 0.105 0.093374 0.4867 -0.025 -0.04527 -0.2516 -0.096 -0.11838 -0.6695 -0.2508 -0.2899 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J07 compound treatment 0.013 0.0013745 0.0072 -0.152 -0.17227 -0.9573 0.012 -0.01038 -0.0587 -0.5825 -0.6073 3559346 ACon1_000185 C[C@H]1[C@H]2[C@H](CC3C4C[C@H](OC5OC(C)C(O)C(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5O)C7C[C@@H](O)CC[C@]7(C)C4CC[C@]23C)OC81OCC(C)CC8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J08 compound treatment 0.145 0.13337 0.6952 0.012 -0.00827 -0.046 -0.019 -0.04138 -0.234 0.2397 0.3262 3614341 ACon1_000186 COc1c2C(=O)OCc2c(C)c3OC4(C)CC5(O)OCC6(C)OC7(CCC(C)(C4Cc13)C65O7)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J09 compound treatment 0.11 0.098374 0.5128 0.048 0.02773 0.1541 0.16 0.13762 0.7783 0.8343 0.8832 3554184 ACon1_000187 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J10 compound treatment 0.076 0.064374 0.3355 0.127 0.10673 0.5931 0.112 0.08962 0.5068 0.8288 0.9759 3557772 ACon1_000188 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J11 compound treatment 0.085 0.073374 0.3824 0.081 0.06073 0.3375 0.12 0.09762 0.5521 0.7344 0.9771 3199169 ACon1_000189 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J12 compound treatment 0.185 0.17337 0.9037 0.006 -0.01427 -0.0793 0.14 0.11762 0.6652 0.86 0.7645 3557412 ACon1_000190 Oc1ccc(/C=C\NC=O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J13 compound treatment -0.025 -0.036626 -0.1909 0.045 0.02473 0.1374 -0.064 -0.08638 -0.4885 -0.3129 -0.5771 3552568 ACon1_000191 C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)C3CC[C@]12C)C6CC(=C(CO)C(=O)O6)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J14 compound treatment -0.078 -0.089626 -0.4671 -0.039 -0.05927 -0.3294 0.007 -0.01538 -0.087 -0.5101 -0.8822 3614342 ACon1_000192 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J15 compound treatment 0.031 0.019374 0.101 -0.05 -0.07027 -0.3905 0.103 0.08062 0.4559 0.0961 0.1578 3557791 ACon1_000193 CC(=CCc1c2OC(CC(=O)c2c(O)c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J16 compound treatment 0.173 0.16137 0.8411 0.046 0.02573 0.143 0.025 0.0026202 0.0148 0.5767 0.6759 3557677 ACon1_000194 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J17 compound treatment 0.019 0.0073745 0.0384 -0.087 -0.10727 -0.5961 0.036 0.01362 0.077 -0.2775 -0.4607 3558159 ACon1_000195 COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J18 compound treatment 0.042 0.030374 0.1583 -0.151 -0.17127 -0.9518 0.135 0.11262 0.6369 -0.0904 -0.0782 3557646 ACon1_000196 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J19 compound treatment -0.019 -0.030626 -0.1596 -0.137 -0.15727 -0.874 0.175 0.15262 0.8631 -0.0984 -0.0795 3559382 ACon1_000197 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J20 compound treatment 0.149 0.13737 0.716 0.025 0.00473 0.0263 0.078 0.05562 0.3145 0.6102 0.7798 3557547 ACon1_000198 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(=O)CC2(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J21 mock treatment 0.046 0.034374 0.1792 0.084 0.06373 0.3542 0.035 0.01262 0.0714 0.3491 0.8657 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J22 mock treatment -0.025 -0.036626 -0.1909 0.032 0.01173 0.0652 0.058 0.03562 0.2014 0.0437 0.1534 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J23 compound treatment -0.045 -0.056626 -0.2951 -0.07 -0.09027 -0.5016 -0.054 -0.07638 -0.4319 -0.7094 -0.9788 3559530 ACon1_000199 C[C@H]1C[C@@H]2O[C@@]31CCC(=C3[C@H]4OC(=O)C(=C)[C@@H]24)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 J24 compound treatment -0.067 -0.078626 -0.4098 -0.138 -0.15827 -0.8795 -0.179 -0.20138 -1.1388 -1.4019 -0.937 3557731 ACon1_000200 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occ(c4ccc(O)cc4)c(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K01 compound treatment -0.308 -0.31963 -1.666 -0.202 -0.22227 -1.2352 0.342 0.31962 1.8075 -0.6314 -0.2295 3558170 ACon1_000201 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO)\CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K02 compound treatment 0.031 0.019374 0.101 -0.026 -0.04627 -0.2571 0.068 0.04562 0.258 0.0588 0.1556 1449 ACon1_000202 CN1[C@@H](CCC1=O)c2cccnc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K03 compound treatment -0.064 -0.075626 -0.3942 0.006 -0.01427 -0.0793 0.093 0.07062 0.3994 -0.0428 -0.0755 3553119 ACon1_000203 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K04 compound treatment 0.123 0.11137 0.5805 0.088 0.06773 0.3764 0.049 0.02662 0.1505 0.6394 0.903 3557742 ACon1_000204 CC(=CCc1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K05 compound treatment -0.065 -0.076626 -0.3994 0.042 0.02173 0.1208 0.031 0.0086202 0.0487 -0.1327 -0.3159 3559441 ACon1_000205 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K06 compound treatment -0.312 -0.32363 -1.6868 0.017 -0.00327 -0.0182 0.153 0.13062 0.7387 -0.5579 -0.3029 3557579 ACon1_000206 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K07 mock treatment -0.071 -0.082626 -0.4307 -0.174 -0.19427 -1.0796 -0.034 -0.05638 -0.3188 -1.056 -0.8762 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K08 mock treatment -0.081 -0.092626 -0.4828 -0.135 -0.15527 -0.8629 -0.106 -0.12838 -0.726 -1.1961 -0.9751 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K09 compound treatment 0.019 0.0073745 0.0384 0.084 0.06373 0.3542 0.127 0.10462 0.5916 0.5683 0.8228 1442461 ACon1_000207 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K10 compound treatment 0.144 0.13237 0.69 -0.129 -0.14927 -0.8295 0.047 0.02462 0.1392 -2.0E-4 -2.0E-4 3554705 ACon1_000208 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K11 compound treatment -0.135 -0.14663 -0.7642 0.05 0.02973 0.1652 -0.136 -0.15838 -0.8957 -0.863 -0.7258 3054523 ACon1_000209 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K12 compound treatment 0.772 0.76037 3.9633 1.924 1.9037 7.3614 1.602 1.5796 6.9461 10.5486 0.9705 3559363 ACon1_000210 C/C/1=C\CC\C(=C\CC\C(=C\C2OC(=O)C(=C)C2CC1)\C)\C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K13 compound treatment 0.565 0.55337 2.8843 0.14 0.11973 0.6654 0.091 0.06862 0.3881 2.2735 0.7615 1250866 ACon1_000211 COc1ccc(cc1)C2CC(=O)c3ccccc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K14 compound treatment 0.066 0.054374 0.2834 -0.101 -0.12127 -0.6739 0.095 0.07262 0.4107 0.0116 0.0139 3557490 ACon1_000212 CC12CCCC(CO)(CO)C2C(=O)CC3(CC4CCC31)CC4=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K15 mock treatment 0.04 0.028374 0.1479 0.11 0.08973 0.4986 0.014 -0.0083798 -0.0474 0.3459 0.6623 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K16 mock treatment 0.096 0.084374 0.4398 -0.033 -0.05327 -0.296 -0.061 -0.08338 -0.4715 -0.1892 -0.2667 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K17 compound treatment 0.024 0.012374 0.0645 -0.053 -0.07327 -0.4072 -0.055 -0.07738 -0.4376 -0.4505 -0.7493 3559604 ACon1_000213 Oc1ccc2C(=O)/C(=C/c3ccc(O)c(O)c3)/Oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K18 compound treatment 0.107 0.095374 0.4971 0.049 0.02873 0.1597 0.19 0.16762 0.9479 0.9265 0.8561 3557612 ACon1_000214 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K19 compound treatment 0.065 0.053374 0.2782 -0.059 -0.07927 -0.4405 0.149 0.12662 0.7161 0.3197 0.361 3559756 ACon1_000215 CC(=CCC[C@](C)(O)C1CC[C@]2(C)C1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]32C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K20 compound treatment 0.11 0.098374 0.5128 0.081 0.06073 0.3375 0.261 0.23862 1.3494 1.27 0.8567 3559323 ACon1_000216 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K21 compound treatment 0.206 0.19437 1.0131 0.172 0.15173 0.8432 0.261 0.23862 1.3494 1.8508 0.9812 1026747 ACon1_000217 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K22 compound treatment 0.823 0.81137 4.2291 0.794 0.77373 4.2997 0.92 0.89762 5.0762 7.8549 0.9964 3559843 ACon1_000218 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K23 mock treatment 0.104 0.092374 0.4815 0.017 -0.00327 -0.0182 -0.112 -0.13438 -0.7599 -0.1713 -0.1903 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 K24 mock treatment 0.077 0.065374 0.3407 0.094 0.07373 0.4097 -0.038 -0.06038 -0.3415 0.2361 0.3731 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L01 compound treatment -0.033 -0.044626 -0.2326 0.02 -2.7002E-4 -0.0015 0.09 0.06762 0.3824 0.0856 0.1913 3526 ACon1_000219 Oc1ccc2ccc(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L02 compound treatment 0.101 0.089374 0.4658 0.02 -2.7002E-4 -0.0015 -0.092 -0.11438 -0.6468 -0.1054 -0.1322 3559553 ACon1_000220 C/C=C(\C)/C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C)[C@H]1C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L03 compound treatment -0.012 -0.023626 -0.1231 -0.073 -0.09327 -0.5183 0.042 0.01962 0.111 -0.3063 -0.5628 3558112 ACon1_000221 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L04 compound treatment 0.115 0.10337 0.5388 0.008 -0.01227 -0.0682 0.133 0.11062 0.6256 0.6329 0.764 3559775 ACon1_000222 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L05 compound treatment 0.073 0.061374 0.3199 0.096 0.07573 0.4208 0.112 0.08962 0.5068 0.7203 0.9835 2137 ACon1_000223 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L06 compound treatment 0.24 0.22837 1.1903 -0.071 -0.09127 -0.5072 -0.056 -0.07838 -0.4433 0.1385 0.1013 3559437 ACon1_000224 CC(=CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L07 mock treatment 0.0 -0.011626 -0.0606 -0.056 -0.07627 -0.4238 0.046 0.02362 0.1336 -0.2026 -0.4517 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L08 mock treatment 0.089 0.077374 0.4033 0.13 0.10973 0.6098 -0.019 -0.04138 -0.234 0.4498 0.586 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L09 compound treatment -0.055 -0.066626 -0.3473 0.006 -0.01427 -0.0793 0.181 0.15862 0.897 0.2716 0.2814 3559831 ACon1_000225 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L10 compound treatment 0.05 0.038374 0.2 -0.089 -0.10927 -0.6072 -0.019 -0.04138 -0.234 -0.3702 -0.5438 3558043 ACon1_000226 COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L11 compound treatment 0.046 0.034374 0.1792 -0.096 -0.11627 -0.6461 0.032 0.0096202 0.0544 -0.2382 -0.3541 3554965 ACon1_000227 COc1cc(O)c(C(=O)O)c(c1)c2cc(O)c(O)cc2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L12 compound treatment 0.057 0.045374 0.2365 -0.118 -0.13827 -0.7684 -0.095 -0.11738 -0.6638 -0.6903 -0.6621 3180152 ACon1_000228 CC(=C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L13 compound treatment -0.006 -0.017626 -0.0919 0.152 0.13173 0.732 0.084 0.06162 0.3485 0.5708 0.6996 3551952 ACon1_000229 C/C(=C\1/CCC2(COC3C2)C1CCC3(O)C(=O)O)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L14 compound treatment 0.057 0.045374 0.2365 -0.02 -0.04027 -0.2238 0.091 0.06862 0.3881 0.2314 0.4568 3557691 ACon1_000230 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(CCC3(C)O)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L15 mock treatment 0.024 0.012374 0.0645 -0.139 -0.15927 -0.8851 -0.133 -0.15538 -0.8787 -0.9811 -0.7856 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L16 mock treatment -0.041 -0.052626 -0.2743 -0.056 -0.07627 -0.4238 -0.152 -0.17438 -0.9861 -0.9724 -0.8777 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L17 compound treatment -0.104 -0.11563 -0.6027 0.0 -0.02027 -0.1126 -0.078 -0.10038 -0.5677 -0.7407 -0.8865 1029504 ACon1_000231 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L18 compound treatment -0.056 -0.067626 -0.3525 0.106 0.08573 0.4764 0.52 0.49762 2.8141 1.6963 0.5898 3557784 ACon1_000232 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L19 compound treatment 0.122 0.11037 0.5753 0.123 0.10273 0.5709 0.17 0.14762 0.8348 1.1437 0.983 3555882 ACon1_000233 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L20 compound treatment 0.195 0.18337 0.9558 -0.044 -0.06427 -0.3572 0.082 0.05962 0.3372 0.5403 0.5028 3557549 ACon1_000234 C[C@](OC(=O)/C=C/c1ccc(O)c(O)c1)([C@@H](O)CO)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L21 compound treatment -0.067 -0.078626 -0.4098 0.108 0.08773 0.4875 -0.06 -0.08238 -0.4659 -0.2241 -0.284 3559569 ACon1_000235 COC(=O)/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L22 compound treatment 0.033 0.021374 0.1114 -0.068 -0.08827 -0.4905 0.007 -0.01538 -0.087 -0.2691 -0.5271 3557634 ACon1_000236 C/C=C(/C)\C(=O)OC1C(OC(=O)/C(=C\C)/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L23 mock treatment -0.136 -0.14763 -0.7695 0.124 0.10373 0.5764 -0.047 -0.06938 -0.3924 -0.338 -0.3255 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 L24 mock treatment 0.238 0.22637 1.1799 -0.031 -0.05127 -0.2849 -0.105 -0.12738 -0.7204 0.1008 0.0714 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M01 compound treatment 0.0 -0.011626 -0.0606 -0.007 -0.02727 -0.1515 -0.073 -0.09538 -0.5394 -0.4339 -0.7699 3559074 ACon1_000237 COc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M02 compound treatment 0.075 0.063374 0.3303 -0.064 -0.08427 -0.4683 0.034 0.01162 0.0657 -0.0417 -0.0723 959 ACon1_000238 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M03 compound treatment -0.083 -0.094626 -0.4932 0.026 0.00573 0.0318 -0.079 -0.10138 -0.5733 -0.5974 -0.7892 1002015 ACon1_000239 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M04 compound treatment 0.026 0.014374 0.0749 0.05 0.02973 0.1652 0.086 0.06362 0.3598 0.3464 0.8596 3557491 ACon1_000240 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(=O)CC45C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M05 compound treatment 0.032 0.020374 0.1062 0.506 0.48573 2.6993 0.436 0.41362 2.3391 2.9702 0.8312 3559514 ACon1_000241 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M06 compound treatment 0.173 0.16137 0.8411 0.081 0.06073 0.3375 0.092 0.06962 0.3937 0.9078 0.9187 3558910 ACon1_000242 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M07 compound treatment 0.116 0.10437 0.544 -0.045 -0.06527 -0.3627 0.209 0.18662 1.0554 0.714 0.5751 3559317 ACon1_000243 C[C@@H]1CC[C@@H](/C=C(\C)/C(=O)O)C2=C(C)C[C@@H](OC(=O)C)[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M08 compound treatment 0.232 0.22037 1.1486 0.036 0.01573 0.0874 0.118 0.09562 0.5408 1.0258 0.8061 3552818 ACon1_000244 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M09 mock treatment 0.0 -0.011626 -0.0606 0.059 0.03873 0.2152 0.044 0.02162 0.1223 0.1599 0.6273 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M10 mock treatment 0.031 0.019374 0.101 -0.019 -0.03927 -0.2182 0.0 -0.02238 -0.1266 -0.1408 -0.518 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M11 compound treatment -0.073 -0.084626 -0.4411 0.117 0.09673 0.5375 0.018 -0.0043798 -0.0248 0.0414 0.0595 3553135 ACon1_000245 C[C@H]1CC[C@H](OC(=O)C)[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C)[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M12 compound treatment -0.042 -0.053626 -0.2795 0.262 0.24173 1.3433 0.154 0.13162 0.7443 1.0439 0.6688 3554653 ACon1_000246 COC(=O)C(=C)CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M13 mock treatment -0.181 -0.19263 -1.004 -0.06 -0.08027 -0.4461 -0.018 -0.04038 -0.2284 -0.969 -0.8636 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M14 mock treatment -0.028 -0.039626 -0.2065 -0.029 -0.04927 -0.2738 0.075 0.05262 0.2976 -0.1055 -0.2324 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M15 compound treatment 0.027 0.015374 0.0801 -0.032 -0.05227 -0.2905 0.087 0.06462 0.3654 0.0895 0.1891 3551999 ACon1_000247 C/C=C(/C)\C(=O)O[C@@H]1C[C@@H](OC(=O)/C(=C\C)/C)[C@](C)(CO)C2C3[C@H](C)CC(=O)C2[C@@]31C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M16 compound treatment -0.025 -0.036626 -0.1909 -0.163 -0.18327 -1.0185 0.057 0.03462 0.1958 -0.5852 -0.5549 3552704 ACon1_000248 C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M17 compound treatment 0.411 0.39937 2.0816 -0.019 -0.03927 -0.2182 0.0 -0.02238 -0.1266 1.0028 0.4782 1502018 ACon1_000249 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M18 compound treatment 0.094 0.082374 0.4294 0.154 0.13373 0.7432 0.019 -0.0033798 -0.0191 0.6659 0.7757 3557806 ACon1_000250 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M19 compound treatment 0.231 0.21937 1.1434 0.02 -2.7002E-4 -0.0015 -0.047 -0.06938 -0.3924 0.4328 0.358 1012 ACon1_000251 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M20 compound treatment 0.011 -6.2552E-4 -0.0033 -0.129 -0.14927 -0.8295 -0.038 -0.06038 -0.3415 -0.6779 -0.7557 3559846 ACon1_000252 OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M21 compound treatment 0.173 0.16137 0.8411 0.113 0.09273 0.5153 0.344 0.32162 1.8188 1.8332 0.886 3559747 ACon1_000253 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M22 compound treatment -0.116 -0.12763 -0.6652 -0.046 -0.06627 -0.3683 -0.04 -0.06238 -0.3528 -0.8004 -0.9548 3554833 ACon1_000254 COc1cc(C)c(C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC(=O)C)n3ccc(=O)[nH]c3=O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M23 compound treatment 0.529 0.51737 2.6967 0.591 0.57073 3.1716 0.431 0.40862 2.3108 4.7222 0.9918 3559655 ACon1_000255 COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 M24 compound treatment 0.043 0.031374 0.1635 -0.048 -0.06827 -0.3794 -0.03 -0.05238 -0.2962 -0.2956 -0.5816 3559343 ACon1_000256 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N01 compound treatment 0.032 0.020374 0.1062 -0.014 -0.03427 -0.1904 0.027 0.0046202 0.0261 -0.0336 -0.1528 3558015 ACon1_000257 COc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N02 compound treatment -0.1 -0.11163 -0.5818 -0.147 -0.16727 -0.9295 -0.071 -0.09338 -0.5281 -1.1775 -0.9674 3559555 ACon1_000258 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(=C/C(=O)O)/C)C(=C)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N03 compound treatment -0.038 -0.049626 -0.2587 0.06 0.03973 0.2208 0.139 0.11662 0.6595 0.3589 0.4837 3557706 ACon1_000259 O=C(CCCCCC/C=C/c1ccc2OCOc2c1)N3CCCCC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N04 compound treatment 0.029 0.017374 0.0906 0.4 0.37973 2.1102 0.745 0.72262 4.0866 3.63 0.7891 1538 ACon1_000260 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N05 compound treatment -0.05 -0.061626 -0.3212 0.045 0.02473 0.1374 0.164 0.14162 0.8009 0.3563 0.4078 3557638 ACon1_000261 COC(=O)c1ccccc1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N06 compound treatment 0.138 0.12637 0.6587 -0.052 -0.07227 -0.4016 0.092 0.06962 0.3937 0.3757 0.4338 3614343 ACon1_000262 CC(C)C(NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OCC3(O)[C@@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N07 compound treatment 0.122 0.11037 0.5753 -0.006 -0.02627 -0.146 0.219 0.19662 1.1119 0.8898 0.706 3553729 ACon1_000263 CC(CO)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N08 compound treatment -0.041 -0.052626 -0.2743 -0.159 -0.17927 -0.9962 0.048 0.02562 0.1449 -0.6499 -0.6229 3614345 ACon1_000264 CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC3C(=CCC4C(C)(CCCC34C)C(=O)O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N09 mock treatment -0.049 -0.060626 -0.316 -0.024 -0.04427 -0.246 0.102 0.07962 0.4503 -0.0645 -0.1071 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N10 mock treatment 0.019 0.0073745 0.0384 -0.1 -0.12027 -0.6684 -0.181 -0.20338 -1.1502 -1.0277 -0.7723 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N11 compound treatment 0.099 0.087374 0.4554 0.2 0.17973 0.9988 0.421 0.39862 2.2543 2.1411 0.8539 3559351 ACon1_000265 CCCCC(CCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N12 compound treatment 0.041 0.029374 0.1531 0.047 0.02673 0.1485 -0.059 -0.08138 -0.4602 -0.0915 -0.1805 3559523 ACon1_000266 CC(=CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)C3CCC2=C)C1=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N13 mock treatment 0.134 0.12237 0.6378 0.177 0.15673 0.871 0.02 -0.0023798 -0.0135 0.8633 0.7997 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N14 mock treatment -0.119 -0.13063 -0.6809 -0.07 -0.09027 -0.5016 -0.054 -0.07638 -0.4319 -0.9321 -0.9815 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N15 compound treatment -0.025 -0.036626 -0.1909 -0.046 -0.06627 -0.3683 0.007 -0.01538 -0.087 -0.3731 -0.8802 2181 ACon1_000267 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N16 compound treatment 0.396 0.38437 2.0035 0.12 0.09973 0.5542 0.123 0.10062 0.569 1.8052 0.8376 3557681 ACon1_000268 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N17 compound treatment 0.037 0.025374 0.1323 0.083 0.06273 0.3486 0.109 0.08662 0.4899 0.5604 0.9104 3557477 ACon1_000269 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N18 compound treatment 0.301 0.28937 1.5083 0.005 -0.01527 -0.0849 0.158 0.13562 0.767 1.2646 0.7464 270 ACon1_000270 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N19 compound treatment 0.116 0.10437 0.544 -0.13 -0.15027 -0.8351 0.163 0.14062 0.7952 0.2911 0.2283 3558281 ACon1_000271 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N20 compound treatment 0.178 0.16637 0.8672 -0.03 -0.05027 -0.2794 -0.006 -0.02838 -0.1605 0.2467 0.2667 3553516 ACon1_000272 CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]3OC(=O)C(=C)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N21 compound treatment 0.0 -0.011626 -0.0606 -0.046 -0.06627 -0.3683 -0.006 -0.02838 -0.1605 -0.3403 -0.8375 3559609 ACon1_000273 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O[C@H]6CC[C@@]7(C)C(CC[C@]8(C)C7CC[C@@]9%10OC[C@@]%11(CCC(C)(C)CC%11%10)[C@H](O)C[C@]98C)C6(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N22 compound treatment -0.155 -0.16663 -0.8685 -0.086 -0.10627 -0.5906 -0.181 -0.20338 -1.1502 -1.5064 -0.9672 3552601 ACon1_000274 C[C@@H](CC[C@H]1C(=CC(=O)C2C(C)(C)CCC[C@]12C)C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N23 compound treatment 0.033 0.021374 0.1114 0.066 0.04573 0.2541 0.07 0.04762 0.2693 0.3665 0.9479 1307633 ACon1_000275 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 N24 compound treatment 0.0 -0.011626 -0.0606 0.0 -0.02027 -0.1126 -0.024 -0.04638 -0.2623 -0.2515 -0.8617 3557790 ACon1_000276 CC1CCC(=O)C2(O)CC(=O)C3C(C3(C)C)C12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O01 compound treatment 0.199 0.18737 0.9766 0.013 -0.00727 -0.0404 0.007 -0.01538 -0.087 0.4903 0.4996 3559471 ACon1_000277 C[C@@]12CCCC(=C)[C@@H]2C[C@@](O)(CC1)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O02 compound treatment 0.097 0.085374 0.445 0.187 0.16673 0.9265 0.047 0.02462 0.1392 0.8722 0.8409 3185117 ACon1_000278 CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O03 compound treatment 0.044 0.032374 0.1687 0.024 0.00373 0.0207 0.087 0.06462 0.3654 0.3204 0.7949 2069231 ACon1_000279 CC(=CCc1cc(ccc1O)C(=O)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O04 compound treatment 0.089 0.077374 0.4033 1.547 1.5267 6.7329 1.723 1.7006 7.1613 8.2547 0.8391 2091975 ACon1_000280 C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O05 compound treatment 0.006 -0.0056255 -0.0293 -0.036 -0.05627 -0.3127 -0.145 -0.16738 -0.9466 -0.744 -0.746 3559534 ACon1_000281 CC1C[C@@H]2OC(=O)C(=C)C2C[C@]34O[C@]4(C)CCC13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O06 compound treatment -0.157 -0.16863 -0.8789 -0.011 -0.03127 -0.1738 0.137 0.11462 0.6482 -0.2335 -0.2112 3614346 ACon1_000282 O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O07 compound treatment 0.013 0.0013745 0.0072 0.222 0.20173 1.121 0.186 0.16362 0.9253 1.1856 0.8156 3558551 ACon1_000283 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)OC8OC(CO)C(O)C(O)C8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O08 compound treatment -0.03 -0.041626 -0.217 -0.037 -0.05727 -0.3183 0.164 0.14162 0.8009 0.1534 0.1726 1000088 ACon1_000284 OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O09 compound treatment -0.024 -0.035626 -0.1857 0.116 0.09573 0.532 0.08 0.05762 0.3259 0.3881 0.5962 3559591 ACon1_000285 C[C@@]1(O)C[C@@]2(CC1CC[C@H]23)CCC4C(C)(C)[C@H](CC[C@@]34C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O10 compound treatment -0.212 -0.22363 -1.1656 0.077 0.05673 0.3153 0.06 0.03762 0.2127 -0.3681 -0.3002 3554190 ACon1_000286 CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O11 mock treatment -0.068 -0.079626 -0.415 0.098 0.07773 0.432 0.0 -0.02238 -0.1266 -0.0633 -0.1034 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O12 mock treatment 0.131 0.11937 0.6222 0.067 0.04673 0.2597 -0.057 -0.07938 -0.4489 0.25 0.3086 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O13 compound treatment 0.144 0.13237 0.69 0.129 0.10873 0.6042 0.0 -0.02238 -0.1266 0.6741 0.7281 3069775 ACon1_000287 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O14 compound treatment 0.032 0.020374 0.1062 0.083 0.06273 0.3486 0.027 0.0046202 0.0261 0.2777 0.76 3557505 ACon1_000288 CC(C)C(O)C(=O)O[C@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)[C@@H]2[C@H](OC(=O)C2=C)/C=C1/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O15 compound treatment -0.097 -0.10863 -0.5662 0.024 0.00373 0.0207 -0.073 -0.09538 -0.5394 -0.6263 -0.8007 3559563 ACon1_000289 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O16 compound treatment 1.264 1.2524 5.7967 0.602 0.58173 3.2328 0.728 0.70562 3.9904 7.517 0.9706 3559243 ACon1_000290 COc1cc(cc(OC)c1O)C2C(CO)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Cc4cc(OC)c(O)c(OC)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O17 compound treatment -0.006 -0.017626 -0.0919 0.018 -0.00227 -0.0126 -0.134 -0.15638 -0.8844 -0.5709 -0.642 3559643 ACon1_000291 OC(CCc1ccccc1)CC(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O18 compound treatment 0.011 -6.2552E-4 -0.0033 0.054 0.03373 0.1874 0.27 0.24762 1.4003 0.9148 0.6475 3559322 ACon1_000292 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O19 compound treatment 0.199 0.18737 0.9766 0.298 0.27773 1.5434 0.316 0.29362 1.6605 2.4136 0.9778 1071301 ACon1_000293 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O20 compound treatment 0.304 0.29237 1.5239 -0.099 -0.11927 -0.6628 0.25 0.22762 1.2872 1.2404 0.5901 3557261 ACon1_000294 OC(=O)CCC(=O)Cc1ccccc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O21 compound treatment 0.096 0.084374 0.4398 0.101 0.08073 0.4486 0.049 0.02662 0.1505 0.5998 0.9285 1010377 ACon1_000295 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O22 compound treatment 0.081 0.069374 0.3616 -0.124 -0.14427 -0.8017 -0.017 -0.03938 -0.2227 -0.3827 -0.4218 3557778 ACon1_000296 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O23 compound treatment 0.065 0.053374 0.2782 0.124 0.10373 0.5764 0.181 0.15862 0.897 1.0113 0.9177 2080073 ACon1_000297 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 O24 compound treatment -0.006 -0.017626 -0.0919 0.092 0.07173 0.3986 0.063 0.04062 0.2297 0.3097 0.6602 3559339 ACon1_000298 COc1c(O)c2c(=O)c(coc2cc1O[C@@H]3O[C@H](CO[C@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c5ccc(O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P01 compound treatment -0.113 -0.12463 -0.6496 -0.196 -0.21627 -1.2018 -0.078 -0.10038 -0.5677 -1.3967 -0.9441 3554303 ACon1_000299 CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P02 compound treatment -0.006 -0.017626 -0.0919 -0.021 -0.04127 -0.2293 -0.184 -0.20638 -1.1671 -0.8593 -0.7203 3553173 ACon1_000300 CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P03 compound treatment -0.133 -0.14463 -0.7538 -0.043 -0.06327 -0.3516 -0.061 -0.08338 -0.4715 -0.9105 -0.9522 3557492 ACon1_000301 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(O)CC45C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P04 compound treatment -0.116 -0.12763 -0.6652 0.204 0.18373 1.021 0.407 0.38462 2.1751 1.4612 0.5861 3554488 ACon1_000302 CN1CC(C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P05 compound treatment -0.036 -0.047626 -0.2482 0.21 0.18973 1.0544 -0.06 -0.08238 -0.4659 0.1964 0.1666 3558904 ACon1_000303 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P06 compound treatment 0.055 0.043374 0.2261 -0.095 -0.11527 -0.6406 -0.024 -0.04638 -0.2623 -0.3907 -0.5366 3614348 ACon1_000304 COc1cc(O)c2C(=O)OC(O)(CO)C(C)c2c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P07 compound treatment -0.094 -0.10563 -0.5505 0.149 0.12873 0.7154 0.261 0.23862 1.3494 0.8743 0.5385 3557880 ACon1_000305 COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P08 compound treatment -0.031 -0.042626 -0.2222 -0.012 -0.03227 -0.1793 0.283 0.26062 1.4739 0.6191 0.4124 3614349 ACon1_000306 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)cc2C(=O)N(Cc2c1O)C(CCC(=O)O)C(=O)O)/C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P09 compound treatment -0.073 -0.084626 -0.4411 -0.024 -0.04427 -0.246 0.083 0.06062 0.3428 -0.1988 -0.3256 3559304 ACon1_000307 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P10 compound treatment 0.0 -0.011626 -0.0606 0.238 0.21773 1.21 0.11 0.08762 0.4955 0.9497 0.7256 3559823 ACon1_000308 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P11 mock treatment 0.06 0.048374 0.2521 -0.055 -0.07527 -0.4183 0.037 0.01462 0.0827 -0.0482 -0.0973 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P12 mock treatment 0.177 0.16537 0.862 -0.034 -0.05427 -0.3016 0.019 -0.0033798 -0.0191 0.3125 0.3421 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P13 compound treatment -0.074 -0.085626 -0.4463 -0.101 -0.12127 -0.6739 0.027 0.0046202 0.0261 -0.6317 -0.7811 3559341 ACon1_000309 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P14 compound treatment -0.172 -0.18363 -0.9571 -0.048 -0.06827 -0.3794 0.025 0.0026202 0.0148 -0.7631 -0.7411 3557710 ACon1_000310 CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P15 compound treatment -0.103 -0.11463 -0.5975 0.075 0.05473 0.3041 0.077 0.05462 0.3089 0.009 0.0122 3559388 ACon1_000311 COc1cc2occ(c3ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c(O)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P16 compound treatment 0.2 0.18837 0.9819 0.006 -0.01427 -0.0793 0.219 0.19662 1.1119 1.1631 0.7829 3557667 ACon1_000312 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)O[C@@]81CCC(=C)CO8 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P17 compound treatment 0.149 0.13737 0.716 0.2 0.17973 0.9988 0.006 -0.01638 -0.0926 0.9366 0.7599 3614351 ACon1_000313 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P18 compound treatment 0.105 0.093374 0.4867 0.047 0.02673 0.1485 0.15 0.12762 0.7217 0.7834 0.8872 3552822 ACon1_000314 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]3(C[C@@H]4CC=C32)CC4=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P19 compound treatment 0.006 -0.0056255 -0.0293 0.149 0.12873 0.7154 0.162 0.13962 0.7896 0.852 0.7993 3557267 ACon1_000315 NC(=O)Cc1ccc(O)c(Cl)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P20 compound treatment 0.155 0.14337 0.7473 0.064 0.04373 0.243 0.154 0.13162 0.7443 1.0015 0.9253 3557599 ACon1_000316 C[C@H]1CCC(CC=C1CCC(=O)C)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P21 compound treatment -0.012 -0.023626 -0.1231 -0.012 -0.03227 -0.1793 -0.11 -0.13238 -0.7486 -0.6069 -0.7784 3614352 ACon1_000317 COc1ccc(cc1)C(=O)O[C@H]2CC(=CCC3(C)CC[C@@](O)(C(C)C)[C@H]23)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P22 compound treatment 0.066 0.054374 0.2834 0.036 0.01573 0.0874 0.17 0.14762 0.8348 0.6961 0.7857 3557663 ACon1_000318 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P23 compound treatment 0.401 0.38937 2.0295 0.243 0.22273 1.2377 0.195 0.17262 0.9762 2.45 0.9534 1113986 ACon1_000319 O=c1cccc2C3CNCC(C3)Cn21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2290 P24 compound treatment 0.046 0.034374 0.1792 -0.087 -0.10727 -0.5961 0.169 0.14662 0.8292 0.238 0.2295 3557792 ACon1_000320 C/C=C(\C)/C(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]3[C@H]4OC(=O)C(=C)[C@@H]4C[C@@H](O)[C@@]13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A01 compound treatment -0.025 -0.036626 -0.1909 -0.013 -0.03327 -0.1849 -0.032 -0.05438 -0.3075 -0.3945 -0.9706 3557665 ACon1_000321 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A02 compound treatment 0.113 0.10137 0.5284 -0.007 -0.02727 -0.1515 -0.029 -0.05138 -0.2906 0.0498 0.0801 3558065 ACon1_000322 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A03 compound treatment -0.02 -0.031626 -0.1648 0.071 0.05073 0.2819 -0.079 -0.10138 -0.5733 -0.2634 -0.3992 3557987 ACon1_000323 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A04 compound treatment -0.038 -0.049626 -0.2587 0.059 0.03873 0.2152 0.025 0.0026202 0.0148 -0.0165 -0.049 3558147 ACon1_000324 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A05 compound treatment 0.182 0.17037 0.888 0.08 0.05973 0.3319 0.101 0.07862 0.4446 0.961 0.9178 3558051 ACon1_000325 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A06 compound treatment 0.07 0.058374 0.3043 0.099 0.07873 0.4375 0.117 0.09462 0.5351 0.7372 0.9762 3558231 ACon1_000326 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3cc(O)c(OC)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A07 compound treatment -0.012 -0.023626 -0.1231 0.058 0.03773 0.2097 0.321 0.29862 1.6888 1.025 0.6007 3558131 ACon1_000327 OCC1OC(Oc2cc(O)cc(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A08 compound treatment 0.108 0.096374 0.5023 -0.018 -0.03827 -0.2127 -0.031 -0.05338 -0.3019 -0.0071 -0.0113 3553198 ACon1_000328 CC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A09 compound treatment 0.018 0.0063745 0.0332 0.105 0.08473 0.4709 0.179 0.15662 0.8857 0.8024 0.7995 3558232 ACon1_000329 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@H](CC[C@@H]31)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A10 compound treatment -0.04 -0.051626 -0.2691 0.051 0.03073 0.1708 0.104 0.08162 0.4616 0.2097 0.3739 3553751 ACon1_000330 CC(O)C(O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)C13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A11 compound treatment -0.02 -0.031626 -0.1648 0.054 0.03373 0.1874 -0.006 -0.02838 -0.1605 -0.0796 -0.2683 3614354 ACon1_000331 CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A12 compound treatment -0.027 -0.038626 -0.2013 0.301 0.28073 1.5601 0.15 0.12762 0.7217 1.2011 0.694 3614356 ACon1_000332 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A13 mock treatment -0.013 -0.024626 -0.1284 -0.027 -0.04727 -0.2627 0.013 -0.0093798 -0.053 -0.2564 -0.8629 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A14 mock treatment 0.082 0.070374 0.3668 0.029 0.00873 0.0485 -0.023 -0.04538 -0.2566 0.0916 0.2035 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A15 compound treatment 0.094 0.082374 0.4294 -0.04 -0.06027 -0.3349 0.042 0.01962 0.111 0.1186 0.2134 3553760 ACon1_000333 CC(O)CCCCC(C(=O)O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A16 compound treatment -0.006 -0.017626 -0.0919 0.039 0.01873 0.1041 -0.055 -0.07738 -0.4376 -0.2456 -0.535 3559671 ACon1_000334 CC(CCOC(=O)C)CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A17 compound treatment 0.114 0.10237 0.5336 -0.083 -0.10327 -0.5739 -0.201 -0.22338 -1.2633 -0.7526 -0.5063 3559515 ACon1_000335 COC(=O)/C=C(\C)/CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A18 compound treatment 0.14 0.12837 0.6691 0.018 -0.00227 -0.0126 -0.018 -0.04038 -0.2284 0.2472 0.3496 2082296 ACon1_000336 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A19 compound treatment -0.025 -0.036626 -0.1909 0.057 0.03673 0.2041 0.069 0.04662 0.2636 0.1598 0.416 3553961 ACon1_000337 CC1CC(=O)C2=C(C1)C(Cl)C(O)C3(O)C(O)c4c(O)cccc4C(=O)C23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A20 compound treatment 0.279 0.26737 1.3936 -0.041 -0.06127 -0.3405 0.182 0.15962 0.9027 1.1292 0.6662 3557551 ACon1_000338 COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c3C(=O)CC(Oc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A21 compound treatment 0.193 0.18137 0.9454 0.19 0.16973 0.9432 0.258 0.23562 1.3325 1.8597 0.9858 3557759 ACon1_000339 C[C@@H]1CC[C@]2(C)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A22 compound treatment 0.081 0.069374 0.3616 -0.075 -0.09527 -0.5294 0.177 0.15462 0.8744 0.4079 0.3762 3557801 ACon1_000340 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC/C(=C/CC/C(=C/CC/C(=C/CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)/C)/C)/C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A23 compound treatment 0.145 0.13337 0.6952 0.086 0.06573 0.3653 0.013 -0.0093798 -0.053 0.5816 0.739 3557890 ACon1_000341 COc1cc(cc(OC)c1OC)C(=O)OC2OC(CO)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 A24 compound treatment 0.107 0.095374 0.4971 0.054 0.03373 0.1874 0.079 0.05662 0.3202 0.5801 0.9352 3558223 ACon1_000342 COc1cc(O)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B01 compound treatment 0.111 0.099374 0.518 0.176 0.15573 0.8654 0.04 0.01762 0.0996 0.8562 0.8448 3559333 ACon1_000343 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC3C(C)C(CC3C(CO)CO)OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B02 compound treatment -0.065 -0.076626 -0.3994 -0.055 -0.07527 -0.4183 0.118 0.09562 0.5408 -0.1599 -0.2019 3559681 ACon1_000344 CC(=O)OC[C@]12CCC[C@]3(C)[C@@H]2[C@@H](OC1=O)[C@H](OC(=O)C)[C@]4(C[C@H]5CC[C@H]43)CC5=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B03 compound treatment 0.013 0.0013745 0.0072 -0.014 -0.03427 -0.1904 0.07 0.04762 0.2693 0.0497 0.1505 3557417 ACon1_000345 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B04 compound treatment 0.199 0.18737 0.9766 -0.073 -0.09327 -0.5183 0.013 -0.0093798 -0.053 0.234 0.2114 3559419 ACon1_000346 COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B05 compound treatment 0.158 0.14637 0.7629 -0.017 -0.03727 -0.2071 -0.06 -0.08238 -0.4659 0.0519 0.0566 3559255 ACon1_000347 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B06 compound treatment 0.194 0.18237 0.9506 0.137 0.11673 0.6487 0.115 0.09262 0.5238 1.2257 0.9694 3555950 ACon1_000348 Oc1cccc(C(=O)NCC[C@@H](CNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B07 compound treatment -0.051 -0.062626 -0.3264 -0.149 -0.16927 -0.9407 -0.006 -0.02838 -0.1605 -0.8242 -0.8172 3555286 ACon1_000349 COc1ccc2[C@H](C)[C@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B08 compound treatment -0.142 -0.15363 -0.8007 0.118 0.09773 0.5431 0.198 0.17562 0.9932 0.4247 0.3063 715 ACon1_000350 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B09 compound treatment 0.162 0.15037 0.7838 0.094 0.07373 0.4097 -0.175 -0.19738 -1.1162 0.0446 0.0313 3559310 ACon1_000351 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(oc2c1)c5ccc(O)c(O)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B10 compound treatment 0.013 0.0013745 0.0072 -0.05 -0.07027 -0.3905 -0.081 -0.10338 -0.5846 -0.5589 -0.7949 3555614 ACon1_000352 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3cccc4cc5COC(=O)c5c(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B11 compound treatment -0.007 -0.018626 -0.0971 0.092 0.07173 0.3986 0.116 0.09362 0.5294 0.4798 0.7163 1352 ACon1_000353 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B12 compound treatment -0.006 -0.017626 -0.0919 0.166 0.14573 0.8098 0.101 0.07862 0.4446 0.6712 0.723 3552679 ACon1_000354 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](OC(=O)C)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B13 mock treatment -0.062 -0.073626 -0.3838 0.212 0.19173 1.0655 0.081 0.05862 0.3315 0.585 0.4958 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B14 mock treatment -0.073 -0.084626 -0.4411 -0.134 -0.15427 -0.8573 0.02 -0.0023798 -0.0135 -0.7574 -0.7855 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B15 compound treatment -0.019 -0.030626 -0.1596 0.128 0.10773 0.5987 0.118 0.09562 0.5408 0.5657 0.6879 3559749 ACon1_000355 CC(C)CC(=O)O[C@@H]1C/C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)/C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B16 compound treatment 0.407 0.39537 2.0608 -0.138 -0.15827 -0.8795 -0.094 -0.11638 -0.6581 0.302 0.1293 3554812 ACon1_000356 COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B17 compound treatment 0.104 0.092374 0.4815 0.022 0.00173 0.0096 0.212 0.18962 1.0723 0.9026 0.7679 3559769 ACon1_000357 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B18 compound treatment -0.023 -0.034626 -0.1805 -0.031 -0.05127 -0.2849 0.092 0.06962 0.3937 -0.0414 -0.0798 3557998 ACon1_000358 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)/C=C/c6ccccc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B19 compound treatment -0.103 -0.11463 -0.5975 -0.019 -0.03927 -0.2182 0.013 -0.0093798 -0.053 -0.5016 -0.7858 3559817 ACon1_000359 COc1c(CC=C(C)C)cc(cc1CC=C(C)C)C2CC(=O)c3c(O)cc(O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B20 compound treatment 0.096 0.084374 0.4398 -0.027 -0.04727 -0.2627 0.0 -0.02238 -0.1266 0.0292 0.0553 3554713 ACon1_000360 COC(=O)c1cc(OC)cc(OC)c1C(=O)c2coc(/C=C/C)c(OC)c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B21 compound treatment 0.119 0.10737 0.5597 -0.09 -0.11027 -0.6128 -0.116 -0.13838 -0.7826 -0.4825 -0.423 3553590 ACon1_000361 CC(C)C1CCC2(C)CCC(O)C(C)(O)C2C1OC(=O)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B22 compound treatment -0.053 -0.064626 -0.3368 0.103 0.08273 0.4597 0.092 0.06962 0.3937 0.2983 0.4306 3558127 ACon1_000362 OCC1OC(OC2OC=CC3(O)C(OC(=O)c4ccc(O)cc4)C=C(CO)C23)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B23 compound treatment 0.039 0.027374 0.1427 -0.026 -0.04627 -0.2571 0.025 0.0026202 0.0148 -0.0575 -0.1954 3553394 ACon1_000363 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 B24 compound treatment 0.209 0.19737 1.0288 -0.256 -0.27627 -1.5353 -0.325 -0.34738 -1.9645 -1.4266 -0.5289 3553902 ACon1_000364 CC1=C(C)C(=O)O[C@@H](C1)[C@](C)(O)C2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C01 compound treatment -0.035 -0.046626 -0.243 -0.052 -0.07227 -0.4016 0.105 0.08262 0.4672 -0.1024 -0.1546 3557813 ACon1_000365 OC1COC(Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c4ccc(O)c(O)c4)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C02 compound treatment -0.039 -0.050626 -0.2639 -0.028 -0.04827 -0.2682 0.02 -0.0023798 -0.0135 -0.315 -0.8366 3558044 ACon1_000366 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C03 compound treatment -0.018 -0.029626 -0.1544 0.012 -0.00827 -0.046 -0.06 -0.08238 -0.4659 -0.3847 -0.7803 3557757 ACon1_000367 COc1cc(O)cc2occ(c3ccc(O)cc3)c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C04 compound treatment -0.086 -0.097626 -0.5088 0.284 0.26373 1.4656 0.34 0.31762 1.7962 1.5894 0.6697 3552816 ACon1_000368 C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C05 compound treatment 0.012 3.7448E-4 0.002 0.152 0.13173 0.732 -0.096 -0.11838 -0.6695 0.0373 0.0376 3558075 ACon1_000369 OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C06 compound treatment 0.027 0.015374 0.0801 0.287 0.26673 1.4823 0.262 0.23962 1.3551 1.6844 0.838 3554832 ACon1_000370 COc1cc(c(OC)cc1O)c2coc3cc(O)cc(O)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C07 compound treatment 0.292 0.28037 1.4614 0.247 0.22673 1.26 0.224 0.20162 1.1402 2.2295 0.9947 3558135 ACon1_000371 COc1cc2OC(CC(=O)c2c(OC)c1C)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C08 compound treatment 0.078 0.066374 0.346 0.171 0.15073 0.8376 0.256 0.23362 1.3212 1.4461 0.9026 3559269 ACon1_000372 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C09 compound treatment -0.055 -0.066626 -0.3473 0.162 0.14173 0.7876 -0.055 -0.07738 -0.4376 0.0016 0.0016 703 ACon1_000373 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C10 compound treatment 0.102 0.090374 0.4711 0.303 0.28273 1.5712 -0.073 -0.09538 -0.5394 0.8677 0.5025 3553121 ACon1_000374 C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@@H]23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C11 mock treatment -0.052 -0.063626 -0.3316 -0.127 -0.14727 -0.8184 0.0 -0.02238 -0.1266 -0.737 -0.8262 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C12 mock treatment -0.017 -0.028626 -0.1492 -0.006 -0.02627 -0.146 -0.044 -0.06638 -0.3754 -0.3872 -0.9014 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C13 compound treatment 0.014 0.0023745 0.0124 -0.013 -0.03327 -0.1849 0.032 0.0096202 0.0544 -0.0682 -0.3531 3558186 ACon1_000375 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)Cc4ccc(O)cc4)C(=CC2=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C14 compound treatment -0.058 -0.069626 -0.3629 -0.19 -0.21027 -1.1685 0.06 0.03762 0.2127 -0.7613 -0.613 3557399 ACon1_000376 OC1C=CC(O)C23OC13C(O)C=CC42Oc5cccc6cccc(O4)c56 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C15 mock treatment 0.076 0.064374 0.3355 0.068 0.04773 0.2652 -0.082 -0.10438 -0.5903 0.0061 0.0083 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C16 mock treatment -0.07 -0.081626 -0.4255 0.089 0.06873 0.3819 0.138 0.11562 0.6539 0.3524 0.4057 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C17 compound treatment 0.199 0.18737 0.9766 -0.029 -0.04927 -0.2738 -0.006 -0.02838 -0.1605 0.3131 0.3049 3553202 ACon1_000377 CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C18 compound treatment 0.03 0.018374 0.0958 0.024 0.00373 0.0207 0.102 0.07962 0.4503 0.3272 0.7101 3557463 ACon1_000378 COc1cc(oc(=O)c1)C2C3(O)CC4OC(=O)C3(O)C(C(=O)c5ccccc5)C2(O)C4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C19 compound treatment 0.224 0.21237 1.1069 0.096 0.07573 0.4208 0.024 0.0016202 0.0092 0.8874 0.7493 3558937 ACon1_000379 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]1OC(=O)c5cc(O)c(O)c(O)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C20 compound treatment 0.088 0.076374 0.3981 -0.113 -0.13327 -0.7406 0.064 0.04162 0.2354 -0.0619 -0.0709 3552950 ACon1_000380 C[C@H]1[C@@H]2[C@H](OC(=O)C)C(=O)[C@@]3(C)[C@@H](CC[C@H]4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C)[C@@]2(C)C=CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C21 compound treatment -0.036 -0.047626 -0.2482 0.011 -0.00927 -0.0515 0.012 -0.01038 -0.0587 -0.207 -0.7953 3557766 ACon1_000381 CC1=C2C/C=C(\C)/C(C/C=C(\C)/CC2OC1=O)OC3OC(CO)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C22 compound treatment 0.174 0.16237 0.8463 0.333 0.31273 1.7379 0.084 0.06162 0.3485 1.6932 0.862 3559361 ACon1_000382 C[C@@H]([C@H]1CCC2C3CC=C4C[C@H](C[C@H](O)[C@]4(C)C3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6CC(=C(CO)C(=O)O6)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C23 compound treatment 0.271 0.25937 1.3519 0.494 0.47373 2.6326 0.613 0.59062 3.3401 4.2288 0.9476 3553616 ACon1_000383 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](O)[C@](O)(COC(=O)C)[C@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 C24 compound treatment 0.192 0.18037 0.9402 0.171 0.15073 0.8376 -0.037 -0.05938 -0.3358 0.8325 0.6388 3558764 ACon1_000384 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D01 compound treatment -0.075 -0.086626 -0.4515 0.059 0.03873 0.2152 0.196 0.17362 0.9819 0.4305 0.3906 3559335 ACon1_000385 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D02 compound treatment -0.112 -0.12363 -0.6444 -0.118 -0.13827 -0.7684 -0.044 -0.06638 -0.3754 -1.0324 -0.9642 3552117 ACon1_000386 C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@@]42CO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D03 compound treatment -0.079 -0.090626 -0.4724 -0.043 -0.06327 -0.3516 0.048 0.02562 0.1449 -0.3921 -0.6465 3554011 ACon1_000387 CC1CCC(=C(CC/C(=C\COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)/C)C1(C)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D04 compound treatment 0.064 0.052374 0.273 0.045 0.02473 0.1374 0.153 0.13062 0.7387 0.6634 0.8299 3559732 ACon1_000388 CC1=C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]3[C@H]1CC[C@@]3(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D05 compound treatment 0.117 0.10537 0.5492 0.169 0.14873 0.8265 0.123 0.10062 0.569 1.1228 0.9815 3558877 ACon1_000389 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO)\CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D06 compound treatment -0.025 -0.036626 -0.1909 0.006 -0.01427 -0.0793 0.123 0.10062 0.569 0.1725 0.285 1607 ACon1_000390 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D07 compound treatment 0.105 0.093374 0.4867 0.149 0.12873 0.7154 0.216 0.19362 1.095 1.3262 0.9503 3557737 ACon1_000391 CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D08 compound treatment 0.121 0.10937 0.5701 -0.012 -0.03227 -0.1793 0.066 0.04362 0.2467 0.368 0.5692 3614357 ACon1_000392 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D09 compound treatment 0.084 0.072374 0.3772 0.049 0.02873 0.1597 0.045 0.02262 0.1279 0.3838 0.8944 3559940 ACon1_000393 COc1cc(ccc1O)C2C(CO)C(CO)Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D10 compound treatment 0.18 0.16837 0.8776 0.071 0.05073 0.2819 0.191 0.16862 0.9536 1.22 0.9199 3557859 ACon1_000394 CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D11 mock treatment -0.011 -0.022626 -0.1179 0.182 0.16173 0.8988 0.203 0.18062 1.0214 1.0405 0.7619 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D12 mock treatment -0.023 -0.034626 -0.1805 -0.038 -0.05827 -0.3238 -0.034 -0.05638 -0.3188 -0.4752 -0.9719 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D13 compound treatment -0.026 -0.037626 -0.1961 0.025 0.00473 0.0263 0.07 0.04762 0.2693 0.0574 0.1719 3557863 ACon1_000395 CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D14 compound treatment -0.063 -0.074626 -0.389 0.25 0.22973 1.2766 -0.022 -0.04438 -0.251 0.3676 0.2707 3558515 ACon1_000396 C[C@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D15 mock treatment 0.179 0.16737 0.8724 0.023 0.00273 0.0152 0.155 0.13262 0.75 0.9454 0.8217 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D16 mock treatment 0.025 0.013374 0.0697 -0.062 -0.08227 -0.4572 0.131 0.10862 0.6143 0.1309 0.1703 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D17 compound treatment -0.067 -0.078626 -0.4098 -0.022 -0.04227 -0.2349 -0.049 -0.07138 -0.4037 -0.6053 -0.9741 3559665 ACon1_000397 CCC(C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D18 compound treatment 0.209 0.19737 1.0288 0.06 0.03973 0.2208 0.17 0.14762 0.8348 1.2034 0.896 3559379 ACon1_000398 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D19 compound treatment -0.014 -0.025626 -0.1336 0.006 -0.01427 -0.0793 -0.139 -0.16138 -0.9126 -0.6498 -0.7019 3559700 ACon1_000399 CO[C@@H]1C[C@@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D20 compound treatment 0.128 0.11637 0.6066 -0.042 -0.06227 -0.346 0.109 0.08662 0.4899 0.4332 0.5079 3552828 ACon1_000400 C[C@]12CC[C@H](C[C@H]2[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(=O)O)C(=O)C=C1)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D21 compound treatment 0.212 0.20037 1.0444 -0.03 -0.05027 -0.2794 0.143 0.12062 0.6821 0.8355 0.6536 3559727 ACon1_000401 COC(=O)CC(C)CC[C@H]1C(=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D22 compound treatment 0.06 0.048374 0.2521 0.218 0.19773 1.0988 0.05 0.02762 0.1562 0.8702 0.7645 3558274 ACon1_000402 C[C@@H]1C[C@@H](OC(=O)C)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC3=CC(=O)OC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D23 compound treatment -0.077 -0.088626 -0.4619 -0.096 -0.11627 -0.6461 -0.122 -0.14438 -0.8165 -1.1111 -0.9755 3553349 ACon1_000403 CC(=O)O[C@H]1CC(=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 D24 compound treatment 0.14 0.12837 0.6691 -0.012 -0.03227 -0.1793 0.116 0.09362 0.5294 0.5885 0.6749 3554883 ACon1_000404 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E01 mock treatment 0.081 0.069374 0.3616 -0.067 -0.08727 -0.485 0.102 0.07962 0.4503 0.1887 0.2503 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E02 mock treatment -0.22 -0.23163 -1.2073 -0.115 -0.13527 -0.7517 -0.269 -0.29138 -1.6478 -2.0824 -0.9567 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E03 compound treatment 0.045 0.033374 0.174 -0.061 -0.08127 -0.4516 0.06 0.03762 0.2127 -0.0375 -0.0709 3557985 ACon1_000405 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OCC3OC(Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E04 compound treatment 0.013 0.0013745 0.0072 -0.013 -0.03327 -0.1849 0.186 0.16362 0.9253 0.4316 0.4574 3557740 ACon1_000406 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H]2OC(=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E05 compound treatment -0.071 -0.082626 -0.4307 -0.044 -0.06427 -0.3572 0.171 0.14862 0.8405 0.0304 0.0301 3558077 ACon1_000407 O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E06 compound treatment 0.108 0.096374 0.5023 0.017 -0.00327 -0.0182 0.29 0.26762 1.5134 1.1533 0.7232 3558242 ACon1_000408 COc1cc2c(=O)c(coc2cc1O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E07 compound treatment -0.018 -0.029626 -0.1544 -0.123 -0.14327 -0.7962 0.052 0.02962 0.1675 -0.4521 -0.5459 1524104 ACon1_000409 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E08 compound treatment -0.109 -0.12063 -0.6287 -0.064 -0.08427 -0.4683 0.055 0.03262 0.1845 -0.5269 -0.6542 2060441 ACon1_000410 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E09 mock treatment 0.313 0.30137 1.5708 0.094 0.07373 0.4097 0.174 0.15162 0.8574 1.6385 0.8925 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E10 mock treatment 0.063 0.051374 0.2678 0.236 0.21573 1.1988 0.066 0.04362 0.2467 0.9892 0.7895 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E11 compound treatment 0.056 0.044374 0.2313 0.039 0.01873 0.1041 0.057 0.03462 0.1958 0.3067 0.9571 3614358 ACon1_000411 C[C@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E12 compound treatment 0.199 0.18737 0.9766 0.221 0.20073 1.1155 0.174 0.15162 0.8574 1.7029 0.9943 3553963 ACon1_000412 CC1CC(=O)C2=C(C1)C3OC3C4(O)C(O)c5c(O)cccc5C(=O)C24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E13 compound treatment 0.036 0.024374 0.127 -0.118 -0.13827 -0.7684 -0.019 -0.04138 -0.234 -0.5054 -0.6215 2565 ACon1_000413 COC1=CC(=O)OC1(O)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E14 compound treatment 0.248 0.23637 1.232 -0.214 -0.23427 -1.3019 0.08 0.05762 0.3259 0.1478 0.0811 3554186 ACon1_000414 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E15 compound treatment 0.082 0.070374 0.3668 -0.034 -0.05427 -0.3016 0.054 0.03162 0.1788 0.1409 0.2777 3614360 ACon1_000415 COC1CC(=O)C2(C3C(CC(C)C)NC2=O)C(C=C(C)C3C)/C=C(\C)/CCC(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E16 compound treatment 0.141 0.12937 0.6743 0.025 0.00473 0.0263 0.006 -0.01638 -0.0926 0.351 0.5153 3559688 ACon1_000416 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E17 mock treatment -0.038 -0.049626 -0.2587 0.025 0.00473 0.0263 -0.013 -0.03538 -0.2001 -0.2497 -0.7611 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E18 mock treatment -0.07 -0.081626 -0.4255 -0.225 -0.24527 -1.363 0.066 0.04362 0.2467 -0.8901 -0.6143 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E19 compound treatment -0.024 -0.035626 -0.1857 -0.043 -0.06327 -0.3516 0.497 0.47462 2.6841 1.2394 0.4568 3557588 ACon1_000417 CC(=CCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(CC=C(C)C)c1C(O)C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E20 compound treatment 0.324 0.31237 1.6282 0.0 -0.02027 -0.1126 -0.023 -0.04538 -0.2566 0.7268 0.4399 3557280 ACon1_000418 C[C@H]1CC/C=C(\C)/[C@@H](O)/C=C/[C@@](C)(O)\C=C\C(=O)O[C@@H]1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E21 compound treatment 0.258 0.24637 1.2842 0.192 0.17173 0.9543 -0.097 -0.11938 -0.6751 0.9026 0.5198 3557796 ACon1_000419 C/C(=C\CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C)/CC[C@H](O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E22 compound treatment -0.039 -0.050626 -0.2639 0.091 0.07073 0.3931 0.031 0.0086202 0.0487 0.1027 0.2159 3554684 ACon1_000420 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]3N(CCc4cc(O)c(O)cc34)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E23 compound treatment 0.122 0.11037 0.5753 0.047 0.02673 0.1485 0.195 0.17262 0.9762 0.9815 0.8589 3557854 ACon1_000421 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 E24 compound treatment 0.041 0.029374 0.1531 0.097 0.07673 0.4264 0.098 0.07562 0.4276 0.5815 0.9333 3559947 ACon1_000422 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C\c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F01 mock treatment 0.007 -0.0046255 -0.0241 -0.014 -0.03427 -0.1904 0.111 0.08862 0.5012 0.1655 0.3083 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F02 mock treatment -0.026 -0.037626 -0.1961 -0.013 -0.03327 -0.1849 -0.083 -0.10538 -0.5959 -0.564 -0.8624 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F03 compound treatment 0.091 0.079374 0.4137 -0.058 -0.07827 -0.435 0.126 0.10362 0.586 0.3261 0.3887 3558066 ACon1_000423 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F04 compound treatment 0.007 -0.0046255 -0.0241 0.014 -0.00627 -0.0348 -0.069 -0.09138 -0.5168 -0.3324 -0.6411 3559407 ACon1_000424 CC1=C2CC([C@@H](O)CC2(C)CCC1)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F05 compound treatment 0.012 3.7448E-4 0.002 -0.1 -0.12027 -0.6684 0.148 0.12562 0.7104 0.0254 0.026 3559280 ACon1_000425 COc1cc(cc(OC)c1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F06 compound treatment -0.029 -0.040626 -0.2117 -0.024 -0.04427 -0.246 -0.02 -0.04238 -0.2397 -0.4027 -0.998 3555180 ACon1_000426 COc1ccc(CCc2cc(OC)cc(=O)o2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F07 compound treatment 0.354 0.34237 1.7845 0.029 0.00873 0.0485 0.737 0.71462 4.0413 3.3916 0.7677 3559863 ACon1_000427 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4=NCCc5cc(OC)c(OC)cc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F08 compound treatment -0.058 -0.069626 -0.3629 -0.042 -0.06227 -0.346 0.094 0.07162 0.405 -0.1755 -0.2722 3553794 ACon1_000428 CC[C@H](C)/C=C(\C)/C=C/C(=O)Cc1cc(O)c(C)c(O)c1C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F09 mock treatment 0.112 0.10037 0.5232 0.08 0.05973 0.3319 -0.135 -0.15738 -0.89 -0.0202 -0.0186 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F10 mock treatment -0.031 -0.042626 -0.2222 0.045 0.02473 0.1374 0.0 -0.02238 -0.1266 -0.122 -0.4203 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F11 compound treatment 0.144 0.13237 0.69 0.032 0.01173 0.0652 -0.037 -0.05938 -0.3358 0.2421 0.3144 3554484 ACon1_000429 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4cccc(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F12 compound treatment 0.032 0.020374 0.1062 0.101 0.08073 0.4486 0.131 0.10862 0.6143 0.675 0.8788 3557861 ACon1_000430 CC(=CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F13 compound treatment -0.007 -0.018626 -0.0971 0.05 0.02973 0.1652 0.076 0.05362 0.3032 0.2144 0.5977 2060491 ACon1_000431 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F14 compound treatment 0.02 0.0083745 0.0436 -0.032 -0.05227 -0.2905 0.213 0.19062 1.078 0.4799 0.4295 3552813 ACon1_000432 C[C@@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F15 compound treatment -0.072 -0.083626 -0.4359 -0.042 -0.06227 -0.346 0.045 0.02262 0.1279 -0.3776 -0.6612 3553624 ACon1_000433 CC(C)CC(=O)O[C@H]1C(CC2O[C@]2(C)C1=O)C(=C)C(=O)/C=C/C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F16 compound treatment 0.034 0.022374 0.1166 0.068 0.04773 0.2652 -0.037 -0.05938 -0.3358 0.0266 0.06 3557942 ACon1_000434 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F17 mock treatment 0.063 0.051374 0.2678 -0.11 -0.13027 -0.7239 0.006 -0.01638 -0.0926 -0.3168 -0.4076 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F18 mock treatment -0.112 -0.12363 -0.6444 -0.168 -0.18827 -1.0462 0.02 -0.0023798 -0.0135 -0.9838 -0.8006 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F19 compound treatment -0.153 -0.16463 -0.8581 0.145 0.12473 0.6931 0.038 0.01562 0.0883 -0.0442 -0.04 3559629 ACon1_000435 C/C=C(/C)\C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@@H](OC(=O)/C(=C\C)/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F20 compound treatment 0.134 0.12237 0.6378 0.012 -0.00827 -0.046 0.0 -0.02238 -0.1266 0.2687 0.4121 3554672 ACon1_000436 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F21 compound treatment 0.062 0.050374 0.2626 0.15 0.12973 0.7209 -0.093 -0.11538 -0.6525 0.1911 0.1897 3559533 ACon1_000437 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F22 compound treatment -0.035 -0.046626 -0.243 0.093 0.07273 0.4042 -0.201 -0.22338 -1.2633 -0.6363 -0.4719 3558196 ACon1_000438 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F23 compound treatment -0.007 -0.018626 -0.0971 0.08 0.05973 0.3319 0.058 0.03562 0.2014 0.2519 0.6294 3559742 ACon1_000439 C/C=C(/C)\C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)\C(=C\CO)\C)[C@H]1C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 F24 compound treatment 0.092 0.080374 0.4189 0.1 0.07973 0.4431 0.043 0.02062 0.1166 0.565 0.9101 1003829 ACon1_000440 CCCCCCC(O)CC=CCCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G01 compound treatment 0.084 0.072374 0.3772 0.088 0.06773 0.3764 0.201 0.17862 1.0101 1.0183 0.8916 3557821 ACon1_000441 OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G02 compound treatment 0.026 0.014374 0.0749 -0.02 -0.04027 -0.2238 0.113 0.09062 0.5125 0.2099 0.3721 1119359 ACon1_000442 COc1cc2ccc(=O)oc2c(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G03 mock treatment 0.018 0.0063745 0.0332 0.012 -0.00827 -0.046 0.0 -0.02238 -0.1266 -0.0804 -0.5799 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G04 mock treatment -0.069 -0.080626 -0.4202 0.041 0.02073 0.1152 -0.127 -0.14938 -0.8448 -0.6638 -0.6984 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G05 compound treatment 0.067 0.055374 0.2886 -0.064 -0.08427 -0.4683 -0.012 -0.03438 -0.1944 -0.216 -0.3702 3557908 ACon1_000443 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G06 compound treatment 0.012 3.7448E-4 0.002 0.012 -0.00827 -0.046 0.167 0.14462 0.8179 0.4468 0.5454 3552802 ACon1_000444 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G07 compound treatment 0.485 0.47337 2.4673 0.444 0.42373 2.3547 0.448 0.42562 2.407 4.1737 0.9998 3558163 ACon1_000445 CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC3OC(CO)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G08 compound treatment 0.006 -0.0056255 -0.0293 -0.069 -0.08927 -0.4961 0.132 0.10962 0.6199 0.0546 0.0687 3614356 ACon1_000446 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G09 compound treatment 0.095 0.083374 0.4346 -0.012 -0.03227 -0.1793 0.099 0.07662 0.4333 0.3975 0.6218 1658516 ACon1_000447 CC(C)(O)C(O)COc1c2ccoc2cc3oc(=O)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G10 compound treatment 0.162 0.15037 0.7838 0.279 0.25873 1.4378 0.151 0.12862 0.7274 1.7026 0.9502 3614362 ACon1_000448 CC(=CCC/C(=C/CCC1(C)Oc2c3CN(C(CCC(=O)O)C(=O)O)C(=O)c3cc(O)c2CC1O)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G11 compound treatment -0.016 -0.027626 -0.144 0.304 0.28373 1.5767 0.305 0.28262 1.5983 1.75 0.7779 3553707 ACon1_000449 CC(CCC1C(C)(O)C(=O)C=C2C(C)(C)CCCC12C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G12 compound treatment 0.045 0.033374 0.174 0.105 0.08473 0.4709 0.199 0.17662 0.9988 0.949 0.8489 3554773 ACon1_000450 COc1c(O)ccc2oc3c(OC)c4OC5(C)CCCC(O5)c4c(O)c3c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G13 compound treatment -0.054 -0.065626 -0.3421 -0.013 -0.03327 -0.1849 -0.027 -0.04938 -0.2793 -0.4655 -0.9723 3553974 ACon1_000451 CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G14 compound treatment 0.02 0.0083745 0.0436 0.048 0.02773 0.1541 -0.041 -0.06338 -0.3584 -0.0928 -0.2363 3555129 ACon1_000452 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G15 compound treatment -0.035 -0.046626 -0.243 0.152 0.13173 0.732 0.079 0.05662 0.3202 0.4672 0.5594 3557302 ACon1_000453 CC(=O)NCCc1ccc(O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G16 compound treatment -0.115 -0.12663 -0.66 0.252 0.23173 1.2878 0.435 0.41262 2.3334 1.7097 0.6227 3559689 ACon1_000454 CO[C@H]1C[C@@H]2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G17 compound treatment 0.109 0.097374 0.5075 0.024 0.00373 0.0207 0.036 0.01362 0.077 0.3495 0.6802 3557386 ACon1_000455 CC1CCCC2OC2C(=O)c3c(O)cc(O)cc3CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G18 compound treatment 0.033 0.021374 0.1114 0.088 0.06773 0.3764 0.159 0.13662 0.7726 0.7277 0.8397 3553155 ACon1_000456 C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@H]2O)c3ccc4C(=O)C5=C(C=C[C@]6(O)C[C@@](C)(O)CC(=O)[C@]56O)C(=O)c4c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G19 mock treatment 0.138 0.12637 0.6587 -0.013 -0.03327 -0.1849 0.294 0.27162 1.5361 1.1604 0.6901 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G20 mock treatment -0.072 -0.083626 -0.4359 -0.024 -0.04427 -0.246 0.019 -0.0033798 -0.0191 -0.4047 -0.808 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G21 compound treatment 0.243 0.23137 1.206 0.28 0.25973 1.4434 0.194 0.17162 0.9705 2.0899 0.9874 3554304 ACon1_000457 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G22 compound treatment -0.155 -0.16663 -0.8685 0.132 0.11173 0.6209 0.028 0.0056202 0.0318 -0.1246 -0.1167 1059159 ACon1_000458 COC(=O)C1=COC(C)C2CN3CCC4(C3CC21)C(=O)Nc5ccccc54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G23 compound treatment -0.011 -0.022626 -0.1179 0.169 0.14873 0.8265 0.096 0.07362 0.4163 0.6495 0.6962 3557966 ACon1_000459 CC(=CCc1c(O)ccc2c(=O)c(coc12)c3ccc(O)cc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 G24 compound treatment 0.107 0.095374 0.4971 0.078 0.05773 0.3208 0.141 0.11862 0.6708 0.8595 0.961 3554685 ACon1_000460 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)C[C@]3(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H01 compound treatment 0.066 0.054374 0.2834 0.03 0.00973 0.0541 0.121 0.09862 0.5577 0.5168 0.8231 3559300 ACon1_000461 C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H02 compound treatment 0.098 0.086374 0.4502 0.018 -0.00227 -0.0126 0.0 -0.02238 -0.1266 0.1796 0.3838 3559819 ACon1_000462 C/C=C(\C)/C(=O)O[C@@H]1C[C@@](C)(O)C(=O)C[C@@H](O)\C(=C\[C@H]2OC(=O)C(=C)[C@@H]21)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H03 mock treatment 0.019 0.0073745 0.0384 -0.216 -0.23627 -1.313 -0.019 -0.04138 -0.234 -0.871 -0.6528 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H04 mock treatment 0.133 0.12137 0.6326 0.018 -0.00227 -0.0126 0.062 0.03962 0.2241 0.4873 0.726 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H05 compound treatment 0.037 0.025374 0.1323 -0.024 -0.04427 -0.246 0.079 0.05662 0.3202 0.1192 0.2805 3557937 ACon1_000463 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H06 compound treatment 0.239 0.22737 1.1851 0.091 0.07073 0.3931 0.131 0.10862 0.6143 1.2658 0.9097 3559369 ACon1_000464 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H07 compound treatment -0.155 -0.16663 -0.8685 -0.193 -0.21327 -1.1852 -0.234 -0.25638 -1.4499 -2.0228 -0.9799 3059949 ACon1_000465 CC(=O)NCCc1c[nH]c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H08 compound treatment 0.175 0.16337 0.8515 0.024 0.00373 0.0207 0.023 6.2023E-4 0.0035 0.5056 0.5936 3553802 ACon1_000466 CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H09 compound treatment 0.094 0.082374 0.4294 -0.138 -0.15827 -0.8795 0.018 -0.0043798 -0.0248 -0.2742 -0.2801 3553991 ACon1_000467 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H10 compound treatment 0.13 0.11837 0.617 0.299 0.27873 1.5489 0.327 0.30462 1.7227 2.2451 0.9365 3557512 ACon1_000468 COc1cc(cc(OC)c1O)C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H11 compound treatment 0.017 0.0053745 0.028 -0.046 -0.06627 -0.3683 0.012 -0.01038 -0.0587 -0.2303 -0.6159 3557927 ACon1_000469 CCC/C=C/1\OC(=O)C2=C1CCC(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H12 compound treatment 0.094 0.082374 0.4294 -0.018 -0.03827 -0.2127 0.073 0.05062 0.2863 0.2904 0.5203 3558562 ACon1_000470 COc1cc2ccc(=O)oc2cc1OCC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H13 compound treatment 0.149 0.13737 0.716 0.126 0.10573 0.5876 -0.055 -0.07738 -0.4376 0.5 0.4881 3554565 ACon1_000471 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@H]3[C@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@H]4CC[C@@]31C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H14 compound treatment 0.013 0.0013745 0.0072 0.03 0.00973 0.0541 -0.093 -0.11538 -0.6525 -0.3414 -0.5213 3558607 ACon1_000472 COc1c2CC(Oc2cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H15 compound treatment 0.013 0.0013745 0.0072 0.116 0.09573 0.532 0.27 0.24762 1.4003 1.1198 0.7475 3555928 ACon1_000473 Oc1cc2O/C(=C\c3cc(O)c(O)c(O)c3)/C(=O)c2c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H16 compound treatment 0.0 -0.011626 -0.0606 -0.098 -0.11827 -0.6572 -0.029 -0.05138 -0.2906 -0.5822 -0.8073 3554273 ACon1_000474 CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H17 compound treatment 0.033 0.021374 0.1114 -0.239 -0.25927 -1.4408 -0.176 -0.19838 -1.1219 -1.4152 -0.7736 3554214 ACon1_000475 CCCC#CC#CCCCCCCCCCCC(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H18 compound treatment 0.137 0.12537 0.6535 0.031 0.01073 0.0596 0.201 0.17862 1.0101 0.9949 0.826 3554824 ACon1_000476 COc1cc(=O)oc(c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H19 mock treatment 0.158 0.14637 0.7629 -0.089 -0.10927 -0.6072 -0.071 -0.09338 -0.5281 -0.215 -0.1939 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H20 mock treatment -0.055 -0.066626 -0.3473 0.144 0.12373 0.6876 0.0 -0.02238 -0.1266 0.1234 0.1581 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H21 compound treatment -0.006 -0.017626 -0.0919 0.067 0.04673 0.2597 -0.125 -0.14738 -0.8335 -0.3843 -0.4378 3559440 ACon1_000477 COc1c(OC)c2c(C)cccc2oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H22 compound treatment 0.129 0.11737 0.6118 0.363 0.34273 1.9046 0.5 0.47762 2.701 3.0123 0.8962 3553645 ACon1_000478 CC(C)CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(O)C(O)/C=C/C2=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H23 compound treatment 0.216 0.20437 1.0652 0.246 0.22573 1.2544 0.313 0.29062 1.6435 2.2881 0.9838 3553179 ACon1_000479 CC(=C)C(=O)O[C@H]1CC(=C)C2C[C@H](O)[C@](O)(CO)C2[C@H]3OC(=O)C(=C)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 H24 compound treatment 0.006 -0.0056255 -0.0293 0.089 0.06873 0.3819 0.097 0.07462 0.422 0.4472 0.7847 3558419 ACon1_000480 CC(=O)O[C@H]1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I01 compound treatment 0.123 0.11137 0.5805 0.067 0.04673 0.2597 0.151 0.12862 0.7274 0.905 0.9367 3557823 ACon1_000481 OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I02 compound treatment 1.068 1.0564 5.3323 0.326 0.30573 1.699 0.877 0.85462 4.833 6.8498 0.9264 3558086 ACon1_000482 CC1(C)OC2(C)CCC1CC2OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I03 compound treatment 0.11 0.098374 0.5128 0.065 0.04473 0.2486 0.028 0.0056202 0.0318 0.4579 0.8023 3557594 ACon1_000483 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I04 compound treatment 0.037 0.025374 0.1323 0.024 0.00373 0.0207 0.135 0.11262 0.6369 0.456 0.7007 3554871 ACon1_000484 COc1cc(cc2OCOc21)[C@H](OC(=O)/C(=C\C)/C)[C@@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)/C(=C\C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I05 mock treatment -0.093 -0.10463 -0.5453 -0.062 -0.08227 -0.4572 -0.042 -0.06438 -0.3641 -0.789 -0.9871 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I06 mock treatment -0.107 -0.11863 -0.6183 -0.04 -0.06027 -0.3349 -0.049 -0.07138 -0.4037 -0.7834 -0.9662 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I07 compound treatment 0.053 0.041374 0.2157 0.105 0.08473 0.4709 0.282 0.25962 1.4682 1.244 0.7991 3554216 ACon1_000485 CCCC(=O)O[C@@H]1C[C@@](C)(OC(=O)C)C2C[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@@]31O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I08 compound treatment 0.047 0.035374 0.1844 -0.059 -0.07927 -0.4405 0.089 0.06662 0.3767 0.0696 0.1145 3558194 ACon1_000486 CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I09 compound treatment 0.058 0.046374 0.2417 0.147 0.12673 0.7043 0.098 0.07562 0.4276 0.7931 0.9236 3553540 ACon1_000487 CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I10 compound treatment -0.045 -0.056626 -0.2951 0.006 -0.01427 -0.0793 0.018 -0.0043798 -0.0248 -0.2305 -0.7517 3552799 ACon1_000488 C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I11 compound treatment 0.089 0.077374 0.4033 0.053 0.03273 0.1819 0.076 0.05362 0.3032 0.5129 0.9563 3553147 ACon1_000489 C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(=C3C[C@]12C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I12 compound treatment -0.161 -0.17263 -0.8998 -0.068 -0.08827 -0.4905 -0.106 -0.12838 -0.726 -1.2219 -0.9729 3554781 ACon1_000490 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C(C(C)(C)O)C(C)(CCC(=O)O)C4Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I13 compound treatment 0.053 0.041374 0.2157 0.067 0.04673 0.2597 0.068 0.04562 0.258 0.4234 0.9965 3559698 ACon1_000491 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]3[C@@H](/C=C(\C)/C2=O)C3(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I14 compound treatment 0.077 0.065374 0.3407 0.11 0.08973 0.4986 0.248 0.22562 1.2759 1.2213 0.8651 3614364 ACon1_000492 CC1OC(=O)C23C(=C)C4(C)OC(=O)C31OC4C5=C(CO)C6(CCC52C)C(O)CC(=O)OC6(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I15 compound treatment 0.02 0.0083745 0.0436 -0.096 -0.11627 -0.6461 0.072 0.04962 0.2806 -0.1858 -0.2633 3553199 ACon1_000493 CC(=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I16 compound treatment -0.069 -0.080626 -0.4202 0.013 -0.00727 -0.0404 0.016 -0.0063798 -0.0361 -0.2868 -0.6768 3185114 ACon1_000494 CC[C@]1(C=CCN2CC[C@]3([C@H]4N(C)c5cc(OC)ccc53)[C@@H]21)[C@@H](OC(=O)C)[C@]4(O)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I17 compound treatment 0.055 0.043374 0.2261 -0.057 -0.07727 -0.4294 -0.023 -0.04538 -0.2566 -0.2656 -0.4837 3559677 ACon1_000495 C/C(=C\C(=O)O)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I18 compound treatment 0.025 0.013374 0.0697 0.096 0.07573 0.4208 0.217 0.19462 1.1006 0.9187 0.7783 804 ACon1_000496 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I19 compound treatment 0.044 0.032374 0.1687 -0.053 -0.07327 -0.4072 0.182 0.15962 0.9027 0.3835 0.3818 3557626 ACon1_000497 COc1ccc(CCC(=O)O)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I20 compound treatment -0.007 -0.018626 -0.0971 -0.144 -0.16427 -0.9129 0.08 0.05762 0.3259 -0.395 -0.4055 3557415 ACon1_000498 COC(=O)C[C@@H]1C[C@@H](C)C2C([C@@H]1O)C(=O)c3c(O)c4C5CC(O)C(O)(C(C)O5)c4c(O)c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I21 mock treatment 0.065 0.053374 0.2782 0.006 -0.01427 -0.0793 0.007 -0.01538 -0.087 0.0646 0.2139 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I22 mock treatment -0.059 -0.070626 -0.3681 0.0 -0.02027 -0.1126 -0.164 -0.18638 -1.054 -0.8861 -0.7897 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I23 compound treatment 0.09 0.078374 0.4085 0.098 0.07773 0.432 0.074 0.05162 0.2919 0.6538 0.9871 3557848 ACon1_000499 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 I24 compound treatment 0.079 0.067374 0.3512 -0.04 -0.06027 -0.3349 0.06 0.03762 0.2127 0.1322 0.2495 3557958 ACon1_000500 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CCC3(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J01 compound treatment 0.105 0.093374 0.4867 0.078 0.05773 0.3208 -0.164 -0.18638 -1.054 -0.1423 -0.1182 3554282 ACon1_000501 CCCCCCC(O)CCCCCC/C=C/[C@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](N)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J02 compound treatment 0.014 0.0023745 0.0124 -0.162 -0.18227 -1.0129 0.125 0.10262 0.5803 -0.2426 -0.2078 831700 ACon1_000502 CC(O)(CC(=O)O)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J03 compound treatment -0.072 -0.083626 -0.4359 -0.041 -0.06127 -0.3405 0.05 0.02762 0.1562 -0.3581 -0.623 3559146 ACon1_000503 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J04 compound treatment 0.188 0.17637 0.9193 0.092 0.07173 0.3986 0.049 0.02662 0.1505 0.8478 0.8367 3559332 ACon1_000504 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J05 mock treatment -0.031 -0.042626 -0.2222 -0.059 -0.07927 -0.4405 -0.006 -0.02838 -0.1605 -0.4753 -0.9161 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J06 mock treatment 0.012 3.7448E-4 0.002 -0.158 -0.17827 -0.9907 1.17 1.1476 6.0018 2.8943 0.4758 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J07 compound treatment -0.149 -0.16063 -0.8372 0.102 0.08173 0.4542 0.046 0.02362 0.1336 -0.144 -0.1497 3559937 ACon1_000505 C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)C[C@@H]67)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J08 compound treatment 0.058 0.046374 0.2417 -0.04 -0.06027 -0.3349 0.244 0.22162 1.2533 0.6698 0.5076 3558531 ACon1_000506 O[C@H]1[C@@H](C[C@](C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O)OC(=O)/C=C/c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J09 compound treatment -0.013 -0.024626 -0.1284 0.039 0.01873 0.1041 -0.032 -0.05438 -0.3075 -0.1916 -0.5487 2060122 ACon1_000507 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J10 compound treatment -0.123 -0.13463 -0.7017 -0.106 -0.12627 -0.7017 0.092 0.06962 0.3937 -0.5829 -0.546 3558561 ACon1_000508 COc1cc2ccc(=O)oc2cc1OCC3OC3(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J11 compound treatment 0.038 0.026374 0.1375 -0.046 -0.06627 -0.3683 -0.057 -0.07938 -0.4489 -0.3924 -0.6577 3552721 ACon1_000509 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J12 compound treatment 0.006 -0.0056255 -0.0293 0.006 -0.01427 -0.0793 0.104 0.08162 0.4616 0.2038 0.4343 3555910 ACon1_000510 OC[C@H]1O[C@@H](Oc2cccc3cc4COC(=O)c4c(O)c23)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J13 compound treatment -0.035 -0.046626 -0.243 0.014 -0.00627 -0.0348 0.021 -0.0013798 -0.0078 -0.1649 -0.6715 154 ACon1_000511 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@@]32CC[C@]4(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J14 compound treatment 0.022 0.010374 0.0541 -0.014 -0.03427 -0.1904 -0.014 -0.03638 -0.2057 -0.1975 -0.6918 3554559 ACon1_000512 COC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=C)C[C@]3(O)[C@@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@@]23C)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J15 compound treatment -0.026 -0.037626 -0.1961 -0.034 -0.05427 -0.3016 0.048 0.02562 0.1449 -0.2037 -0.5252 1038770 ACon1_000513 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J16 compound treatment -0.006 -0.017626 -0.0919 0.067 0.04673 0.2597 0.058 0.03562 0.2014 0.2132 0.6247 3558004 ACon1_000514 OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(COC(=O)/C=C/c4ccccc4)[C@H]32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J17 compound treatment -0.032 -0.043626 -0.2274 -0.117 -0.13727 -0.7628 0.263 0.24062 1.3608 0.2139 0.1357 3552617 ACon1_000515 C[C@@H]1[C@@H](C[C@]23COC(=O)C3=CCC[C@@H]2[C@@]1(C)CC(OC(=O)C)c4ccoc4)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J18 compound treatment -0.069 -0.080626 -0.4202 0.229 0.20873 1.1599 -0.083 -0.10538 -0.5959 0.083 0.0606 1062454 ACon1_000516 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J19 compound treatment 0.126 0.11437 0.5961 -0.095 -0.11527 -0.6406 0.11 0.08762 0.4955 0.2604 0.259 3559776 ACon1_000517 CCOC(=O)C1C(=O)C(=O)Nc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J20 compound treatment -0.061 -0.072626 -0.3785 -0.105 -0.12527 -0.6961 -0.07 -0.09238 -0.5224 -0.9221 -0.9715 3554280 ACon1_000518 CCCCCCC(C)C/C(=C\C(CO)\C=C(/C)\C=C\C(O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J21 mock treatment -0.013 -0.024626 -0.1284 0.056 0.03573 0.1986 0.109 0.08662 0.4899 0.3233 0.5945 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J22 mock treatment -0.081 -0.092626 -0.4828 -0.023 -0.04327 -0.2405 0.074 0.05162 0.2919 -0.249 -0.406 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J23 compound treatment -0.109 -0.12063 -0.6287 0.099 0.07873 0.4375 -0.045 -0.06738 -0.381 -0.3304 -0.3862 3554751 ACon1_000519 COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 J24 compound treatment -0.102 -0.11363 -0.5922 0.156 0.13573 0.7543 -0.022 -0.04438 -0.251 -0.0514 -0.0518 3558337 ACon1_000520 O[C@@H]1C=C(C[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K01 compound treatment 0.077 0.065374 0.3407 -0.036 -0.05627 -0.3127 0.068 0.04562 0.258 0.1651 0.3118 3557834 ACon1_000521 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K02 compound treatment 0.064 0.052374 0.273 -0.017 -0.03727 -0.2071 0.142 0.11962 0.6765 0.4286 0.5652 3558087 ACon1_000522 OCC1OC(Oc2cc(O)c(C(=O)O)c(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K03 compound treatment -0.023 -0.034626 -0.1805 0.067 0.04673 0.2597 -0.179 -0.20138 -1.1388 -0.6118 -0.5176 3558017 ACon1_000523 COc1cc(O)c2c(=O)c(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)C(O)C3O)c(oc2c1)c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K04 compound treatment 0.04 0.028374 0.1479 0.221 0.20073 1.1155 0.285 0.26262 1.4852 1.5869 0.8516 3554289 ACon1_000524 CCCCCCCC(=O)O[C@H]1[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@@H](C[C@@](C)(OC(=O)C)[C@H]12)OC(=O)C(C)CC)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K05 compound treatment 0.046 0.034374 0.1792 -0.166 -0.18627 -1.0351 0.035 0.01262 0.0714 -0.453 -0.4302 3558061 ACon1_000525 CC1CC(O)C2C(OC(=O)C2=C)C3=C(C)C(=O)CC13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K06 compound treatment -0.055 -0.066626 -0.3473 0.047 0.02673 0.1485 0.087 0.06462 0.3654 0.0963 0.1831 3555625 ACon1_000526 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc3ccc(O)cc3COC(=O)C4(O)C=CCCC4=O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K07 mock treatment -0.012 -0.023626 -0.1231 0.037 0.01673 0.093 0.505 0.48262 2.7293 1.5583 0.5701 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K08 mock treatment -0.067 -0.078626 -0.4098 -0.114 -0.13427 -0.7462 -0.223 -0.24538 -1.3877 -1.4686 -0.9021 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K09 compound treatment 0.093 0.081374 0.4241 0.18 0.15973 0.8876 0.102 0.07962 0.4503 1.0173 0.9403 3559841 ACon1_000527 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](COC(=O)C)[C@@H](O)[C@@H](O)[C@H]5O)c(O)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K10 compound treatment 0.04 0.028374 0.1479 0.122 0.10173 0.5653 -0.026 -0.04838 -0.2736 0.2538 0.3934 3554769 ACon1_000528 COc1c(O)cc2C(O)C(C)OC(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K11 compound treatment 0.11 0.098374 0.5128 -0.023 -0.04327 -0.2405 -0.013 -0.03538 -0.2001 0.0417 0.0694 3557888 ACon1_000529 OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K12 compound treatment -0.006 -0.017626 -0.0919 0.053 0.03273 0.1819 0.128 0.10562 0.5973 0.3968 0.6288 3614365 ACon1_000530 CC1(CO)CCCC2(C)C1C(=O)CC3=C2COC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K13 compound treatment 0.056 0.044374 0.2313 0.041 0.02073 0.1152 0.1 0.07762 0.439 0.4535 0.8903 3559595 ACon1_000531 C/C/1=C\CC[C@@]2(C)O[C@@H]2C[C@H]3[C@H](C1)OC(=O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K14 compound treatment 0.033 0.021374 0.1114 0.089 0.06873 0.3819 0.026 0.0036202 0.0205 0.2967 0.7446 3557305 ACon1_000532 COc1cc(O)cc(C(=O)O)c1Oc2cc(C)cc(O)c2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K15 mock treatment 0.025 0.013374 0.0697 -0.027 -0.04727 -0.2627 0.073 0.05062 0.2863 0.0539 0.1365 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K16 mock treatment -0.027 -0.038626 -0.2013 0.013 -0.00727 -0.0404 0.078 0.05562 0.3145 0.042 0.1119 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K17 compound treatment -0.09 -0.10163 -0.5297 -0.049 -0.06927 -0.3849 0.013 -0.0093798 -0.053 -0.5587 -0.8504 3614366 ACon1_000533 CC(C)CC1NC(=O)C(C)NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K18 compound treatment 0.091 0.079374 0.4137 -0.012 -0.03227 -0.1793 0.043 0.02062 0.1166 0.2026 0.4351 3559135 ACon1_000534 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K19 compound treatment 0.042 0.030374 0.1583 -0.089 -0.10927 -0.6072 0.0 -0.02238 -0.1266 -0.3323 -0.519 3557598 ACon1_000535 COc1c(O)cc2oc(c(OC)c(=O)c2c1O)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K20 compound treatment -0.161 -0.17263 -0.8998 -0.077 -0.09727 -0.5405 0.216 0.19362 1.095 -0.1994 -0.1315 3558949 ACon1_000536 C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K21 compound treatment 0.16 0.14837 0.7734 -0.019 -0.03927 -0.2182 0.031 0.0086202 0.0487 0.3487 0.4331 3552947 ACon1_000537 C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K22 compound treatment -0.006 -0.017626 -0.0919 -0.054 -0.07427 -0.4127 -0.025 -0.04738 -0.2679 -0.446 -0.891 1092498 ACon1_000538 OCC(O)c1nc(CO)cc2c3ccccc3[nH]c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K23 mock treatment -0.067 -0.078626 -0.4098 -0.006 -0.02627 -0.146 0.192 0.16962 0.9592 0.2329 0.2211 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 K24 mock treatment -0.025 -0.036626 -0.1909 0.058 0.03773 0.2097 0.053 0.03062 0.1732 0.1108 0.3335 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L01 compound treatment 0.007 -0.0046255 -0.0241 0.026 0.00573 0.0318 -0.147 -0.16938 -0.9579 -0.5486 -0.5722 3554760 ACon1_000539 COc1c(CO)c(O)cc2C(O)CCC(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L02 compound treatment -0.083 -0.094626 -0.4932 -0.038 -0.05827 -0.3238 -0.006 -0.02838 -0.1605 -0.5644 -0.923 3559718 ACon1_000540 C[C@H]1C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@H](O)[C@H](C[C@]12C)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L03 compound treatment -0.144 -0.15563 -0.8112 -0.072 -0.09227 -0.5128 0.091 0.06862 0.3881 -0.5403 -0.522 3558002 ACon1_000541 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L04 compound treatment 1.673 1.6614 6.5629 1.949 1.9287 7.3979 1.955 1.9326 7.529 12.4071 0.9982 3559482 ACon1_000542 C/C=C(\C)/C(=O)O[C@@H]1C\C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)\C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L05 compound treatment -0.054 -0.065626 -0.3421 0.053 0.03273 0.1819 -0.007 -0.02938 -0.1661 -0.1884 -0.4469 592 ACon1_000543 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L06 compound treatment 0.067 0.055374 0.2886 0.083 0.06273 0.3486 -0.135 -0.15738 -0.89 -0.1459 -0.1462 3614367 ACon1_000544 C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L07 mock treatment -0.061 -0.072626 -0.3785 -0.145 -0.16527 -0.9184 -0.094 -0.11638 -0.6581 -1.1288 -0.9473 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L08 mock treatment 0.039 0.027374 0.1427 0.063 0.04273 0.2375 0.064 0.04162 0.2354 0.3554 0.9776 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L09 compound treatment 0.042 0.030374 0.1583 0.046 0.02573 0.143 0.026 0.0036202 0.0205 0.1858 0.8669 1024930 ACon1_000545 COc1c2C=CC(C)(C)Oc2cc3oc(=O)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L10 compound treatment 0.141 0.12937 0.6743 0.036 0.01573 0.0874 0.026 0.0036202 0.0205 0.4516 0.6639 3558539 ACon1_000546 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L11 compound treatment 0.152 0.14037 0.7317 0.034 0.01373 0.0763 0.224 0.20162 1.1402 1.1248 0.8289 3557749 ACon1_000547 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L12 compound treatment -0.039 -0.050626 -0.2639 0.06 0.03973 0.2208 0.007 -0.01538 -0.087 -0.0751 -0.2116 3555408 ACon1_000548 CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L13 compound treatment -0.083 -0.094626 -0.4932 0.0 -0.02027 -0.1126 -0.046 -0.06838 -0.3867 -0.5731 -0.8999 1010501 ACon1_000549 Cn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L14 compound treatment 0.162 0.15037 0.7838 -0.031 -0.05127 -0.2849 0.071 0.04862 0.275 0.4468 0.5088 3558008 ACon1_000550 COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(=O)O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L15 mock treatment -0.098 -0.10963 -0.5714 0.013 -0.00727 -0.0404 -0.079 -0.10138 -0.5733 -0.6842 -0.8443 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L16 mock treatment 0.322 0.31037 1.6177 0.446 0.42573 2.3659 0.545 0.52262 2.9555 4.0063 0.9731 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L17 compound treatment 0.14 0.12837 0.6691 -0.065 -0.08527 -0.4739 0.085 0.06262 0.3541 0.3172 0.3551 2060138 ACon1_000551 C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L18 compound treatment 0.146 0.13437 0.7004 0.105 0.08473 0.4709 0.098 0.07562 0.4276 0.9231 0.9757 3558019 ACon1_000552 CC1C2CC3C(CCC(=O)C)C3(C)CC2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L19 compound treatment -0.129 -0.14063 -0.733 0.242 0.22173 1.2322 0.104 0.08162 0.4616 0.5547 0.3683 3559721 ACon1_000553 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(C)OC2[C@H]3OC(=O)C(=C)C31)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L20 compound treatment -0.172 -0.18363 -0.9571 0.135 0.11473 0.6376 0.336 0.31362 1.7736 0.8395 0.3972 3558114 ACon1_000554 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L21 compound treatment -0.04 -0.051626 -0.2691 -0.011 -0.03127 -0.1738 0.091 0.06862 0.3881 -0.0316 -0.0629 3553337 ACon1_000555 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)[C@@H](CC3[C@H](OC(=O)C3=C)[C@H]2C1=C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L22 compound treatment 0.106 0.094374 0.4919 0.094 0.07373 0.4097 0.007 -0.01538 -0.087 0.4703 0.728 3558119 ACon1_000556 COc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L23 mock treatment -0.089 -0.10063 -0.5245 0.133 0.11273 0.6265 0.158 0.13562 0.767 0.5017 0.4477 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 L24 mock treatment 0.071 0.059374 0.3095 -0.034 -0.05427 -0.3016 -0.019 -0.04138 -0.234 -0.1306 -0.2657 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M01 compound treatment -0.029 -0.040626 -0.2117 0.027 0.00673 0.0374 0.033 0.01062 0.0601 -0.066 -0.2956 3557875 ACon1_000557 CC(CCc1ccc(O)cc1)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M02 compound treatment 0.283 0.27137 1.4145 0.027 0.00673 0.0374 0.058 0.03562 0.2014 0.9545 0.6679 3558144 ACon1_000558 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M03 compound treatment 0.032 0.020374 0.1062 -0.043 -0.06327 -0.3516 -0.013 -0.03538 -0.2001 -0.2572 -0.6149 3557783 ACon1_000559 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M04 compound treatment 0.164 0.15237 0.7942 -0.043 -0.06327 -0.3516 0.087 0.06462 0.3654 0.4665 0.4951 353 ACon1_000560 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M05 compound treatment -0.08 -0.091626 -0.4776 0.0 -0.02027 -0.1126 0.376 0.35362 1.9998 0.8138 0.3952 3555963 ACon1_000561 OCC1OC(OC(=O)c2c(O)cc(O)cc2/C=C/c3ccccc3)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M06 compound treatment -0.037 -0.048626 -0.2534 -0.087 -0.10727 -0.5961 0.065 0.04262 0.241 -0.3513 -0.5083 3557538 ACon1_000562 CC1CC2OC(=O)C(=C)C2CC3OC31/C=C/C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M07 compound treatment 0.08 0.068374 0.3564 -0.041 -0.06127 -0.3405 0.111 0.08862 0.5012 0.2985 0.4247 3558167 ACon1_000563 CCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M08 compound treatment 0.094 0.082374 0.4294 -0.006 -0.02627 -0.146 -0.075 -0.09738 -0.5507 -0.1543 -0.2164 3558079 ACon1_000564 CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M09 mock treatment 0.066 0.054374 0.2834 -0.03 -0.05027 -0.2794 -0.06 -0.08238 -0.4659 -0.2666 -0.4352 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M10 mock treatment -0.041 -0.052626 -0.2743 -0.049 -0.06927 -0.3849 0.057 0.03462 0.1958 -0.2676 -0.523 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M11 compound treatment -0.025 -0.036626 -0.1909 -0.032 -0.05227 -0.2905 0.0 -0.02238 -0.1266 -0.351 -0.9488 3558160 ACon1_000565 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M12 compound treatment -0.035 -0.046626 -0.243 -0.054 -0.07427 -0.4127 -0.055 -0.07738 -0.4376 -0.6312 -0.973 3614369 ACon1_000566 COc1ccc(C(=O)Oc2ccc(C)c3CC(C)OC(=O)c23)c4CC(C)OC(=O)c14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M13 mock treatment -0.022 -0.033626 -0.1753 -0.028 -0.04827 -0.2682 -0.026 -0.04838 -0.2736 -0.414 -0.9826 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M14 mock treatment 0.061 0.049374 0.2574 -0.02 -0.04027 -0.2238 0.0 -0.02238 -0.1266 -0.0537 -0.1476 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M15 compound treatment -0.013 -0.024626 -0.1284 0.13 0.10973 0.6098 -0.034 -0.05638 -0.3188 0.0939 0.1341 3554270 ACon1_000567 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M16 compound treatment 0.031 0.019374 0.101 0.108 0.08773 0.4875 0.048 0.02562 0.1449 0.4234 0.8166 3559697 ACon1_000568 CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M17 compound treatment 0.184 0.17237 0.8985 0.091 0.07073 0.3931 0.037 0.01462 0.0827 0.7934 0.8062 3614370 ACon1_000569 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)[C@@]4(C)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M18 compound treatment -0.066 -0.077626 -0.4046 -0.183 -0.20327 -1.1296 -0.018 -0.04038 -0.2284 -1.0176 -0.8331 3554688 ACon1_000570 COC(=O)C1=CO[C@@H](OC2OC(CO)C(O)C(O)C2O)[C@H](C=C)[C@@H]1CCOC(=O)c3cc(O)c(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M19 compound treatment 0.128 0.11637 0.6066 0.031 0.01073 0.0596 0.14 0.11762 0.6652 0.7687 0.852 3553705 ACon1_000571 CC(CCC1(O)OC(=O)C=C1C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M20 compound treatment -0.166 -0.17763 -0.9258 -0.089 -0.10927 -0.6072 -0.208 -0.23038 -1.3028 -1.6373 -0.9576 3559384 ACon1_000572 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@@H](O)C[C@@H]64 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M21 compound treatment -0.037 -0.048626 -0.2534 0.09 0.06973 0.3875 0.051 0.02862 0.1619 0.1708 0.3483 3557814 ACon1_000573 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M22 compound treatment 0.069 0.057374 0.299 -0.03 -0.05027 -0.2794 0.143 0.12062 0.6821 0.4052 0.5094 1023017 ACon1_000574 COc1cc2oc(=O)ccc2cc1CC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M23 compound treatment -0.045 -0.056626 -0.2951 0.092 0.07173 0.3986 -0.062 -0.08438 -0.4772 -0.2158 -0.3135 3558029 ACon1_000575 COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]2O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 M24 compound treatment 0.208 0.19637 1.0236 -0.096 -0.11627 -0.6461 -0.034 -0.05638 -0.3188 0.0338 0.027 3559875 ACon1_000576 COc1ccc(cc1)c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N01 compound treatment 0.021 0.0093745 0.0489 -0.055 -0.07527 -0.4183 -0.069 -0.09138 -0.5168 -0.5116 -0.7675 3558056 ACon1_000577 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N02 compound treatment -0.049 -0.060626 -0.316 -0.029 -0.04927 -0.2738 0.027 0.0046202 0.0261 -0.3254 -0.7768 2118288 ACon1_000578 CCCC#C/C=C/1\OC(=O)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N03 compound treatment -0.058 -0.069626 -0.3629 0.112 0.09173 0.5098 0.147 0.12462 0.7048 0.4917 0.5217 3558083 ACon1_000579 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N04 compound treatment 0.013 0.0013745 0.0072 -0.112 -0.13227 -0.735 -0.079 -0.10138 -0.5733 -0.7513 -0.8059 3553187 ACon1_000580 CC(=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)/COC(=O)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N05 compound treatment 0.03 0.018374 0.0958 0.061 0.04073 0.2263 0.222 0.19962 1.1289 0.8377 0.7251 3173763 ACon1_000581 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N06 compound treatment -0.147 -0.15863 -0.8268 0.039 0.01873 0.1041 0.135 0.11262 0.6369 -0.0495 -0.0472 1733214 ACon1_000582 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N07 compound treatment 0.072 0.060374 0.3147 -0.05 -0.07027 -0.3905 0.044 0.02162 0.1223 0.0268 0.052 1043213 ACon1_000583 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N08 compound treatment 0.063 0.051374 0.2678 -0.103 -0.12327 -0.685 0.026 0.0036202 0.0205 -0.2291 -0.3113 3558609 ACon1_000584 COc1cc(ccc1O)[C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N09 mock treatment 0.038 0.026374 0.1375 0.018 -0.00227 -0.0126 -0.006 -0.02838 -0.1605 -0.0206 -0.0972 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N10 mock treatment -0.006 -0.017626 -0.0919 0.018 -0.00227 -0.0126 0.131 0.10862 0.6143 0.2943 0.4738 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N11 compound treatment -0.061 -0.072626 -0.3785 0.219 0.19873 1.1044 0.235 0.21262 1.2024 1.1133 0.6643 3553255 ACon1_000585 CC(=O)CCCC1Cc2cccc(O)c2C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N12 compound treatment -0.03 -0.041626 -0.217 0.017 -0.00327 -0.0182 0.036 0.01362 0.077 -0.0913 -0.3953 3553375 ACon1_000586 CC(=O)OC[C@@]12CCC(=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]1(C)C53CO5)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N13 mock treatment -0.079 -0.090626 -0.4724 0.054 0.03373 0.1874 0.041 0.01862 0.1053 -0.1037 -0.1998 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N14 mock treatment 0.014 0.0023745 0.0124 0.007 -0.01327 -0.0737 -0.013 -0.03538 -0.2001 -0.1509 -0.7067 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N15 compound treatment 0.0 -0.011626 -0.0606 -0.061 -0.08127 -0.4516 -0.064 -0.08638 -0.4885 -0.5778 -0.8649 1303116 ACon1_000587 Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N16 compound treatment 0.013 0.0013745 0.0072 0.032 0.01173 0.0652 0.006 -0.01638 -0.0926 -0.0117 -0.1032 3557944 ACon1_000588 C/C(=C\C(=O)O)/CCC1=C(C)CCC2C(C)(C)CCC[C@@]21C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N17 compound treatment 0.03 0.018374 0.0958 0.036 0.01573 0.0874 0.163 0.14062 0.7952 0.5649 0.7011 3559690 ACon1_000589 COC(=O)C1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1/C(=C\C)/CN2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N18 compound treatment 0.0 -0.011626 -0.0606 0.103 0.08273 0.4597 -0.019 -0.04138 -0.234 0.0953 0.1836 3558020 ACon1_000590 OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N19 compound treatment -0.006 -0.017626 -0.0919 -0.098 -0.11827 -0.6572 0.093 0.07062 0.3994 -0.2019 -0.2607 3559729 ACon1_000591 CC1=CC2(CC1CC=C23)CCC4[C@](C)(CO)[C@H](O)CC[C@]43C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N20 compound treatment 0.06 0.048374 0.2521 0.067 0.04673 0.2597 0.105 0.08262 0.4672 0.5653 0.9564 3558252 ACon1_000592 COc1cc2occc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N21 compound treatment 0.006 -0.0056255 -0.0293 0.06 0.03973 0.2208 -0.018 -0.04038 -0.2284 -0.0213 -0.0668 3553911 ACon1_000593 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N22 compound treatment 0.031 0.019374 0.101 0.018 -0.00227 -0.0126 0.038 0.01562 0.0883 0.102 0.7571 3558104 ACon1_000594 CC1CC(=O)[C@@]2(O)[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OCCc4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N23 compound treatment 0.063 0.051374 0.2678 0.039 0.01873 0.1041 0.085 0.06262 0.3541 0.4192 0.9192 3554077 ACon1_000595 Cc1cccc2oc(=O)c3c(O[C@@]4(C[C@]3(C)C=C)OC[C@@]5(C)O[C@H]54)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 N24 compound treatment 0.006 -0.0056255 -0.0293 0.044 0.02373 0.1319 0.051 0.02862 0.1619 0.1527 0.7241 3558467 ACon1_000596 Oc1cc(O)cc(CCCCCCC/C=C\C/C=C\CC=C)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O01 compound treatment 0.027 0.015374 0.0801 0.142 0.12173 0.6765 0.049 0.02662 0.1505 0.5237 0.7507 3557850 ACon1_000597 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O02 compound treatment 0.046 0.034374 0.1792 -0.094 -0.11427 -0.635 0.893 0.87062 4.9235 2.5794 0.5193 3558145 ACon1_000598 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC3)C(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O03 compound treatment 0.11 0.098374 0.5128 0.06 0.03973 0.2208 0.14 0.11762 0.6652 0.8075 0.9299 3554994 ACon1_000599 COc1cc(O)cc(c2cc(O)c(O)cc2C)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O04 compound treatment 0.163 0.15137 0.789 0.108 0.08773 0.4875 0.379 0.35662 2.0168 1.9014 0.8566 3558210 ACon1_000600 Oc1ccc(/C=C/C(=O)NCCCCN(CCCN(CCCNC(=O)\C=C\c2ccc(O)cc2)C(=O)\C=C\c3ccc(O)cc3)C(=O)\C=C\c4ccc(O)cc4)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O05 compound treatment 0.013 0.0013745 0.0072 0.055 0.03473 0.193 0.02 -0.0023798 -0.0135 0.1078 0.5568 3558099 ACon1_000601 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O[C@@H]5O[C@H](CO)C(O)[C@H](O)[C@H]5O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O06 compound treatment -0.012 -0.023626 -0.1231 -0.006 -0.02627 -0.146 0.031 0.0086202 0.0487 -0.1272 -0.6455 3557819 ACon1_000602 COC(=O)/C=C(\C)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O07 compound treatment 0.071 0.059374 0.3095 0.067 0.04673 0.2597 0.077 0.05462 0.3089 0.5069 0.9968 3558175 ACon1_000603 CC1CC2OC(=O)C(=C)C2CC=C1CCC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O08 compound treatment 0.14 0.12837 0.6691 0.076 0.05573 0.3097 0.098 0.07562 0.4276 0.812 0.9527 3557525 ACon1_000604 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O09 compound treatment -0.055 -0.066626 -0.3473 0.034 0.01373 0.0763 -0.043 -0.06538 -0.3697 -0.3699 -0.7211 3614377 ACon1_000605 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O10 compound treatment 0.224 0.21237 1.1069 0.199 0.17873 0.9932 0.258 0.23562 1.3325 1.9818 0.9925 3558377 ACon1_000606 CC(=CCc1c(O)cc2occ(c3ccc(O)cc3O)c(=O)c2c1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O11 mock treatment -0.05 -0.061626 -0.3212 -0.063 -0.08327 -0.4627 -0.05 -0.07238 -0.4093 -0.6889 -0.9894 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O12 mock treatment 0.037 0.025374 0.1323 0.0 -0.02027 -0.1126 0.06 0.03762 0.2127 0.1342 0.4884 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O13 compound treatment 0.007 -0.0046255 -0.0241 -0.061 -0.08127 -0.4516 0.104 0.08162 0.4616 -0.0082 -0.0127 3558336 ACon1_000607 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O14 compound treatment 0.007 -0.0046255 -0.0241 -0.118 -0.13827 -0.7684 -0.007 -0.02938 -0.1661 -0.5535 -0.7037 3559606 ACon1_000608 COc1cc(CCc2ccc3OCOc3c2)oc(=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O15 compound treatment -0.048 -0.059626 -0.3108 -0.037 -0.05727 -0.3183 0.092 0.06962 0.3937 -0.1359 -0.2287 3553200 ACon1_000609 CC(=CCCC(C)(O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O16 compound treatment 0.053 0.041374 0.2157 -0.006 -0.02627 -0.146 0.164 0.14162 0.8009 0.5026 0.5968 3074726 ACon1_000610 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O17 compound treatment 0.08 0.068374 0.3564 0.018 -0.00227 -0.0126 0.032 0.0096202 0.0544 0.2299 0.6373 3557679 ACon1_000611 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O18 compound treatment 0.05 0.038374 0.2 -0.034 -0.05427 -0.3016 -0.05 -0.07238 -0.4093 -0.295 -0.5399 3559274 ACon1_000612 COc1cc(OC)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O19 compound treatment 0.113 0.10137 0.5284 0.129 0.10873 0.6042 0.029 0.0066202 0.0374 0.6755 0.8407 3557735 ACon1_000613 COC1CC(O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O20 compound treatment -0.33 -0.34163 -1.7806 -0.036 -0.05627 -0.3127 -0.084 -0.10638 -0.6016 -1.5559 -0.8166 3558277 ACon1_000614 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)c6ccc(O)cc6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O21 compound treatment 0.341 0.32937 1.7168 0.242 0.22173 1.2322 0.298 0.27562 1.5587 2.6025 0.9911 3557827 ACon1_000615 OC(CCCCc1ccc(O)cc1)CCc2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O22 compound treatment 0.097 0.085374 0.445 0.079 0.05873 0.3264 0.085 0.06262 0.3541 0.6498 0.991 3557897 ACon1_000616 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O23 compound treatment 0.081 0.069374 0.3616 0.104 0.08373 0.4653 -0.041 -0.06338 -0.3584 0.2705 0.3921 3555034 ACon1_000617 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H](C)[C@H](O)[C@H]2OC(=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 O24 compound treatment 0.088 0.076374 0.3981 0.038 0.01773 0.0985 0.023 6.2023E-4 0.0035 0.2887 0.7041 3559877 ACon1_000618 OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P01 compound treatment 0.041 0.029374 0.1531 -0.019 -0.03927 -0.2182 0.075 0.05262 0.2976 0.1342 0.3359 3559267 ACon1_000619 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)[C@H]([C@H](O)[C@](C)(CO)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P02 compound treatment 0.032 0.020374 0.1062 -0.075 -0.09527 -0.5294 0.038 0.01562 0.0883 -0.1934 -0.3534 3559411 ACon1_000620 CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1OC(=O)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P03 compound treatment -0.108 -0.11963 -0.6235 -0.162 -0.18227 -1.0129 -0.094 -0.11638 -0.6581 -1.3248 -0.9745 3557780 ACon1_000621 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P04 compound treatment 0.241 0.22937 1.1956 0.169 0.14873 0.8265 0.211 0.18862 1.0667 1.7833 0.9891 1506 ACon1_000622 OCc1cc(=O)c(O)co1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P05 compound treatment 0.069 0.057374 0.299 -0.031 -0.05127 -0.2849 -0.091 -0.11338 -0.6412 -0.362 -0.4747 3557935 ACon1_000623 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P06 compound treatment 0.167 0.15537 0.8098 0.191 0.17073 0.9488 0.005 -0.01738 -0.0983 0.9586 0.7661 3554108 ACon1_000624 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P07 compound treatment -0.041 -0.052626 -0.2743 0.035 0.01473 0.0819 -0.069 -0.09138 -0.5168 -0.4095 -0.6931 1043213 ACon1_000625 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P08 compound treatment 0.334 0.32237 1.6803 0.013 -0.00727 -0.0404 0.257 0.23462 1.3268 1.7128 0.7999 3557255 ACon1_000626 OC(=O)C(=C)Oc1cccc(c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P09 compound treatment 0.069 0.057374 0.299 -0.011 -0.03127 -0.1738 0.099 0.07662 0.4333 0.3225 0.5817 3559264 ACon1_000627 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P10 compound treatment 0.092 0.080374 0.4189 -0.161 -0.18127 -1.0073 0.116 0.09362 0.5294 -0.0341 -0.0281 3553970 ACon1_000628 Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)OC4OC(CO)C(O)C(O)C4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P11 mock treatment 0.058 0.046374 0.2417 -0.025 -0.04527 -0.2516 0.163 0.14062 0.7952 0.4534 0.5222 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P12 mock treatment -0.101 -0.11263 -0.587 0.024 0.00373 0.0207 0.025 0.0026202 0.0148 -0.3184 -0.5419 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P13 compound treatment -0.064 -0.075626 -0.3942 -0.095 -0.11527 -0.6406 0.285 0.26262 1.4852 0.26 0.1562 3553930 ACon1_000629 CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3CC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P14 compound treatment 0.049 0.037374 0.1948 0.045 0.02473 0.1374 0.006 -0.01638 -0.0926 0.1383 0.5409 3557957 ACon1_000630 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(C)C(O)CC31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P15 compound treatment -0.042 -0.053626 -0.2795 0.181 0.16073 0.8932 0.025 0.0026202 0.0148 0.3629 0.3877 3559851 ACon1_000631 COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P16 compound treatment -0.155 -0.16663 -0.8685 -0.232 -0.25227 -1.4019 -0.104 -0.12638 -0.7147 -1.7234 -0.9589 3554298 ACon1_000632 CCCCCCCCCC(O)CC(O)CC(O)CC1CC=CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P17 compound treatment 0.026 0.014374 0.0749 -0.036 -0.05627 -0.3127 -0.181 -0.20338 -1.1502 -0.8013 -0.671 3559696 ACon1_000633 COc1cc2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P18 compound treatment 0.207 0.19537 1.0183 -0.07 -0.09027 -0.5016 -0.187 -0.20938 -1.1841 -0.3853 -0.2349 3558198 ACon1_000634 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P19 compound treatment -0.019 -0.030626 -0.1596 -0.141 -0.16127 -0.8962 -0.047 -0.06938 -0.3924 -0.8361 -0.8435 3559409 ACon1_000635 CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P20 compound treatment 0.233 0.22137 1.1539 0.044 0.02373 0.1319 0.133 0.11062 0.6256 1.1035 0.8365 3558052 ACon1_000636 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P21 compound treatment -0.049 -0.060626 -0.316 -0.017 -0.03727 -0.2071 -0.085 -0.10738 -0.6073 -0.6526 -0.9125 1001932 ACon1_000637 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P22 compound treatment -0.117 -0.12863 -0.6704 0.039 0.01873 0.1041 -0.034 -0.05638 -0.3188 -0.5111 -0.6817 3559888 ACon1_000638 Oc1ccc(c(O)c1)c2coc3cc(O)cc(O)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P23 compound treatment -0.096 -0.10763 -0.561 -0.131 -0.15127 -0.8406 0.025 0.0026202 0.0148 -0.8007 -0.7922 3559630 ACon1_000639 CC(C)C(=O)OCC(=C)C1Oc2cc(ccc2C1OC(=O)C(C)C)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2291 P24 compound treatment -0.013 -0.024626 -0.1284 0.147 0.12673 0.7043 0.104 0.08162 0.4616 0.599 0.7032 3558347 ACon1_000640 C[C@]1(CCC[C@]2(C)C1CC[C@]3(CC4CC[C@]32O)CC4=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A01 compound treatment 0.014 0.0023745 0.0124 0.041 0.02073 0.1152 -0.019 -0.04138 -0.234 -0.0614 -0.2353 3558339 ACon1_000641 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A02 compound treatment 0.028 0.016374 0.0853 0.061 0.04073 0.2263 0.02 -0.0023798 -0.0135 0.1722 0.7107 3558365 ACon1_000642 CC(=CCC/C(=C/C(C/C(=C/C(CC(C)(O)C=C)OC(=O)C)/C)OC(=O)C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A03 compound treatment 0.08 0.068374 0.3564 -0.127 -0.14727 -0.8184 0.216 0.19362 1.095 0.3654 0.2587 3558431 ACon1_000643 CC(=CCC(O)/C(=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A04 compound treatment -0.013 -0.024626 -0.1284 0.081 0.06073 0.3375 -0.078 -0.10038 -0.5677 -0.207 -0.3077 3559889 ACon1_000644 CCC(=O)OCC1=CCCC2C(C)(CCC(C)CC(=O)O)C(C)CCC21C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A05 compound treatment 0.081 0.069374 0.3616 0.17 0.14973 0.8321 0.143 0.12062 0.6821 1.083 0.9541 3558559 ACon1_000645 COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A06 compound treatment 0.096 0.084374 0.4398 -0.017 -0.03727 -0.2071 -0.012 -0.03438 -0.1944 0.0221 0.0422 3558221 ACon1_000646 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c3ccoc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A07 compound treatment -0.092 -0.10363 -0.5401 -0.16 -0.18027 -1.0018 -0.138 -0.16038 -0.907 -1.4139 -0.9715 3614399 ACon1_000647 COc1cc(O)cc2cc3C[C@](C)(O)CC(=O)c3c(O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A08 compound treatment -0.082 -0.093626 -0.488 0.019 -0.00127 -0.0071 -0.109 -0.13138 -0.743 -0.7148 -0.8041 3559065 ACon1_000648 COc1cc2OC(C)(C)C=Cc2c3oc(cc(=O)c13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A09 compound treatment 0.013 0.0013745 0.0072 0.19 0.16973 0.9432 0.1 0.07762 0.439 0.8021 0.771 3557259 ACon1_000649 COc1c(C)c(oc(=O)c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A10 compound treatment 0.012 3.7448E-4 0.002 0.043 0.02273 0.1263 0.006 -0.01638 -0.0926 0.0206 0.1313 3559150 ACon1_000650 COc1ccc(cc1O)c2coc3cc(O)ccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A11 compound treatment 0.021 0.0093745 0.0489 0.183 0.16273 0.9043 -0.056 -0.07838 -0.4433 0.2944 0.292 3553959 ACon1_000651 CC1C2C(CC(C)(O)C3CC4OC4(C)C3(O)C2=O)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A12 compound treatment 0.058 0.046374 0.2417 0.081 0.06073 0.3375 -0.062 -0.08438 -0.4772 0.0589 0.0931 3614402 ACon1_000652 COc1ccc(cc1)C2Oc3cc(OC)ccc3CC2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A13 mock treatment 0.078 0.066374 0.346 -0.102 -0.12227 -0.6795 -0.075 -0.09738 -0.5507 -0.5105 -0.5428 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A14 mock treatment 0.007 -0.0046255 -0.0241 -0.054 -0.07427 -0.4127 -0.007 -0.02938 -0.1661 -0.3481 -0.7813 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A15 compound treatment 0.069 0.057374 0.299 -0.161 -0.18127 -1.0073 0.06 0.03762 0.2127 -0.2861 -0.2669 3557496 ACon1_000653 CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]2(O)C(=CC(=O)CC2(C)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A16 compound treatment -0.04 -0.051626 -0.2691 0.014 -0.00627 -0.0348 0.124 0.10162 0.5747 0.1563 0.246 3554158 ACon1_000654 CCC(C)C1NC(=O)c2c1n(C)c3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A17 compound treatment 0.081 0.069374 0.3616 0.012 -0.00827 -0.046 0.2 0.17762 1.0045 0.7622 0.7133 3558190 ACon1_000655 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@]71CCC(C)CO7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A18 compound treatment 0.099 0.087374 0.4554 -0.042 -0.06227 -0.346 -0.012 -0.03438 -0.1944 -0.0491 -0.0813 3554284 ACon1_000656 CCCCCCC1OC(=O)CCCC(O)/C=C\C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A19 compound treatment -0.1 -0.11163 -0.5818 -0.099 -0.11927 -0.6628 0.011 -0.01138 -0.0644 -0.7557 -0.8546 3551961 ACon1_000657 C/C(=C\C(=O)OC1C(=CC=C(C=O)C1(C)C)C)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A20 compound treatment 0.132 0.12037 0.6274 0.164 0.14373 0.7987 -0.03 -0.05238 -0.2962 0.6524 0.6166 3558454 ACon1_000658 CC1CCC23CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C13C(=CC2(C)C)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A21 compound treatment 0.066 0.054374 0.2834 0.054 0.03373 0.1874 0.138 0.11562 0.6539 0.6494 0.8812 3558413 ACon1_000659 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A22 compound treatment 0.136 0.12437 0.6483 0.146 0.12573 0.6987 0.0 -0.02238 -0.1266 0.7046 0.7328 3553177 ACon1_000660 CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(=C\[C@H]3OC(=O)C(=C)C31)/COC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A23 compound treatment 0.072 0.060374 0.3147 0.077 0.05673 0.3153 -0.068 -0.09038 -0.5111 0.0686 0.1012 3558349 ACon1_000661 CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)CC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 A24 compound treatment 0.86 0.84837 4.4219 1.159 1.1387 5.8807 1.265 1.2426 6.2377 9.5495 0.99 3559855 ACon1_000662 CC/C=C\C=C\C(O)C/C=C\CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B01 compound treatment -0.1 -0.11163 -0.5818 0.065 0.04473 0.2486 0.077 0.05462 0.3089 -0.0141 -0.02 3558522 ACon1_000663 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C[C@H](O)[C@@](C)(O)[C@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B02 compound treatment 0.119 0.10737 0.5597 -0.12 -0.14027 -0.7795 0.092 0.06962 0.3937 0.1004 0.0968 3558331 ACon1_000664 CC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)O)C3(C)CO)C(O)C(OC8OCC(OC(=O)C)C(OC(=O)C)C8O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B03 compound treatment -0.019 -0.030626 -0.1596 -0.099 -0.11927 -0.6628 -0.049 -0.07138 -0.4037 -0.7079 -0.8935 3558658 ACon1_000665 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B04 compound treatment -0.152 -0.16363 -0.8529 0.031 0.01073 0.0596 -0.038 -0.06038 -0.3415 -0.6551 -0.7116 3557543 ACon1_000666 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(O)CC2(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B05 compound treatment 0.06 0.048374 0.2521 0.03 0.00973 0.0541 0.047 0.02462 0.1392 0.2572 0.8776 3558677 ACon1_000667 C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B06 compound treatment 0.006 -0.0056255 -0.0293 0.131 0.11073 0.6153 -0.025 -0.04738 -0.2679 0.1836 0.2734 3559891 ACon1_000668 CC(CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C3(O)COC(=O)C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B07 compound treatment -0.091 -0.10263 -0.5349 0.175 0.15473 0.8599 0.013 -0.0093798 -0.053 0.157 0.1548 3558735 ACon1_000669 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(=O)OC3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B08 compound treatment -0.042 -0.053626 -0.2795 0.018 -0.00227 -0.0126 0.026 0.0036202 0.0205 -0.1568 -0.5591 3557836 ACon1_000670 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)O[C@@H](OCCc4ccc(O)c(O)c4)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B09 compound treatment 0.07 0.058374 0.3043 0.006 -0.01427 -0.0793 0.089 0.06662 0.3767 0.3474 0.7079 3558686 ACon1_000671 COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)cc(OC)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B10 compound treatment 0.039 0.027374 0.1427 0.022 0.00173 0.0096 -0.137 -0.15938 -0.9013 -0.4325 -0.4739 1417265 ACon1_000672 OC1CCn2c1nc3ccccc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B11 compound treatment 0.038 0.026374 0.1375 -0.039 -0.05927 -0.3294 -0.117 -0.13938 -0.7882 -0.5659 -0.654 3557345 ACon1_000673 CC(=O)c1c(O)cc(O)c(C(=O)C)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B12 compound treatment 0.113 0.10137 0.5284 0.049 0.02873 0.1597 0.26 0.23762 1.3438 1.1731 0.8075 3558110 ACon1_000674 COc1cc(/C=C/c2ccccc2)cc(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B13 mock treatment 0.068 0.056374 0.2938 -0.073 -0.09327 -0.5183 -0.056 -0.07838 -0.4433 -0.3855 -0.5191 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B14 mock treatment -0.05 -0.061626 -0.3212 -0.049 -0.06927 -0.3849 -0.116 -0.13838 -0.7826 -0.8595 -0.9248 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B15 compound treatment 0.045 0.033374 0.174 -0.06 -0.08027 -0.4461 -0.139 -0.16138 -0.9126 -0.684 -0.6637 3559744 ACon1_000675 CC(CCO)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CCC[C@@]12C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B16 compound treatment 0.248 0.23637 1.232 0.113 0.09273 0.5153 0.037 0.01462 0.0827 1.0566 0.7897 3553396 ACon1_000676 CC(=O)OCC1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@@H](O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B17 compound treatment 0.094 0.082374 0.4294 0.102 0.08173 0.4542 0.024 0.0016202 0.0092 0.5154 0.8245 3489715 ACon1_000677 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B18 compound treatment 0.139 0.12737 0.6639 0.133 0.11273 0.6265 -0.051 -0.07338 -0.415 0.5054 0.504 3557359 ACon1_000678 CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n4c1nc5ccccc5c4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B19 compound treatment 0.0 -0.011626 -0.0606 0.024 0.00373 0.0207 0.098 0.07562 0.4276 0.2239 0.5178 3558569 ACon1_000679 CC1=C(CCC2=CC(O)OC2=O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B20 compound treatment 0.035 0.023374 0.1218 -0.053 -0.07327 -0.4072 0.05 0.02762 0.1562 -0.0746 -0.1647 3557575 ACon1_000680 OCCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B21 compound treatment 0.045 0.033374 0.174 0.019 -0.00127 -0.0071 0.108 0.08562 0.4842 0.3759 0.7306 3557374 ACon1_000681 C/C=C/C=C/C1C=CC2CC(C)CCC2C1(C)\C(=C/3\C(=O)NC(C(C)O)C3=O)\O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B22 compound treatment -0.115 -0.12663 -0.66 0.127 0.10673 0.5931 0.013 -0.0093798 -0.053 -0.0692 -0.0779 3558646 ACon1_000682 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B23 compound treatment -0.038 -0.049626 -0.2587 0.19 0.16973 0.9432 0.139 0.11662 0.6595 0.776 0.6578 3558270 ACon1_000683 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 B24 compound treatment 0.048 0.036374 0.1896 -0.053 -0.07327 -0.4072 -0.117 -0.13938 -0.7882 -0.5807 -0.6401 3558889 ACon1_000684 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1OC8OC(CO)C(O)C(O)C8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C01 compound treatment 0.167 0.15537 0.8098 0.118 0.09773 0.5431 0.281 0.25862 1.4625 1.6255 0.9248 3558360 ACon1_000685 COC(=O)[C@]1(C)CC[C@H](OC(=O)C)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2CC[C@](C)(C=C)[C@@H]3OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C02 compound treatment -0.019 -0.030626 -0.1596 -0.174 -0.19427 -1.0796 0.027 0.0046202 0.0261 -0.7004 -0.6416 3558319 ACon1_000686 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C03 compound treatment 0.135 0.12337 0.6431 -0.062 -0.08227 -0.4572 -0.085 -0.10738 -0.6073 -0.2433 -0.2444 3558457 ACon1_000687 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C04 compound treatment -0.006 -0.017626 -0.0919 0.088 0.06773 0.3764 0.096 0.07362 0.4163 0.4046 0.7115 3553465 ACon1_000688 CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C05 compound treatment 0.061 0.049374 0.2574 0.083 0.06273 0.3486 -0.025 -0.04738 -0.2679 0.1952 0.3831 3558579 ACon1_000689 COc1cc2OC(CC(=O)c2c(O)c1OC)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C06 compound treatment -0.029 -0.040626 -0.2117 -0.056 -0.07627 -0.4238 0.21 0.18762 1.061 0.2456 0.2114 3554662 ACon1_000690 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C07 compound treatment 0.123 0.11137 0.5805 -0.018 -0.03827 -0.2127 0.118 0.09562 0.5408 0.5246 0.6387 3558617 ACon1_000691 COC(=O)C1=COC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCCc4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C08 compound treatment -0.036 -0.047626 -0.2482 0.006 -0.01427 -0.0793 0.118 0.09562 0.5408 0.1231 0.2051 3559200 ACon1_000692 COc1cc2occ(c3ccc4OCOc4c3)c(=O)c2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C09 compound treatment -0.018 -0.029626 -0.1544 0.07 0.04973 0.2764 -0.095 -0.11738 -0.6638 -0.3128 -0.4254 3554819 ACon1_000693 COc1cc(=O)oc(/C(=C/C(=C/C(=C/C2(C)OC(C)C3(C)OC32)/C)/C)/C)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C10 compound treatment 0.208 0.19637 1.0236 0.118 0.09773 0.5431 0.026 0.0036202 0.0205 0.9163 0.7907 3558246 ACon1_000694 CC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C11 mock treatment -0.053 -0.064626 -0.3368 0.105 0.08473 0.4709 -0.018 -0.04038 -0.2284 -0.0545 -0.0875 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C12 mock treatment 0.131 0.11937 0.6222 -0.037 -0.05727 -0.3183 0.023 6.2023E-4 0.0035 0.1775 0.254 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C13 compound treatment 0.101 0.089374 0.4658 0.095 0.07473 0.4153 0.063 0.04062 0.2297 0.6413 0.9644 3558047 ACon1_000695 COc1cc(CCO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C14 compound treatment -0.006 -0.017626 -0.0919 -0.014 -0.03427 -0.1904 -0.06 -0.08238 -0.4659 -0.432 -0.8443 3614417 ACon1_000696 COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(O)c3c(=O)oc(C)cc3cc2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C15 mock treatment 0.013 0.0013745 0.0072 0.062 0.04173 0.2319 -0.007 -0.02938 -0.1661 0.0421 0.1475 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C16 mock treatment 0.112 0.10037 0.5232 -0.006 -0.02627 -0.146 -0.062 -0.08438 -0.4772 -0.0577 -0.0799 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C17 compound treatment 0.049 0.037374 0.1948 0.072 0.05173 0.2875 0.13 0.10762 0.6086 0.6298 0.8988 3558236 ACon1_000697 CC(C)C1(CC12)C(=O)CC2(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C18 compound treatment 0.067 0.055374 0.2886 -0.011 -0.03127 -0.1738 0.161 0.13862 0.7839 0.5189 0.6082 3557265 ACon1_000698 CC(=CCC/C(=C/CC/C(=C/Cc1c(C)cc(O)cc1O)/C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C19 compound treatment 0.21 0.19837 1.034 0.038 0.01773 0.0985 0.091 0.06862 0.3881 0.8779 0.7918 3558297 ACon1_000699 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C20 compound treatment -0.191 -0.20263 -1.0561 -0.101 -0.12127 -0.6739 0.018 -0.0043798 -0.0248 -1.0131 -0.8085 3558260 ACon1_000700 CC(C)C(O)(C(C)O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C21 compound treatment 0.03 0.018374 0.0958 -0.025 -0.04527 -0.2516 -0.05 -0.07238 -0.4093 -0.3263 -0.666 3558324 ACon1_000701 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C22 compound treatment 0.14 0.12837 0.6691 0.183 0.16273 0.9043 0.224 0.20162 1.1402 1.5667 0.9781 3558258 ACon1_000702 C[C@H](O)C1=CC2(CC[C@H]3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C23 compound treatment 0.045 0.033374 0.174 -0.006 -0.02627 -0.146 0.006 -0.01638 -0.0926 -0.0373 -0.1522 3555893 ACon1_000703 OC[C@H]1O[C@@H](Oc2cc(C(=O)O)c(O)c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 C24 compound treatment 0.229 0.21737 1.133 0.098 0.07773 0.432 0.053 0.03062 0.1732 1.0035 0.8193 3557293 ACon1_000704 COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D01 compound treatment -0.086 -0.097626 -0.5088 0.11 0.08973 0.4986 0.02 -0.0023798 -0.0135 -0.0137 -0.0192 3557722 ACon1_000705 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D02 compound treatment 0.071 0.059374 0.3095 0.178 0.15773 0.8765 0.23 0.20762 1.1741 1.3626 0.9099 3553508 ACon1_000706 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/[C@@](C)(O)C(=O)[C@@]2(O)[C@H](OC(=O)C)[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@]31OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D03 compound treatment -0.024 -0.035626 -0.1857 -0.37 -0.39027 -2.1688 -0.019 -0.04138 -0.234 -1.4945 -0.6826 3558643 ACon1_000707 COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c4c(cc(=O)oc4c1)c5ccc(O)c(O)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D04 compound treatment 0.108 0.096374 0.5023 0.148 0.12773 0.7098 0.098 0.07562 0.4276 0.9467 0.977 1279467 ACon1_000708 COC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D05 compound treatment 0.082 0.070374 0.3668 0.259 0.23873 1.3267 0.172 0.14962 0.8461 1.4662 0.9075 3614423 ACon1_000709 COC(=O)C1=CC=CC(CC(O)C(=O)O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D06 compound treatment 0.04 0.028374 0.1479 0.065 0.04473 0.2486 0.37 0.34762 1.9659 1.3639 0.6864 3558535 ACon1_000710 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D07 compound treatment -0.046 -0.057626 -0.3004 -0.123 -0.14327 -0.7962 0.29 0.26762 1.5134 0.2407 0.1386 3614426 ACon1_000711 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C5OC5C(=O)C4(C)C3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D08 compound treatment -0.119 -0.13063 -0.6809 -0.161 -0.18127 -1.0073 0.098 0.07562 0.4276 -0.7278 -0.5647 3554252 ACon1_000712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D09 compound treatment 0.039 0.027374 0.1427 -0.018 -0.03827 -0.2127 0.2 0.17762 1.0045 0.5395 0.5205 3558720 ACon1_000713 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D10 compound treatment -0.007 -0.018626 -0.0971 0.103 0.08273 0.4597 0.093 0.07062 0.3994 0.44 0.7134 3554771 ACon1_000714 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D11 mock treatment 0.057 0.045374 0.2365 0.169 0.14873 0.8265 -0.052 -0.07438 -0.4206 0.3709 0.3875 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D12 mock treatment 0.096 0.084374 0.4398 0.018 -0.00227 -0.0126 0.0 -0.02238 -0.1266 0.1736 0.3791 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D13 compound treatment -0.029 -0.040626 -0.2117 0.053 0.03273 0.1819 0.061 0.03862 0.2184 0.1089 0.3071 3614428 ACon1_000715 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D14 compound treatment 0.34 0.32837 1.7116 0.063 0.04273 0.2375 0.159 0.13662 0.7726 1.5713 0.8302 3553648 ACon1_000716 CC(C)CC1NC(=O)C2CCCN2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D15 mock treatment 0.0 -0.011626 -0.0606 0.082 0.06173 0.343 0.018 -0.0043798 -0.0248 0.1488 0.426 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D16 mock treatment 0.097 0.085374 0.445 -0.072 -0.09227 -0.5128 0.0 -0.02238 -0.1266 -0.1122 -0.1625 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D17 compound treatment 0.048 0.036374 0.1896 0.012 -0.00827 -0.046 0.011 -0.01138 -0.0644 0.0458 0.2228 3558202 ACon1_000717 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D18 compound treatment 0.158 0.14637 0.7629 0.084 0.06373 0.3542 0.22 0.19762 1.1176 1.2902 0.9224 3558526 ACon1_000718 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D19 compound treatment 0.117 0.10537 0.5492 0.013 -0.00727 -0.0404 0.324 0.30162 1.7057 1.2786 0.7133 3614429 ACon1_000719 COc1cccc2oc3OC=C(CO)C=C(C(=O)O)c3c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D20 compound treatment 0.399 0.38737 2.0191 -0.102 -0.12227 -0.6795 0.316 0.29362 1.6605 1.7321 0.6413 3558603 ACon1_000720 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D21 compound treatment 0.068 0.056374 0.2938 -0.006 -0.02627 -0.146 0.112 0.08962 0.5068 0.378 0.626 3614430 ACon1_000721 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCC4=CC(=O)OC4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D22 compound treatment 0.094 0.082374 0.4294 0.176 0.15573 0.8654 0.085 0.06262 0.3541 0.952 0.9252 3558751 ACon1_000722 COc1ccc(cc1OC)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)c3ccc(OC)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D23 compound treatment 0.166 0.15437 0.8046 0.099 0.07873 0.4375 0.101 0.07862 0.4446 0.9739 0.9565 3554692 ACon1_000723 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](OC(=O)CC5\C(=C\C)\C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC)[C@@H](O)[C@@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 D24 compound treatment 0.063 0.051374 0.2678 -0.03 -0.05027 -0.2794 -0.1 -0.12238 -0.6921 -0.4063 -0.5124 3554061 ACon1_000724 CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E01 mock treatment -0.021 -0.032626 -0.1701 0.07 0.04973 0.2764 -0.307 -0.32938 -1.8627 -1.0141 -0.5363 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E02 mock treatment 0.029 0.017374 0.0906 0.091 0.07073 0.3931 -0.079 -0.10138 -0.5733 -0.0518 -0.0739 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E03 compound treatment -0.112 -0.12363 -0.6444 -0.02 -0.04027 -0.2238 -0.014 -0.03638 -0.2057 -0.62 -0.8702 3558404 ACon1_000725 CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@@]32C)C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E04 compound treatment -0.121 -0.13263 -0.6913 0.185 0.16473 0.9154 -0.058 -0.08038 -0.4546 -0.133 -0.1078 3558499 ACon1_000726 OCC1OC(Oc2ccc(/C=C/C(=O)OC3COC(OCC4OC(OC(C#N)c5ccccc5)C(O)C(O)C4O)C(O)C3O)cc2)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E05 compound treatment -0.109 -0.12063 -0.6287 0.006 -0.01427 -0.0793 0.786 0.76362 4.3184 2.0845 0.4776 3558134 ACon1_000727 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E06 compound treatment -0.024 -0.035626 -0.1857 0.031 0.01073 0.0596 0.08 0.05762 0.3259 0.1154 0.3037 2082654 ACon1_000728 COc1ccc(cc1OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E07 compound treatment 0.043 0.031374 0.1635 0.058 0.03773 0.2097 0.066 0.04362 0.2467 0.3579 0.9867 3557964 ACon1_000729 CC(=O)OC1C(O)C(O)C(CO)OC1Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E08 compound treatment 0.058 0.046374 0.2417 -0.03 -0.05027 -0.2794 0.166 0.14362 0.8122 0.4472 0.5012 3614436 ACon1_000730 COc1ccc(cc1)c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E09 mock treatment -0.067 -0.078626 -0.4098 0.127 0.10673 0.5931 -0.079 -0.10138 -0.5733 -0.2252 -0.2445 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E10 mock treatment 0.162 0.15037 0.7838 0.099 0.07873 0.4375 -0.114 -0.13638 -0.7713 0.2598 0.2196 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E11 compound treatment 0.132 0.12037 0.6274 0.166 0.14573 0.8098 0.061 0.03862 0.2184 0.9559 0.9126 1102884 ACon1_000731 Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E12 compound treatment -0.019 -0.030626 -0.1596 0.174 0.15373 0.8543 0.354 0.33162 1.8754 1.4838 0.7179 3614439 ACon1_000732 Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C)c3Oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E13 compound treatment 0.0 -0.011626 -0.0606 0.068 0.04773 0.2652 -0.047 -0.06938 -0.3924 -0.1084 -0.227 3558045 ACon1_000733 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E14 compound treatment 0.113 0.10137 0.5284 -0.049 -0.06927 -0.3849 -0.104 -0.12638 -0.7147 -0.3298 -0.3405 3557896 ACon1_000734 CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1OC6OC(CO)C(O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E15 compound treatment 0.014 0.0023745 0.0124 -0.153 -0.17327 -0.9629 0.048 0.02562 0.1449 -0.4651 -0.4776 3555889 ACon1_000735 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E16 compound treatment -0.088 -0.099626 -0.5193 0.007 -0.01327 -0.0737 -0.026 -0.04838 -0.2736 -0.5003 -0.8458 3557786 ACon1_000736 CC1(C)[C@@H](O)C(=O)C[C@@]2(C)C1CC[C@@]3(C)O[C@](C)(CCC32)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E17 mock treatment 0.294 0.28237 1.4718 -0.058 -0.07827 -0.435 0.127 0.10462 0.5916 0.9402 0.5716 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E18 mock treatment 0.106 0.094374 0.4919 -0.111 -0.13127 -0.7295 -0.054 -0.07638 -0.4319 -0.3866 -0.3944 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E19 compound treatment 0.024 0.012374 0.0645 -0.144 -0.16427 -0.9129 0.031 0.0086202 0.0487 -0.4617 -0.5038 3558389 ACon1_000737 CC(C)C1CC=C(C)C(O)CCC(=C)CC1OC2OC(COC(=O)C)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E20 compound treatment 0.164 0.15237 0.7942 0.235 0.21473 1.1933 0.018 -0.0043798 -0.0248 1.1332 0.7904 3558256 ACon1_000738 OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E21 compound treatment -0.074 -0.085626 -0.4463 -0.13 -0.15027 -0.8351 -0.026 -0.04838 -0.2736 -0.8978 -0.9109 3558369 ACon1_000739 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E22 compound treatment 0.073 0.061374 0.3199 0.056 0.03573 0.1986 0.149 0.12662 0.7161 0.7127 0.881 3558332 ACon1_000740 Oc1ccc(cc1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E23 compound treatment 0.13 0.11837 0.617 0.108 0.08773 0.4875 -0.073 -0.09538 -0.5394 0.3263 0.3422 3558345 ACon1_000741 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 E24 compound treatment 0.124 0.11237 0.5857 -0.06 -0.08027 -0.4461 0.141 0.11862 0.6708 0.4679 0.4698 3557578 ACon1_000742 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F01 mock treatment 0.041 0.029374 0.1531 -0.076 -0.09627 -0.535 0.018 -0.0043798 -0.0248 -0.2348 -0.4215 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F02 mock treatment 0.0 -0.011626 -0.0606 -0.089 -0.10927 -0.6072 0.078 0.05562 0.3145 -0.204 -0.2971 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F03 compound treatment -0.046 -0.057626 -0.3004 0.061 0.04073 0.2263 -0.042 -0.06438 -0.3641 -0.2529 -0.4832 3558651 ACon1_000743 C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F04 compound treatment -0.154 -0.16563 -0.8633 -0.037 -0.05727 -0.3183 0.055 0.03262 0.1845 -0.5757 -0.6135 3614448 ACon1_000744 COC(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F05 compound treatment -0.065 -0.076626 -0.3994 -0.012 -0.03227 -0.1793 -0.006 -0.02838 -0.1605 -0.4268 -0.9153 3552924 ACon1_000745 C[C@H](CCC(=C)[C@@H](C)C(=O)O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)C4CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F06 compound treatment 0.006 -0.0056255 -0.0293 0.115 0.09473 0.5264 0.077 0.05462 0.3089 0.4653 0.7615 3554676 ACon1_000746 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(OC(=O)C[C@H]4\C(=C/C)\[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F07 compound treatment -0.074 -0.085626 -0.4463 -0.08 -0.10027 -0.5572 0.145 0.12262 0.6934 -0.179 -0.1799 3554523 ACon1_000747 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)\C(=C/C)\C)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F08 compound treatment 0.075 0.063374 0.3303 -0.082 -0.10227 -0.5683 0.094 0.07162 0.405 0.0964 0.1249 3558636 ACon1_000748 CC(O)CCC1=CC[C@H]2OC(=O)C(=C)[C@@H]2CC1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F09 mock treatment 0.193 0.18137 0.9454 -0.039 -0.05927 -0.3294 0.071 0.04862 0.275 0.5144 0.4955 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F10 mock treatment -0.078 -0.089626 -0.4671 0.108 0.08773 0.4875 -0.031 -0.05338 -0.3019 -0.1625 -0.2197 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F11 compound treatment 0.08 0.068374 0.3564 0.369 0.34873 1.9379 0.193 0.17062 0.9649 1.8817 0.8577 3558527 ACon1_000749 COc1ccc2ccc(=O)oc2c1C(OC(=O)C)C(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F12 compound treatment 0.043 0.031374 0.1635 -0.06 -0.08027 -0.4461 0.117 0.09462 0.5351 0.1458 0.2038 3558182 ACon1_000750 C/C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@]43C)C2CC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F13 compound treatment 0.021 0.0093745 0.0489 0.039 0.01873 0.1041 -0.108 -0.13038 -0.7373 -0.3374 -0.4521 3559736 ACon1_000751 CC(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]3[C@@H](OC(=O)C=C(C)C)[C@H](O)C[C@H](C)[C@@]13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F14 compound treatment 0.013 0.0013745 0.0072 0.103 0.08273 0.4597 0.11 0.08762 0.4955 0.5557 0.822 3553501 ACon1_000752 CC(C)[C@]1(O)CC2=CC[C@H](OC1=O)/C(=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](C2)OC(=O)/C(=C/CO)/CO)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F15 compound treatment 0.085 0.073374 0.3824 -0.054 -0.07427 -0.4127 0.05 0.02762 0.1562 0.0727 0.1245 3559723 ACon1_000753 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(CO)OC2[C@H]3OC(=O)C(=C)C31)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F16 compound treatment 0.115 0.10337 0.5388 -0.053 -0.07327 -0.4072 0.121 0.09862 0.5577 0.398 0.4544 3558093 ACon1_000754 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F17 mock treatment 0.048 0.036374 0.1896 0.049 0.02873 0.1597 0.043 0.02062 0.1166 0.269 0.9819 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F18 mock treatment 0.047 0.035374 0.1844 0.052 0.03173 0.1763 0.006 -0.01638 -0.0926 0.1548 0.5702 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F19 compound treatment 0.031 0.019374 0.101 -0.145 -0.16527 -0.9184 -0.026 -0.04838 -0.2736 -0.6299 -0.6537 3554275 ACon1_000755 CCCCCC1=C(O)/C(=C/C(=O)O)/OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F20 compound treatment 0.132 0.12037 0.6274 0.045 0.02473 0.1374 0.019 -0.0033798 -0.0191 0.4306 0.67 3558634 ACon1_000756 CCC(C)(O)CC(=O)O[C@H]/1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC\C=C1/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F21 compound treatment 0.183 0.17137 0.8932 0.146 0.12573 0.6987 0.204 0.18162 1.0271 1.5121 0.9883 3614460 ACon1_000757 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CN1CCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F22 compound treatment -0.038 -0.049626 -0.2587 -0.063 -0.08327 -0.4627 0.02 -0.0023798 -0.0135 -0.4243 -0.8001 3555003 ACon1_000758 COc1cc(oc(=O)c1)c2c(C)cc(O)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F23 compound treatment 0.084 0.072374 0.3772 0.313 0.29273 1.6267 0.203 0.18062 1.0214 1.7467 0.8923 3557852 ACon1_000759 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 F24 compound treatment 0.342 0.33037 1.722 -0.03 -0.05027 -0.2794 -0.048 -0.07038 -0.398 0.6031 0.3371 3558059 ACon1_000760 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](OC5OCC(O)(CO)C5O)[C@H](O)[C@H]4O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G01 compound treatment 0.031 0.019374 0.101 -0.053 -0.07327 -0.4072 -0.014 -0.03638 -0.2057 -0.2956 -0.6326 3558424 ACon1_000761 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G02 compound treatment 0.019 0.0073745 0.0384 0.007 -0.01327 -0.0737 0.007 -0.01538 -0.087 -0.0706 -0.5867 3558440 ACon1_000762 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H](C(=C)CO)[C@@](C)(C[C@@H]2O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G03 mock treatment 0.012 3.7448E-4 0.002 0.074 0.05373 0.2986 0.04 0.01762 0.0996 0.231 0.734 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G04 mock treatment 0.136 0.12437 0.6483 0.037 0.01673 0.093 0.0 -0.02238 -0.1266 0.3549 0.532 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G05 compound treatment -0.101 -0.11263 -0.587 0.239 0.21873 1.2155 0.158 0.13562 0.767 0.8057 0.5189 3552674 ACon1_000763 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](O)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G06 compound treatment 0.016 0.0043745 0.0228 0.063 0.04273 0.2375 0.244 0.22162 1.2533 0.8739 0.6849 3557361 ACon1_000764 COc1cc(OC)c2c(=O)oc(CC(O)CC(=O)C)cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G07 compound treatment -0.019 -0.030626 -0.1596 -0.176 -0.19627 -1.0907 0.411 0.38862 2.1977 0.547 0.2225 1080935 ACon1_000765 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G08 compound treatment -0.141 -0.15263 -0.7955 -0.104 -0.12427 -0.6906 0.067 0.04462 0.2523 -0.7123 -0.6576 3614466 ACon1_000766 COc1cc(O)c-2c(CCc3cc(OC)c(OC)cc32)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G09 compound treatment 0.024 0.012374 0.0645 0.018 -0.00227 -0.0126 0.195 0.17262 0.9762 0.5936 0.6067 3557989 ACon1_000767 CC(C)(O)C1Oc2cc3occ(c4ccc(O)cc4)c(=O)c3c(O)c2C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G10 compound treatment -0.035 -0.046626 -0.243 0.218 0.19773 1.0988 0.065 0.04262 0.241 0.6332 0.5502 3559169 ACon1_000768 COc1ccc(cc1)C(O)CNC(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G11 compound treatment 0.077 0.065374 0.3407 0.113 0.09273 0.5153 0.401 0.37862 2.1412 1.7305 0.7765 3558069 ACon1_000769 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3CCC(CO)[C@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G12 compound treatment -0.035 -0.046626 -0.243 0.048 0.02773 0.1541 -0.055 -0.07738 -0.4376 -0.304 -0.5804 3555309 ACon1_000770 COc1cccc2C(=O)OC(c21)c3ccc4C(O)C(C)CC(=O)c4c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G13 compound treatment 0.038 0.026374 0.1375 -0.093 -0.11327 -0.6295 -0.087 -0.10938 -0.6186 -0.6412 -0.7179 3558151 ACon1_000771 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G14 compound treatment -0.024 -0.035626 -0.1857 0.013 -0.00727 -0.0404 0.068 0.04562 0.258 0.0184 0.0575 3557929 ACon1_000772 C[C@@]12C[C@@H](O)[C@@H]3C[C@@]2(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)c5ccccc5)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G15 compound treatment -0.084 -0.095626 -0.4984 -0.012 -0.03227 -0.1793 0.101 0.07862 0.4446 -0.1346 -0.1946 3558123 ACon1_000773 COc1ccc(/C=C/C(=O)O[C@]2(C)CCC3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G16 compound treatment -0.024 -0.035626 -0.1857 0.164 0.14373 0.7987 0.061 0.03862 0.2184 0.48 0.5657 3557915 ACon1_000774 COc1c(OC2OC(CO)C(O)C(O)C2O)ccc(O)c1C(=O)OCc3ccccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G17 compound treatment 0.058 0.046374 0.2417 0.09 0.06973 0.3875 0.061 0.03862 0.2184 0.4894 0.9667 3614471 ACon1_000775 COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G18 compound treatment 0.106 0.094374 0.4919 0.11 0.08973 0.4986 0.047 0.02462 0.1392 0.6523 0.9134 3558265 ACon1_000776 COc1ccc(cc1)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G19 mock treatment 0.209 0.19737 1.0288 0.547 0.52673 2.9271 0.227 0.20462 1.1572 2.952 0.8915 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G20 mock treatment 0.667 0.65537 3.416 -0.121 -0.14127 -0.7851 -0.012 -0.03438 -0.1944 1.4067 0.4007 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G21 compound treatment 0.101 0.089374 0.4658 0.047 0.02673 0.1485 0.037 0.01462 0.0827 0.4024 0.8116 3558300 ACon1_000777 CC(CO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CCC(=O)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G22 compound treatment 0.087 0.075374 0.3929 0.15 0.12973 0.7209 0.099 0.07662 0.4333 0.8932 0.9622 1047948 ACon1_000778 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G23 compound treatment 0.045 0.033374 0.174 0.122 0.10173 0.5653 -0.089 -0.11138 -0.6299 0.0632 0.0731 3558322 ACon1_000779 CC(C)c1cc2C(O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 G24 compound treatment 0.108 0.096374 0.5023 0.154 0.13373 0.7432 0.006 -0.01638 -0.0926 0.6656 0.7381 3558519 ACon1_000780 OCC1C(O)CC2C1C(=O)OCC2=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H01 compound treatment -0.02 -0.031626 -0.1648 -0.013 -0.03327 -0.1849 -0.067 -0.08938 -0.5055 -0.4937 -0.8772 3614474 ACon1_000781 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C5(O)C(C)(CCC(=O)OC5(C)C)C4Cc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H02 compound treatment -0.098 -0.10963 -0.5714 0.018 -0.00227 -0.0126 0.121 0.09862 0.5577 -0.0152 -0.019 3558708 ACon1_000782 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)/C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H03 mock treatment 0.049 0.037374 0.1948 0.112 0.09173 0.5098 0.012 -0.01038 -0.0587 0.3729 0.6794 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H04 mock treatment -0.013 -0.024626 -0.1284 0.026 0.00573 0.0318 0.111 0.08862 0.5012 0.2336 0.4507 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H05 compound treatment 0.065 0.053374 0.2782 0.052 0.03173 0.1763 0.075 0.05262 0.2976 0.4342 0.9782 3552202 ACon1_000783 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H06 compound treatment -0.235 -0.24663 -1.2855 0.054 0.03373 0.1874 0.13 0.10762 0.6086 -0.2826 -0.197 3558285 ACon1_000784 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%101CCC(C)CO%10 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H07 compound treatment -0.135 -0.14663 -0.7642 0.255 0.23473 1.3044 0.084 0.06162 0.3485 0.5131 0.3307 3558479 ACon1_000785 C[C@@]1(CCC2=C(C1)C(=O)CC3[C@@](C)(CCC[C@@]32C)C(=O)O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H08 compound treatment -0.031 -0.042626 -0.2222 0.055 0.03473 0.193 -0.006 -0.02838 -0.1605 -0.1095 -0.3267 3553528 ACon1_000786 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(CO)C(C1)OC(=O)C(C)C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H09 compound treatment 0.039 0.027374 0.1427 0.036 0.01573 0.0874 0.095 0.07262 0.4107 0.37 0.8342 3558737 ACon1_000787 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H10 compound treatment 0.054 0.042374 0.2209 0.006 -0.01427 -0.0793 0.125 0.10262 0.5803 0.4168 0.6658 3559235 ACon1_000788 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H11 compound treatment 0.096 0.084374 0.4398 0.187 0.16673 0.9265 0.013 -0.0093798 -0.053 0.7582 0.7383 3557942 ACon1_000789 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H12 compound treatment -0.148 -0.15963 -0.832 0.018 -0.00227 -0.0126 0.173 0.15062 0.8518 0.0041 0.0035 3552656 ACon1_000790 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)c3ccccc3)[C@@H]4[C@@H](OC(=O)C)[C@]12OC4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H13 compound treatment 0.071 0.059374 0.3095 0.242 0.22173 1.2322 0.289 0.26662 1.5078 1.7606 0.8929 1712662 ACon1_000791 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H14 compound treatment 0.046 0.034374 0.1792 0.166 0.14573 0.8098 0.151 0.12862 0.7274 0.991 0.8983 3557252 ACon1_000792 CC1CCC2C(C)(C)[C@@H](O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H15 compound treatment -0.006 -0.017626 -0.0919 0.012 -0.00827 -0.046 -0.047 -0.06938 -0.3924 -0.3061 -0.7547 3559760 ACon1_000793 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H16 compound treatment 0.376 0.36437 1.8992 0.331 0.31073 1.7268 0.335 0.31262 1.7679 3.1142 0.9992 3558095 ACon1_000794 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)/C(=C/C)/C)[C@]5(C)[C@H](CC[C@]5(O)[C@]4(O)CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H17 compound treatment -0.055 -0.066626 -0.3473 0.049 0.02873 0.1597 0.108 0.08562 0.4842 0.1712 0.2776 3557608 ACon1_000795 COC(=O)C1=CCC[C@@H]2[C@@]3(CC(OC3=O)c4ccoc4)[C@H](C)CC[C@]21C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H18 compound treatment -0.22 -0.23163 -1.2073 0.089 0.06873 0.3819 0.073 0.05062 0.2863 -0.3112 -0.2397 3558016 ACon1_000796 COc1c(oc2c(OC)c(O)cc(O)c2c1=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H19 mock treatment 0.096 0.084374 0.4398 0.119 0.09873 0.5487 0.112 0.08962 0.5068 0.8633 0.996 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H20 mock treatment -0.063 -0.074626 -0.389 -0.013 -0.03327 -0.1849 0.15 0.12762 0.7217 0.0854 0.1016 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H21 compound treatment -0.006 -0.017626 -0.0919 0.1 0.07973 0.4431 0.147 0.12462 0.7048 0.6097 0.7279 3558356 ACon1_000797 CCC1C2O[C@H]3OC=C([C@H]4C=C[C@]2(OC1=O)[C@@H]34)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H22 compound treatment 0.237 0.22537 1.1747 0.188 0.16773 0.9321 0.141 0.11862 0.6708 1.6037 0.9762 3558238 ACon1_000798 CC(O)(C=C)C(O)CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H23 compound treatment 0.124 0.11237 0.5857 0.252 0.23173 1.2878 0.013 -0.0093798 -0.053 1.051 0.7424 3553600 ACon1_000799 CC(C)C1NC(=O)/C(=C/c2nc[nH]c2C(C)(C)C=C)/NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 H24 compound treatment 0.335 0.32337 1.6855 0.265 0.24473 1.36 0.187 0.16462 0.931 2.2958 0.9739 3558108 ACon1_000800 CC1(C)[C@H]2C[C@@H]1C(=CC2)CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I01 compound treatment 0.048 0.036374 0.1896 -0.051 -0.07127 -0.3961 0.021 -0.0013798 -0.0078 -0.1237 -0.2817 3558341 ACon1_000801 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I02 compound treatment 0.019 0.0073745 0.0384 -0.02 -0.04027 -0.2238 0.14 0.11762 0.6652 0.277 0.3941 3558497 ACon1_000802 CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4[C@H](OC(=O)C4=C)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I03 compound treatment 0.063 0.051374 0.2678 0.043 0.02273 0.1263 0.103 0.08062 0.4559 0.4908 0.9028 3558461 ACon1_000803 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(=O)C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I04 compound treatment 0.067 0.055374 0.2886 0.013 -0.00727 -0.0404 0.045 0.02262 0.1279 0.2172 0.6823 3558501 ACon1_000804 CC(OC1OC(CO)C(O)C(O)C1O)C2C(O)CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I05 mock treatment -0.03 -0.041626 -0.217 -0.042 -0.06227 -0.346 -0.044 -0.06638 -0.3754 -0.5418 -0.9766 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I06 mock treatment 0.059 0.047374 0.2469 -0.203 -0.22327 -1.2407 -0.045 -0.06738 -0.381 -0.7938 -0.6008 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I07 compound treatment -0.123 -0.13463 -0.7017 0.006 -0.01427 -0.0793 0.377 0.35462 2.0054 0.7069 0.3325 3557857 ACon1_000805 COc1c2ccoc2c(OC)c3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I08 compound treatment -0.061 -0.072626 -0.3785 0.077 0.05673 0.3153 0.044 0.02162 0.1223 0.0341 0.0671 3614493 ACon1_000806 COc1cc(O)c2c(=O)cc(oc2c1OC)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I09 compound treatment 0.102 0.090374 0.4711 0.047 0.02673 0.1485 0.065 0.04262 0.241 0.4969 0.9041 3557926 ACon1_000807 CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I10 compound treatment 0.159 0.14737 0.7682 0.143 0.12273 0.682 0.307 0.28462 1.6096 1.7666 0.9252 3558796 ACon1_000808 COc1cc(O)c(OC)c2OC(CC(=O)c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I11 compound treatment 0.147 0.13537 0.7056 0.212 0.19173 1.0655 0.018 -0.0043798 -0.0248 1.0082 0.7888 3558071 ACon1_000809 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccc(O)cc3)[C@H]4CCC(CO)[C@H]41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I12 compound treatment 0.478 0.46637 2.4309 0.337 0.31673 1.7601 0.404 0.38162 2.1581 3.6657 0.9916 2084711 ACon1_000810 CC(=CCc1c(O)ccc2ccc(=O)oc12)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I13 compound treatment 0.077 0.065374 0.3407 -0.065 -0.08527 -0.4739 -0.04 -0.06238 -0.3528 -0.2805 -0.4113 3558138 ACon1_000811 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccc(O)cc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I14 compound treatment 0.02 0.0083745 0.0436 -0.021 -0.04127 -0.2293 0.027 0.0046202 0.0261 -0.0921 -0.3922 3555622 ACon1_000812 O[C@H]1[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(=O)Cc3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I15 compound treatment 0.09 0.078374 0.4085 -0.013 -0.03327 -0.1849 -0.062 -0.08438 -0.4772 -0.1464 -0.2236 3558149 ACon1_000813 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H]4C/C(=C\CC2)/C(=O)O4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I16 compound treatment 0.226 0.21437 1.1174 -0.006 -0.02627 -0.146 0.183 0.16062 0.9083 1.0853 0.7498 3557723 ACon1_000814 CC1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I17 compound treatment -0.067 -0.078626 -0.4098 0.14 0.11973 0.6654 0.385 0.36262 2.0507 1.3315 0.6067 3558279 ACon1_000815 C/C(=C\CCC(O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/CCC(C)(O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I18 compound treatment -0.081 -0.092626 -0.4828 0.05 0.02973 0.1652 0.108 0.08562 0.4842 0.0962 0.1368 3558214 ACon1_000816 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I19 compound treatment 0.046 0.034374 0.1792 0.171 0.15073 0.8376 0.052 0.02962 0.1675 0.6838 0.7834 3614503 ACon1_000817 CC1OC(=O)CC2C(=CC3(O)CC(C)(C)CC213)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I20 compound treatment -0.046 -0.057626 -0.3004 -0.031 -0.05127 -0.2849 0.074 0.05162 0.2919 -0.1694 -0.3343 1072848 ACon1_000818 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I21 mock treatment -0.023 -0.034626 -0.1805 -0.053 -0.07327 -0.4072 0.068 0.04562 0.258 -0.1903 -0.3698 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I22 mock treatment 0.235 0.22337 1.1643 0.149 0.12873 0.7154 0.191 0.16862 0.9536 1.6358 0.9817 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I23 compound treatment 0.121 0.10937 0.5701 0.084 0.06373 0.3542 -0.119 -0.14138 -0.7995 0.072 0.069 3554830 ACon1_000819 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 I24 compound treatment 0.201 0.18937 0.9871 -0.031 -0.05127 -0.2849 0.067 0.04462 0.2523 0.5511 0.5209 3558502 ACon1_000820 COc1cc2OCOc2cc1c3coc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J01 compound treatment -0.104 -0.11563 -0.6027 -0.095 -0.11527 -0.6406 -0.051 -0.07338 -0.415 -0.9574 -0.9844 3553370 ACon1_000821 CC(=O)OC[C@@]12C[C@H](O)C(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J02 compound treatment 0.208 0.19637 1.0236 -0.013 -0.03327 -0.1849 0.282 0.25962 1.4682 1.3319 0.7402 3558605 ACon1_000822 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J03 compound treatment -0.12 -0.13163 -0.6861 0.073 0.05273 0.293 0.028 0.0056202 0.0318 -0.2086 -0.2793 3558664 ACon1_000823 CC(C(=O)O)[C@@]12CC[C@H](C)[C@H](CCC(=O)O)C(C)C2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J04 compound treatment 0.131 0.11937 0.6222 -0.05 -0.07027 -0.3905 0.139 0.11662 0.6595 0.5145 0.5212 3559918 ACon1_000824 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J05 mock treatment -0.056 -0.067626 -0.3525 0.05 0.02973 0.1652 -0.048 -0.07038 -0.398 -0.3379 -0.607 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J06 mock treatment 0.058 0.046374 0.2417 -0.047 -0.06727 -0.3738 -0.031 -0.05338 -0.3019 -0.2506 -0.4658 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J07 compound treatment 0.032 0.020374 0.1062 0.068 0.04773 0.2652 0.102 0.07962 0.4503 0.4744 0.8896 3558736 ACon1_000825 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(O)OC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J08 compound treatment 0.048 0.036374 0.1896 0.061 0.04073 0.2263 0.071 0.04862 0.275 0.3989 0.9887 3558372 ACon1_000826 CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J09 compound treatment 0.15 0.13837 0.7212 0.079 0.05873 0.3264 -0.15 -0.17238 -0.9748 0.042 0.0335 3558673 ACon1_000827 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(=O)cc(oc3c1OC)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J10 compound treatment 0.093 0.081374 0.4241 0.182 0.16173 0.8988 0.134 0.11162 0.6312 1.1282 0.9583 3553747 ACon1_000828 CC(O)C(C)CC/C=C(\C)/C(O)C/C=C(\C)/C=C/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J11 compound treatment 0.095 0.083374 0.4346 0.301 0.28073 1.5601 0.166 0.14362 0.8122 1.6205 0.8945 3614508 ACon1_000829 COc1cc(oc(=O)c1C)/C(=C/C(C)CCCC(=O)O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J12 compound treatment 0.079 0.067374 0.3512 0.017 -0.00327 -0.0182 -0.076 -0.09838 -0.5564 -0.129 -0.1959 3554483 ACon1_000830 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J13 compound treatment -0.081 -0.092626 -0.4828 0.095 0.07473 0.4153 0.165 0.14262 0.8065 0.4267 0.4152 3559771 ACon1_000831 COc1ccc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J14 compound treatment 0.073 0.061374 0.3199 0.006 -0.01427 -0.0793 0.059 0.03662 0.2071 0.2585 0.664 3557886 ACon1_000832 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J15 compound treatment 0.013 0.0013745 0.0072 -0.103 -0.12327 -0.685 -0.102 -0.12438 -0.7034 -0.7975 -0.8122 3559738 ACon1_000833 COC1=CC(C)c2c(C)c3c(C)coc3c(OC)c2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J16 compound treatment 0.052 0.040374 0.2104 0.006 -0.01427 -0.0793 -0.121 -0.14338 -0.8108 -0.3924 -0.4664 3558192 ACon1_000834 C[C@H]1[C@H]2[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]6O)O[C@@]91CCC(C)CO9 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J17 compound treatment 0.012 3.7448E-4 0.002 0.164 0.14373 0.7987 0.084 0.06162 0.3485 0.6635 0.7613 3558487 ACon1_000835 CC1=C2[C@H](O)C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J18 compound treatment 0.097 0.085374 0.445 -0.04 -0.06027 -0.3349 -0.036 -0.05838 -0.3301 -0.1271 -0.1963 3553097 ACon1_000836 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO[C@H]6OC[C@](O)(CO)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J19 compound treatment 0.135 0.12337 0.6431 -0.079 -0.09927 -0.5517 0.069 0.04662 0.2636 0.205 0.231 3614518 ACon1_000837 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J20 compound treatment 0.006 -0.0056255 -0.0293 0.16 0.13973 0.7765 0.037 0.01462 0.0827 0.4791 0.6131 3558583 ACon1_000838 C/C=C(/C)\C(=O)OC1C(=C)C2CC31CCC4[C@](C)(CCC[C@]4(C)C3CC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J21 mock treatment 0.085 0.073374 0.3824 0.129 0.10873 0.6042 0.059 0.03662 0.2071 0.6892 0.9258 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J22 mock treatment -0.012 -0.023626 -0.1231 -0.039 -0.05927 -0.3294 -0.141 -0.16338 -0.9239 -0.7947 -0.8039 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J23 compound treatment 0.114 0.10237 0.5336 0.101 0.08073 0.4486 0.235 0.21262 1.2024 1.2613 0.9075 3558317 ACon1_000839 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)C5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)c7ccc(=O)oc7)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 J24 compound treatment 0.043 0.031374 0.1635 -0.064 -0.08427 -0.4683 -0.082 -0.10438 -0.5903 -0.5168 -0.6702 3614523 ACon1_000840 COC1C(=O)Nc2ccc3C=CC(C)(CCC=C(C)C)Oc3c2C1(O)c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K01 compound treatment -0.041 -0.052626 -0.2743 -0.012 -0.03227 -0.1793 -0.037 -0.05938 -0.3358 -0.4558 -0.9714 3558362 ACon1_000841 CC(=CCC/C(=C/C(O)C/C(=C/C(O)CC(C)(O)C=C)/C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K02 compound treatment 0.006 -0.0056255 -0.0293 0.087 0.06673 0.3708 0.172 0.14962 0.8461 0.6857 0.7418 3558452 ACon1_000842 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K03 compound treatment 0.101 0.089374 0.4658 0.017 -0.00327 -0.0182 0.047 0.02462 0.1392 0.3388 0.6964 3558557 ACon1_000843 C/C(=C/COc1c(OC2OC(CO)C(O)C(O)C2O)ccc3ccc(=O)oc13)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K04 compound treatment 0.036 0.024374 0.127 0.094 0.07373 0.4097 0.21 0.18762 1.061 0.9225 0.806 3558485 ACon1_000844 CC1[C@H]2C[C@@H]3[C@@H](CC[C@@]3(C)O)C(=C)CC2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K05 compound treatment 0.174 0.16237 0.8463 0.0 -0.02027 -0.1126 0.073 0.05062 0.2863 0.5889 0.6539 3557306 ACon1_000845 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C53CO5)[C@@]2(CO)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K06 compound treatment 0.06 0.048374 0.2521 0.135 0.11473 0.6376 0.196 0.17362 0.9819 1.0805 0.9023 3614529 ACon1_000846 COc1ccc2C(=O)[C@]3(O)[C@@H](COc4cc5OCOc5cc43)Oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K07 mock treatment -0.006 -0.017626 -0.0919 0.089 0.06873 0.3819 -0.04 -0.06238 -0.3528 -0.0362 -0.0686 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K08 mock treatment -0.089 -0.10063 -0.5245 0.06 0.03973 0.2208 -0.058 -0.08038 -0.4546 -0.4378 -0.6011 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K09 compound treatment 0.183 0.17137 0.8932 -0.08 -0.10027 -0.5572 0.042 0.01962 0.111 0.2581 0.2438 3558035 ACon1_000847 CC1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(CO)C(O)CC31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K10 compound treatment 0.203 0.19137 0.9975 -0.234 -0.25427 -1.413 0.035 0.01262 0.0714 -0.1987 -0.1148 3554481 ACon1_000848 CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K11 compound treatment 0.104 0.092374 0.4815 0.006 -0.01427 -0.0793 0.069 0.04662 0.2636 0.3844 0.6931 3614533 ACon1_000849 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K12 compound treatment 0.011 -6.2552E-4 -0.0033 0.105 0.08473 0.4709 -0.048 -0.07038 -0.398 0.0402 0.0652 3558064 ACon1_000850 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K13 compound treatment -0.183 -0.19463 -1.0144 0.114 0.09373 0.5209 0.123 0.10062 0.569 0.0436 0.0342 3558118 ACon1_000851 COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc(O)c3c(=O)cc(oc13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K14 compound treatment -0.045 -0.056626 -0.2951 0.047 0.02673 0.1485 0.098 0.07562 0.4276 0.1623 0.3002 3557898 ACon1_000852 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K15 mock treatment 0.012 3.7448E-4 0.002 0.005 -0.01527 -0.0849 -0.17 -0.19238 -1.0879 -0.676 -0.6195 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K16 mock treatment -0.024 -0.035626 -0.1857 -0.158 -0.17827 -0.9907 -0.201 -0.22338 -1.2633 -1.4085 -0.8716 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K17 compound treatment -0.036 -0.047626 -0.2482 -0.064 -0.08427 -0.4683 0.006 -0.01638 -0.0926 -0.4672 -0.8683 3558293 ACon1_000853 CC(C)c1cc2CCC3C(C)(CO)C[C@H](O)C[C@]3(C)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K18 compound treatment -0.048 -0.059626 -0.3108 -0.068 -0.08827 -0.4905 0.226 0.20362 1.1515 0.2022 0.1568 3558216 ACon1_000854 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(=CC2=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K19 compound treatment 0.013 0.0013745 0.0072 -0.243 -0.26327 -1.463 0.039 0.01662 0.094 -0.7863 -0.5363 3553957 ACon1_000855 CC1C(OC(=O)C)C(OC(=O)C)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K20 compound treatment 0.044 0.032374 0.1687 -0.05 -0.07027 -0.3905 0.103 0.08062 0.4559 0.1352 0.2168 3558262 ACon1_000856 CC(C)C(O)(C(=O)C)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K21 compound treatment 0.095 0.083374 0.4346 0.108 0.08773 0.4875 -0.024 -0.04638 -0.2623 0.3809 0.5413 3558329 ACon1_000857 COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC(O)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K22 compound treatment 0.113 0.10137 0.5284 -0.105 -0.12527 -0.6961 -0.141 -0.16338 -0.9239 -0.6303 -0.4956 3553545 ACon1_000858 CC(C)C(OC(=O)C)c1nc2ccccc2c(=O)n1C3CC4(OC3=O)C5N(O)C(C)(C)C(=O)N5c6ccccc64 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K23 mock treatment 0.159 0.14737 0.7682 -0.006 -0.02627 -0.146 0.101 0.07862 0.4446 0.6159 0.6847 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 K24 mock treatment 0.0 -0.011626 -0.0606 -0.023 -0.04327 -0.2405 0.089 0.06662 0.3767 0.0437 0.0969 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L01 compound treatment 0.019 0.0073745 0.0384 0.17 0.14973 0.8321 0.094 0.07162 0.405 0.7364 0.7951 3552660 ACon1_000859 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L02 compound treatment 0.0 -0.011626 -0.0606 0.185 0.16473 0.9154 0.176 0.15362 0.8688 0.9951 0.7876 3558654 ACon1_000860 COc1cc(/C=C/C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L03 compound treatment 0.169 0.15737 0.8203 0.296 0.27573 1.5323 0.322 0.29962 1.6944 2.3365 0.9626 3558666 ACon1_000861 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(=C)[C@H]1CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L04 compound treatment 1.101 1.0894 5.416 0.687 0.66673 3.7051 -0.032 -0.05438 -0.3075 5.0885 0.7746 3559920 ACon1_000862 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L05 compound treatment -0.061 -0.072626 -0.3785 0.063 0.04273 0.2375 0.055 0.03262 0.1845 0.0251 0.0518 3558706 ACon1_000863 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L06 compound treatment -0.084 -0.095626 -0.4984 0.177 0.15673 0.871 0.181 0.15862 0.897 0.733 0.5446 3558287 ACon1_000864 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%111CCC(C)CO%11 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L07 mock treatment 0.096 0.084374 0.4398 0.039 0.01873 0.1041 0.047 0.02462 0.1392 0.3944 0.834 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L08 mock treatment -0.012 -0.023626 -0.1231 -0.175 -0.19527 -1.0851 -0.037 -0.05938 -0.3358 -0.8915 -0.7802 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L09 compound treatment 0.025 0.013374 0.0697 -0.012 -0.03227 -0.1793 0.07 0.04762 0.2693 0.0922 0.2786 3552042 ACon1_000865 C/C=C(\C)/CC(/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)/C=C/C(O)C/C=C/C(O)C(O)C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L10 compound treatment 0.465 0.45337 2.3631 0.404 0.38373 2.1324 0.268 0.24562 1.389 3.3975 0.9783 3558492 ACon1_000866 COc1cc(CC2COC(C2COC(=O)C)c3ccc(O)c(OC)c3)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L11 compound treatment 0.011 -6.2552E-4 -0.0033 0.28 0.25973 1.4434 0.139 0.11662 0.6595 1.2122 0.7639 3614544 ACon1_000867 CC1CCC/C=C/2\C3C(OC(=C3C(=O)O1)\C=C\C=C\C=C\C(=O)O)C=CC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L12 compound treatment 0.089 0.077374 0.4033 0.135 0.11473 0.6376 -0.006 -0.02838 -0.1605 0.5083 0.659 3554712 ACon1_000868 COC(=O)c1cc(OC)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L13 compound treatment 0.026 0.014374 0.0749 0.295 0.27473 1.5267 0.182 0.15962 0.9027 1.4459 0.8145 3559773 ACon1_000869 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L14 compound treatment 0.031 0.019374 0.101 0.096 0.07573 0.4208 0.213 0.19062 1.078 0.9237 0.7951 3558463 ACon1_000870 CC(C)c1cc2C3OC(=O)[C@@]4(CCCC(C)(C)C4[C@H]3O)c2c(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L15 mock treatment 0.041 0.029374 0.1531 0.012 -0.00827 -0.046 -0.091 -0.11338 -0.6412 -0.3083 -0.4666 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L16 mock treatment 0.225 0.21337 1.1122 0.287 0.26673 1.4823 -0.051 -0.07338 -0.415 1.2583 0.6626 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L17 compound treatment 0.39 0.37837 1.9722 -0.024 -0.04427 -0.246 0.09 0.06762 0.3824 1.2174 0.6015 3555854 ACon1_000871 OC(=O)CCC1OC(=O)C(=C1c2ccccc2)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L18 compound treatment 0.0 -0.011626 -0.0606 0.053 0.03273 0.1819 0.228 0.20562 1.1628 0.7414 0.6291 3553101 ACon1_000872 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L19 compound treatment 0.041 0.029374 0.1531 -0.056 -0.07627 -0.4238 0.137 0.11462 0.6482 0.2179 0.276 3614554 ACon1_000873 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L20 compound treatment 0.086 0.074374 0.3877 0.006 -0.01427 -0.0793 0.074 0.05162 0.2919 0.3466 0.7048 3558638 ACon1_000874 C/C=C(/C)\C(=O)O[C@H]\1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC/C=C1\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L21 compound treatment -0.119 -0.13063 -0.6809 0.006 -0.01427 -0.0793 -0.041 -0.06338 -0.3584 -0.6458 -0.8349 3554505 ACon1_000875 CO[C@@H]1C[C@]2(CC=C)[C@@H](C)[C@@H](OC2=C(OC)C1=O)c3cc4OCOc4c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L22 compound treatment 0.446 0.43437 2.2641 0.549 0.52873 2.9382 0.208 0.18562 1.0497 3.6096 0.9363 3558750 ACon1_000876 CC(=CCCC(=CCCC(=CC1C(O)C=C(C)C1=O)C)C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L23 mock treatment 0.105 0.093374 0.4867 0.104 0.08373 0.4653 0.225 0.20262 1.1459 1.2112 0.9113 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 L24 mock treatment 0.039 0.027374 0.1427 0.095 0.07473 0.4153 0.037 0.01462 0.0827 0.3699 0.8278 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M01 compound treatment -0.02 -0.031626 -0.1648 0.035 0.01473 0.0819 0.091 0.06862 0.3881 0.1761 0.4101 2112282 ACon1_000877 CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M02 compound treatment 0.209 0.19737 1.0288 0.0 -0.02027 -0.1126 -0.014 -0.03638 -0.2057 0.4101 0.3887 3558453 ACon1_000878 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M03 compound treatment 0.061 0.049374 0.2574 -0.025 -0.04527 -0.2516 -0.098 -0.12038 -0.6808 -0.3897 -0.5061 3558587 ACon1_000879 COc1cc(C[C@@H]2COC([C@@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M04 compound treatment -0.063 -0.074626 -0.389 0.215 0.19473 1.0821 0.007 -0.01538 -0.087 0.35 0.3035 3554680 ACon1_000880 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OCC(C3CCC(C)C3C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M05 compound treatment 0.087 0.075374 0.3929 -0.006 -0.02627 -0.146 0.169 0.14662 0.8292 0.6213 0.6687 3553941 ACon1_000881 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C43CO4)[C@@]2(CO)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M06 compound treatment -0.085 -0.096626 -0.5036 -0.166 -0.18627 -1.0351 -0.072 -0.09438 -0.5337 -1.1966 -0.943 3559292 ACon1_000882 CO[C@H]1C[C@@H](Oc2c(CC=C(C)C)c(OC)cc(OC)c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M07 compound treatment 0.02 0.0083745 0.0436 0.0 -0.02027 -0.1126 0.075 0.05262 0.2976 0.132 0.4109 3557952 ACon1_000883 COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M08 compound treatment -0.011 -0.022626 -0.1179 0.038 0.01773 0.0985 0.217 0.19462 1.1006 0.6242 0.5617 3554197 ACon1_000884 CCC1(C)C(O)C2=COC(=C(C)C2=CC1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M09 mock treatment -0.029 -0.040626 -0.2117 -0.134 -0.15427 -0.8573 0.006 -0.01638 -0.0926 -0.6707 -0.7554 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M10 mock treatment 0.172 0.16037 0.8359 0.109 0.08873 0.4931 0.156 0.13362 0.7556 1.2036 0.9785 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M11 compound treatment -0.087 -0.098626 -0.5141 0.044 0.02373 0.1319 -0.023 -0.04538 -0.2566 -0.3688 -0.6257 3553758 ACon1_000885 CC(O)CCCC1Cc2cccc(O)c2C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M12 compound treatment 0.122 0.11037 0.5753 0.199 0.17873 0.9932 0.184 0.16162 0.914 1.4333 0.9768 3554988 ACon1_000886 COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M13 mock treatment 0.122 0.11037 0.5753 0.036 0.01573 0.0874 -0.039 -0.06138 -0.3471 0.1822 0.2689 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M14 mock treatment 0.0 -0.011626 -0.0606 -0.043 -0.06327 -0.3516 1.331 1.3086 6.3911 3.4519 0.5393 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M15 compound treatment 0.013 0.0013745 0.0072 0.0 -0.02027 -0.1126 -0.033 -0.05538 -0.3132 -0.2417 -0.7261 3614568 ACon1_000887 CC1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CC(=O)OC4C)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M16 compound treatment -0.042 -0.053626 -0.2795 0.187 0.16673 0.9265 0.05 0.02762 0.1562 0.4637 0.4731 3557904 ACon1_000888 Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)C[C@H](O)[C@H]2O)occc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M17 compound treatment -0.026 -0.037626 -0.1961 0.012 -0.00827 -0.046 0.116 0.09362 0.5294 0.1659 0.2929 3554555 ACon1_000889 COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC(OC(=O)C)C3=C2CC(OC(=O)C)[C@](C)(C=C)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M18 compound treatment -0.072 -0.083626 -0.4359 -0.196 -0.21627 -1.2018 -0.079 -0.10138 -0.5733 -1.2765 -0.9111 3557955 ACon1_000890 CC(O)CCCCCCCCCC(Cc1cc(O)cc(O)c1)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M19 compound treatment 0.059 0.047374 0.2469 0.006 -0.01427 -0.0793 0.123 0.10062 0.569 0.4253 0.6801 3558411 ACon1_000891 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M20 compound treatment -0.203 -0.21463 -1.1187 0.078 0.05773 0.3208 0.088 0.06562 0.3711 -0.2464 -0.2017 3554267 ACon1_000892 CCCCCC(O)C1OC(=O)CCC(O)C(O)/C=C/C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M21 compound treatment 0.063 0.051374 0.2678 0.012 -0.00827 -0.046 0.093 0.07062 0.3994 0.3586 0.7425 3558351 ACon1_000893 Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M22 compound treatment 0.101 0.089374 0.4658 0.107 0.08673 0.482 0.166 0.14362 0.8122 1.0161 0.9649 3552748 ACon1_000894 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](Oc4ccc5c(=O)c(coc5c4)c6ccc(O)cc6)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M23 compound treatment -0.032 -0.043626 -0.2274 0.069 0.04873 0.2708 -0.05 -0.07238 -0.4093 -0.2113 -0.3906 3558422 ACon1_000895 CC(=O)OC1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 M24 compound treatment 0.172 0.16037 0.8359 0.06 0.03973 0.2208 0.329 0.30662 1.734 1.6112 0.8316 3558504 ACon1_000896 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3[C@@H](C[C@H](O)C3=C)C(=C)C[C@@H]2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N01 compound treatment 0.154 0.14237 0.7421 0.045 0.02473 0.1374 0.051 0.02862 0.1619 0.6012 0.7789 3555900 ACon1_000897 OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(=O)cc(c4ccc(O)c(O)c4)c23)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N02 compound treatment -0.108 -0.11963 -0.6235 -0.013 -0.03327 -0.1849 0.033 0.01062 0.0601 -0.4321 -0.6615 3614577 ACon1_000898 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N03 compound treatment 0.132 0.12037 0.6274 -0.061 -0.08127 -0.4516 0.007 -0.01538 -0.087 0.0513 0.0659 3558675 ACon1_000899 COc1ccccc1c2cc(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c(OC)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N04 compound treatment 0.792 0.78037 4.0675 1.543 1.5227 6.7254 1.179 1.1566 6.025 9.7098 0.9805 3559922 ACon1_000900 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N05 compound treatment -0.09 -0.10163 -0.5297 0.085 0.06473 0.3597 0.145 0.12262 0.6934 0.3022 0.3202 3614580 ACon1_000901 CC1=CCC2C(C)(CO)CCCC2(C)C1CC34OC4C(O)C(=CC3O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N06 compound treatment 0.048 0.036374 0.1896 0.137 0.11673 0.6487 -0.12 -0.14238 -0.8052 0.0191 0.0182 3558417 ACon1_000902 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)\C=C\c7ccc(OC)cc7)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N07 compound treatment 0.006 -0.0056255 -0.0293 0.063 0.04273 0.2375 0.056 0.03362 0.1901 0.2299 0.7524 3557311 ACon1_000903 CC(C)CCC(O)C1CC(CO)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N08 compound treatment 0.042 0.030374 0.1583 -0.041 -0.06127 -0.3405 -0.024 -0.04638 -0.2623 -0.2566 -0.5602 3558683 ACon1_000904 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N09 mock treatment 0.03 0.018374 0.0958 0.079 0.05873 0.3264 0.061 0.03862 0.2184 0.3698 0.9149 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N10 mock treatment -0.099 -0.11063 -0.5766 -0.026 -0.04627 -0.2571 -0.192 -0.21438 -1.2124 -1.1813 -0.8642 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N11 compound treatment 2.052 2.0404 7.1045 43.622 43.602 12.5847 2.203 2.1806 7.8685 15.9104 0.9669 3614587 ACon1_000905 CC1CCC/C=C/C/C=C\C(OC(=O)/C=C\C=C\C=C\C(=O)O)/C=C/C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N12 compound treatment 0.043 0.031374 0.1635 -0.012 -0.03227 -0.1793 0.06 0.03762 0.2127 0.1137 0.3523 3558740 ACon1_000906 COc1ccc(cc1)c2oc3cc(OC)cc(O)c3c(=O)c2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N13 mock treatment -0.099 -0.11063 -0.5766 -0.006 -0.02627 -0.146 -0.026 -0.04838 -0.2736 -0.5752 -0.8785 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N14 mock treatment -0.096 -0.10763 -0.561 -0.055 -0.07527 -0.4183 -0.04 -0.06238 -0.3528 -0.769 -0.9814 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N15 compound treatment 0.089 0.077374 0.4033 0.007 -0.01327 -0.0737 0.062 0.03962 0.2241 0.3196 0.6841 3559368 ACon1_000907 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(CO)C5CCC43C)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N16 compound treatment 0.16 0.14837 0.7734 0.319 0.29873 1.6601 0.274 0.25162 1.423 2.2265 0.96 3552752 ACon1_000908 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N17 compound treatment 0.037 0.025374 0.1323 0.065 0.04473 0.2486 0.184 0.16162 0.914 0.7476 0.7817 3553640 ACon1_000909 CC(C)Cc1cnc(CCC(=O)N)c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N18 compound treatment 0.0 -0.011626 -0.0606 0.198 0.17773 0.9877 0.323 0.30062 1.7001 1.5168 0.7711 3558595 ACon1_000910 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N19 compound treatment 0.0 -0.011626 -0.0606 0.118 0.09773 0.5431 0.25 0.22762 1.2872 1.0218 0.7306 3614597 ACon1_000911 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(OC(=O)C)C2CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N20 compound treatment 0.143 0.13137 0.6848 -0.222 -0.24227 -1.3463 -0.181 -0.20338 -1.1502 -1.046 -0.551 3558712 ACon1_000912 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(COC(=O)C(C)C)C(O)C1)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N21 compound treatment 0.248 0.23637 1.232 0.17 0.14973 0.8321 0.255 0.23262 1.3155 1.9512 0.9829 3614600 ACon1_000913 CC(CCO)/C=C(\C)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N22 compound treatment 0.025 0.013374 0.0697 0.059 0.03873 0.2152 0.013 -0.0093798 -0.053 0.1339 0.5762 3559260 ACon1_000914 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N23 compound treatment 0.09 0.078374 0.4085 0.111 0.09073 0.5042 0.233 0.21062 1.1911 1.2146 0.8955 3558089 ACon1_000915 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](O)[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)[C@H](C)O)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 N24 compound treatment -0.139 -0.15063 -0.7851 0.043 0.02273 0.1263 -0.006 -0.02838 -0.1605 -0.473 -0.5831 3557301 ACon1_000916 CC(OC(=O)c1cccc(O)c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O01 compound treatment 0.231 0.21937 1.1434 0.0 -0.02027 -0.1126 0.019 -0.0033798 -0.0191 0.5841 0.5083 3557296 ACon1_000917 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O02 compound treatment -0.033 -0.044626 -0.2326 -0.115 -0.13527 -0.7517 -0.023 -0.04538 -0.2566 -0.7165 -0.8656 3497202 ACon1_000918 CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)CCCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O03 compound treatment -0.035 -0.046626 -0.243 0.006 -0.01427 -0.0793 -0.045 -0.06738 -0.381 -0.4061 -0.885 3558589 ACon1_000919 CSC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O04 compound treatment 0.3 0.28837 1.5031 0.705 0.68473 3.8052 1.259 1.2366 6.2233 6.6577 0.8939 3558219 ACon1_000920 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC/C(=C/CO)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O05 compound treatment 0.072 0.060374 0.3147 0.286 0.26573 1.4767 0.085 0.06262 0.3541 1.2387 0.7987 1045397 ACon1_000921 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O06 compound treatment -0.058 -0.069626 -0.3629 0.072 0.05173 0.2875 0.119 0.09662 0.5464 0.2719 0.3797 1046376 ACon1_000922 COc1c(O)c2c(=O)cc(oc2c(OC)c1OC)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O07 compound treatment 0.152 0.14037 0.7317 -0.228 -0.24827 -1.3797 0.133 0.11062 0.6256 -0.013 -0.0077 3557981 ACon1_000923 OC[C@H]1O[C@@H](OC2OC=C(C3CCC(=C)C32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O08 compound treatment -0.082 -0.093626 -0.488 -0.103 -0.12327 -0.685 -0.043 -0.06538 -0.3697 -0.8907 -0.9695 3554706 ACon1_000924 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O09 compound treatment -0.065 -0.076626 -0.3994 -0.023 -0.04327 -0.2405 -0.023 -0.04538 -0.2566 -0.5176 -0.9726 3551984 ACon1_000925 C/C(=C\OC(=O)/C=C/c1ccc(O)cc1)/C(O)C2OC(=O)/C(=C\COC3OC(CO)C(O)C(O)C3O)/C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O10 compound treatment -0.096 -0.10763 -0.561 -0.035 -0.05527 -0.3071 0.03 0.0076202 0.0431 -0.4763 -0.7431 3558809 ACon1_000926 CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O11 mock treatment -0.076 -0.087626 -0.4567 0.085 0.06473 0.3597 0.083 0.06062 0.3428 0.1419 0.2103 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O12 mock treatment 0.035 0.023374 0.1218 -0.082 -0.10227 -0.5683 0.108 0.08562 0.4842 0.0218 0.0288 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O13 compound treatment 0.178 0.16637 0.8672 -0.055 -0.07527 -0.4183 -0.026 -0.04838 -0.2736 0.1012 0.1011 3553125 ACon1_000927 C[C@H]1CC(O)C23COC(=O)[C@@H]3CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O14 compound treatment 0.027 0.015374 0.0801 -0.007 -0.02727 -0.1515 0.116 0.09362 0.5294 0.2644 0.4752 3557917 ACon1_000928 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2C34COC(=O)c5ccccc5)O[C@@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O15 compound treatment 0.012 3.7448E-4 0.002 -0.024 -0.04427 -0.246 0.107 0.08462 0.4785 0.1354 0.2516 3555917 ACon1_000929 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3oc4c(O)c(O)ccc4c(=O)c3c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O16 compound treatment 0.0 -0.011626 -0.0606 0.071 0.05073 0.2819 0.28 0.25762 1.4569 0.9689 0.6524 3557831 ACon1_000930 CC1OC(OC2C(O)C(O)C(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)c(O)c5)OC2CO)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O17 compound treatment -0.175 -0.18663 -0.9727 0.138 0.11773 0.6542 0.183 0.16062 0.9083 0.3405 0.2296 3557287 ACon1_000931 CCCC1CCC(C(=C)C(=O)O)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O18 compound treatment -0.091 -0.10263 -0.5349 0.018 -0.00227 -0.0126 0.266 0.24362 1.3777 0.4793 0.3243 3558352 ACon1_000932 C[C@]12C[C@H](OC(=O)C(=C)C(O)CO)[C@@H]3[C@H](OC(=O)C3=C)C2C(CC[C@H]1O)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O19 compound treatment 0.171 0.15937 0.8307 0.081 0.06073 0.3375 0.199 0.17662 0.9988 1.2511 0.9321 1062453 ACon1_000933 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O20 compound treatment -0.122 -0.13363 -0.6965 -0.088 -0.10827 -0.6017 0.056 0.03362 0.1901 -0.6397 -0.6807 3557279 ACon1_000934 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3cc(OC)cc(OC)c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O21 compound treatment 0.045 0.033374 0.174 0.034 0.01373 0.0763 -0.071 -0.09338 -0.5281 -0.1604 -0.2858 3558330 ACon1_000935 CC(C)(O)C1Cc2cc(CCc3cc(O)cc(O)c3)ccc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O22 compound treatment -0.087 -0.098626 -0.5141 -0.062 -0.08227 -0.4572 0.052 0.02962 0.1675 -0.464 -0.6554 3553357 ACon1_000936 CC(=O)OC/C/1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O23 compound treatment 0.045 0.033374 0.174 0.094 0.07373 0.4097 0.031 0.0086202 0.0487 0.3651 0.8154 3558425 ACon1_000937 COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 O24 compound treatment 0.036 0.024374 0.127 0.121 0.10073 0.5598 0.11 0.08762 0.4955 0.6826 0.9002 3555971 ACon1_000938 OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P01 compound treatment -0.027 -0.038626 -0.2013 0.063 0.04273 0.2375 0.026 0.0036202 0.0205 0.0327 0.1048 3558656 ACon1_000939 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)/C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P02 compound treatment 0.126 0.11437 0.5961 -0.13 -0.15027 -0.8351 0.107 0.08462 0.4785 0.1383 0.1222 3558684 ACon1_000940 CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P03 compound treatment -0.019 -0.030626 -0.1596 0.136 0.11573 0.6431 -0.04 -0.06238 -0.3528 0.0755 0.1005 3558685 ACon1_000941 CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P04 compound treatment 0.105 0.093374 0.4867 0.0 -0.02027 -0.1126 0.146 0.12362 0.6991 0.6196 0.7211 3554701 ACon1_000942 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P05 compound treatment 0.1 0.088374 0.4606 0.119 0.09873 0.5487 0.012 -0.01038 -0.0587 0.5488 0.7635 3614622 ACon1_000943 CC1=CCC2C(C)(CCCC2(C)C1CC34OC4C(O)C(=C)C(O)C3O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P06 compound treatment 0.125 0.11337 0.5909 0.118 0.09773 0.5431 0.234 0.21162 1.1968 1.3457 0.9339 3558470 ACon1_000944 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P07 compound treatment 0.275 0.26337 1.3728 0.065 0.04473 0.2486 0.327 0.30462 1.7227 1.9307 0.871 3553189 ACon1_000945 CC(=CCC/C(=C\CC\C(=C\CC\C(=C\CO)\CO)\C)/C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P08 compound treatment 0.108 0.096374 0.5023 -0.036 -0.05627 -0.3127 0.013 -0.0093798 -0.053 0.0789 0.1327 3554753 ACon1_000946 COc1c(C)cc(C(=O)/C=C/c2ccccc2)c(O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P09 compound treatment -0.019 -0.030626 -0.1596 0.066 0.04573 0.2541 -0.048 -0.07038 -0.398 -0.1752 -0.3515 3552709 ACon1_000947 C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)/C=C/C(=C/Cc2c(O)c(Cl)c(C)c(C=O)c2O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P10 compound treatment 0.061 0.049374 0.2574 -0.091 -0.11127 -0.6183 0.07 0.04762 0.2693 -0.0529 -0.0733 3558180 ACon1_000948 COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc21)c3ccc(OC)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P11 mock treatment 0.041 0.029374 0.1531 -0.073 -0.09327 -0.5183 -0.077 -0.09938 -0.562 -0.5353 -0.6866 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P12 mock treatment 0.011 -6.2552E-4 -0.0033 0.005 -0.01527 -0.0849 0.147 0.12462 0.7048 0.356 0.5015 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P13 compound treatment -0.048 -0.059626 -0.3108 0.103 0.08273 0.4597 -0.026 -0.04838 -0.2736 -0.072 -0.1163 3553333 ACon1_000949 CC(=O)O[C@@H]1C[C@](C)(C=C)C=C2[C@H](O)CC3C(C)(C)CC[C@@H](OC(=O)C)[C@]3(C)C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P14 compound treatment -0.019 -0.030626 -0.1596 0.063 0.04273 0.2375 0.077 0.05462 0.3089 0.2233 0.5303 3558552 ACon1_000950 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P15 compound treatment -0.078 -0.089626 -0.4671 0.168 0.14773 0.821 0.024 0.0016202 0.0092 0.2096 0.2219 3559386 ACon1_000951 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P16 compound treatment 0.147 0.13537 0.7056 0.096 0.07573 0.4208 0.135 0.11262 0.6369 1.0181 0.9794 3558472 ACon1_000952 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P17 compound treatment -0.025 -0.036626 -0.1909 0.126 0.10573 0.5876 0.102 0.07962 0.4503 0.489 0.6396 3558567 ACon1_000953 CC1=C(CCC2=CC(=O)OC2O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P18 compound treatment 0.009 -0.0026255 -0.0137 0.189 0.16873 0.9377 0.107 0.08462 0.4785 0.8097 0.7691 3558599 ACon1_000954 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(O[C@H]7OC[C@](O)(CO)[C@H]7O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P19 compound treatment 0.06 0.048374 0.2521 0.084 0.06373 0.3542 0.059 0.03662 0.2071 0.4696 0.9752 3614634 ACon1_000955 CC(C)C1NC(=O)C(CC2(O)C3NC(Cc4ccccc4)C(=O)N3c5ccccc52)NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P20 compound treatment 0.025 0.013374 0.0697 0.006 -0.01427 -0.0793 0.234 0.21162 1.1968 0.6854 0.5705 3551644 ACon1_000956 CC1Oc2c3C=CC(C)(C)Oc3c4c(cc(=O)oc4c2C(=O)C1C)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P21 compound treatment 0.026 0.014374 0.0749 -0.101 -0.12127 -0.6739 0.137 0.11462 0.6482 0.0284 0.0303 3554485 ACon1_000957 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P22 compound treatment 0.053 0.041374 0.2157 0.117 0.09673 0.5375 0.243 0.22062 1.2476 1.1552 0.8398 3554963 ACon1_000958 COc1cc(O)c(C(=O)O)c(c1)c2c(C)cc(oc2=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P23 compound treatment 0.056 0.044374 0.2313 0.106 0.08573 0.4764 0.18 0.15762 0.8914 0.9232 0.8904 3558309 ACon1_000959 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2292 P24 compound treatment 0.0 -0.011626 -0.0606 0.134 0.11373 0.632 0.192 0.16962 0.9592 0.8837 0.7682 3557994 ACon1_000960 C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)C)[C@@]3(COC(=O)C)[C@H](C[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@]13OC4(C)C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A01 compound treatment 0.0 -0.011626 -0.0606 -0.014 -0.03427 -0.1904 0.053 0.03062 0.1732 -0.045 -0.17 3554483 ACon1_000961 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A02 compound treatment 0.152 0.14037 0.7317 0.079 0.05873 0.3264 0.129 0.10662 0.603 0.959 0.9564 3554004 ACon1_000962 CC1CC23OC3(/C=C(/C)\C(O)C(O)C4C(C(O)C(C)C2=O)C4(C)C)C1OC5OC(CO)C(O)C(O)C5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A03 compound treatment 0.195 0.18337 0.9558 -0.11 -0.13027 -0.7239 0.101 0.07862 0.4446 0.3906 0.3054 3614644 ACon1_000963 CC(C)CC1NC(=O)C23C1C(=CC(O)C3/C=C/CCC4OC4(C)C(O)CC2=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A04 compound treatment -0.048 -0.059626 -0.3108 0.013 -0.00727 -0.0404 0.056 0.03362 0.1901 -0.093 -0.2537 3558783 ACon1_000964 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A05 compound treatment 0.019 0.0073745 0.0384 0.044 0.02373 0.1319 0.134 0.11162 0.6312 0.4628 0.7164 3553738 ACon1_000965 CC(O)(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C(=O)O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A06 compound treatment 0.006 -0.0056255 -0.0293 -0.118 -0.13827 -0.7684 0.123 0.10062 0.569 -0.132 -0.138 3558578 ACon1_000966 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A07 compound treatment 0.0 -0.011626 -0.0606 0.081 0.06073 0.3375 0.264 0.24162 1.3664 0.9488 0.6735 3558828 ACon1_000967 C/C/1=C\CCC2=CC(OC2=O)C(C)(C)/C=C\C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A08 compound treatment -0.233 -0.24463 -1.275 -0.135 -0.15527 -0.8629 0.035 0.01262 0.0714 -1.1931 -0.7741 3554998 ACon1_000968 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CCC45OC56CC=C(C7=CC(=O)OC7)[C@@]6(C)CCC43)C2)OC(C)C1O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A09 compound treatment 0.031 0.019374 0.101 0.055 0.03473 0.193 0.006 -0.01638 -0.0926 0.1163 0.4911 3558621 ACon1_000969 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A10 compound treatment 0.052 0.040374 0.2104 -0.098 -0.11827 -0.6572 -0.051 -0.07338 -0.415 -0.4975 -0.6179 3558846 ACon1_000970 C/C(=C\CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)C4CC3)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A11 compound treatment 0.006 -0.0056255 -0.0293 0.316 0.29573 1.6434 0.006 -0.01638 -0.0926 0.8784 0.5336 3614654 ACon1_000971 CC(O)CC(=O)c1cc(O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A12 compound treatment 0.0 -0.011626 -0.0606 0.094 0.07373 0.4097 0.115 0.09262 0.5238 0.504 0.7547 3553484 ACon1_000972 CC(C)(OO)C1=C[C@]23CCC4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A13 mock treatment 0.116 0.10437 0.544 -0.039 -0.05927 -0.3294 0.0 -0.02238 -0.1266 0.0509 0.0784 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A14 mock treatment -0.035 -0.046626 -0.243 0.094 0.07373 0.4097 0.007 -0.01538 -0.087 0.046 0.0951 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A15 compound treatment 0.072 0.060374 0.3147 -0.066 -0.08627 -0.4794 0.045 0.02262 0.1279 -0.0213 -0.0362 3558823 ACon1_000973 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(O)C(O)C7O)OC=CC46O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A16 compound treatment -0.011 -0.022626 -0.1179 0.191 0.17073 0.9488 0.12 0.09762 0.5521 0.7984 0.7232 3558930 ACon1_000974 OC1CCC(O)C(O)(C1O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A17 compound treatment 0.137 0.12537 0.6535 -0.024 -0.04427 -0.246 0.173 0.15062 0.8518 0.727 0.6601 3558444 ACon1_000975 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A18 compound treatment 0.057 0.045374 0.2365 -0.012 -0.03227 -0.1793 -0.164 -0.18638 -1.054 -0.5755 -0.5256 3558953 ACon1_000976 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A19 compound treatment 0.248 0.23637 1.232 0.025 0.00473 0.0263 -0.055 -0.07738 -0.4376 0.4738 0.3623 1113957 ACon1_000977 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A20 compound treatment -0.279 -0.29063 -1.5148 0.091 0.07073 0.3931 5.725 5.7026 10.1748 5.2268 0.5077 3558990 ACon1_000978 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A21 compound treatment -0.048 -0.059626 -0.3108 0.048 0.02773 0.1541 0.0 -0.02238 -0.1266 -0.1635 -0.4429 3558623 ACon1_000979 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A22 compound treatment 0.025 0.013374 0.0697 0.018 -0.00227 -0.0126 0.076 0.05362 0.3032 0.208 0.6681 3558955 ACon1_000980 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A23 compound treatment 0.019 0.0073745 0.0384 0.115 0.09473 0.5264 0.068 0.04562 0.258 0.4751 0.8086 3554993 ACon1_000981 COc1cc(O)cc(c1)C2=C(C)CC(O)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 A24 compound treatment 0.051 0.039374 0.2052 0.196 0.17573 0.9766 0.145 0.12262 0.6934 1.0827 0.891 3552069 ACon1_000982 C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C3C(=C(O)C4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@@]52O)C(=O)\C=C\C=C\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B01 compound treatment -0.107 -0.11863 -0.6183 -0.048 -0.06827 -0.3794 0.098 0.07562 0.4276 -0.3291 -0.3908 3558240 ACon1_000983 C[C@@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B02 compound treatment -0.086 -0.097626 -0.5088 -0.062 -0.08227 -0.4572 -0.007 -0.02938 -0.1661 -0.6537 -0.9286 3554879 ACon1_000984 COc1cc(ccc1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)cc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B03 compound treatment -0.038 -0.049626 -0.2587 0.178 0.15773 0.8765 0.169 0.14662 0.8292 0.8354 0.677 3559896 ACon1_000985 COc1ccc(cc1OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B04 compound treatment 0.136 0.12437 0.6483 0.203 0.18273 1.0155 -0.102 -0.12438 -0.7034 0.5545 0.3974 2060503 ACon1_000986 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B05 compound treatment 0.067 0.055374 0.2886 -0.012 -0.03227 -0.1793 0.053 0.03062 0.1732 0.1631 0.4276 3557603 ACon1_000987 CC1(CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B06 compound treatment 0.151 0.13937 0.7265 0.012 -0.00827 -0.046 0.314 0.29162 1.6492 1.345 0.7461 3559134 ACon1_000988 Oc1ccc(cc1O)C2CC(=O)c3ccc(O)c(O)c3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B07 compound treatment -0.02 -0.031626 -0.1648 0.033 0.01273 0.0707 -0.058 -0.08038 -0.4546 -0.3168 -0.6482 3558984 ACon1_000989 C/C(=C\CCC1(C)C2CC3C(C2)C31C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B08 compound treatment 0.185 0.17337 0.9037 -0.029 -0.04927 -0.2738 -0.103 -0.12538 -0.709 -0.0457 -0.0387 3559662 ACon1_000990 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B09 compound treatment -0.061 -0.072626 -0.3785 -0.205 -0.22527 -1.2519 -0.026 -0.04838 -0.2736 -1.0993 -0.8227 3554161 ACon1_000991 CCC(C)CC(C)/C=C(\C)/[C@H]1OC2=C([C@@H](O)[C@@H]1O)C(=C)N(OC)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B10 compound treatment -0.075 -0.086626 -0.4515 0.356 0.33573 1.8657 0.255 0.23262 1.3155 1.576 0.6772 3558358 ACon1_000992 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B11 compound treatment 0.045 0.033374 0.174 0.219 0.19873 1.1044 0.057 0.03462 0.1958 0.8511 0.7498 3558976 ACon1_000993 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B12 compound treatment -0.085 -0.096626 -0.5036 0.064 0.04373 0.243 0.139 0.11662 0.6595 0.2303 0.2663 2102488 ACon1_000994 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B13 mock treatment 0.108 0.096374 0.5023 -0.014 -0.03427 -0.1904 -0.041 -0.06338 -0.3584 -0.0269 -0.0416 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B14 mock treatment 0.137 0.12537 0.6535 -0.134 -0.15427 -0.8573 0.105 0.08262 0.4672 0.1521 0.1294 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B15 compound treatment 0.056 0.044374 0.2313 0.034 0.01373 0.0763 0.14 0.11762 0.6652 0.5616 0.7929 3559076 ACon1_000995 CC1C2C(CC3C4CC=C5C[C@@H](O)CC(O)[C@]5(C)C4CC[C@]23C)OC61CCC(C)CO6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B16 compound treatment -0.054 -0.065626 -0.3421 0.289 0.26873 1.4934 0.154 0.13162 0.7443 1.0945 0.6426 3558644 ACon1_000996 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(cc(=O)oc3c1)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B17 compound treatment 0.125 0.11337 0.5909 0.115 0.09473 0.5264 0.248 0.22562 1.2759 1.3818 0.9203 3559113 ACon1_000997 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)c3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B18 compound treatment 0.143 0.13137 0.6848 0.126 0.10573 0.5876 0.241 0.21862 1.2363 1.4484 0.9463 3559079 ACon1_000998 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(C=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B19 compound treatment 0.047 0.035374 0.1844 -0.006 -0.02627 -0.146 0.155 0.13262 0.75 0.4552 0.5791 3558382 ACon1_000999 C[C@@H]1OC(O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCCc4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B20 compound treatment 0.053 0.041374 0.2157 -0.071 -0.09127 -0.5072 -0.131 -0.15338 -0.8674 -0.6691 -0.6511 3559123 ACon1_001000 O[C@@]12CO[C@@H]([C@H]2CO[C@@H]1c3ccc4OCOc4c3)c5ccc6OCOc6c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B21 compound treatment 0.068 0.056374 0.2938 0.094 0.07373 0.4097 0.149 0.12662 0.7161 0.8196 0.9359 3559488 ACon1_001001 C/C=C(\COC(=O)C)/C(=O)O[C@@H]1CC2(C)OC(=CC2=O)\C(=C/[C@@H]3OC(=O)C(=C)C31)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B22 compound treatment -0.102 -0.11363 -0.5922 0.05 0.02973 0.1652 -0.089 -0.11138 -0.6299 -0.6102 -0.6932 3553151 ACon1_001002 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B23 compound treatment 0.032 0.020374 0.1062 -0.172 -0.19227 -1.0685 -0.037 -0.05938 -0.3358 -0.7494 -0.6662 3552728 ACon1_001003 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC(=CCO)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 B24 compound treatment 0.0 -0.011626 -0.0606 0.056 0.03573 0.1986 0.019 -0.0033798 -0.0191 0.0686 0.3291 329 ACon1_001004 CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C01 compound treatment -0.013 -0.024626 -0.1284 -0.129 -0.14927 -0.8295 0.122 0.09962 0.5634 -0.2278 -0.2253 3614681 ACon1_001005 CO[C@H]1C(=O)Nc2ccc(/C=C/C(=C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C02 compound treatment 0.0 -0.011626 -0.0606 -0.185 -0.20527 -1.1407 0.113 0.09062 0.5125 -0.3977 -0.3176 3558734 ACon1_001006 CC1(C)C2CC[C@]3(CC4CC[C@H]3[C@]2(C)CCC1=O)C[C@@]4(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C03 compound treatment 0.109 0.097374 0.5075 0.018 -0.00227 -0.0126 0.057 0.03462 0.1958 0.3988 0.7329 3553883 ACon1_001007 CC1(C)Oc2c(CCO)c3occ(c4ccc(O)c(O)c4)c(=O)c3c(O)c2C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C04 compound treatment 0.041 0.029374 0.1531 0.1 0.07973 0.4431 0.08 0.05762 0.3259 0.5323 0.9324 3555922 ACon1_001008 OC1C(O)C(COC(=O)CC2(O)C=CC(=O)C=C2)OC(OC(=O)CC3(O)C=CC(=O)C=C3)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C05 compound treatment 0.0 -0.011626 -0.0606 0.08 0.05973 0.3319 0.11 0.08762 0.4955 0.4427 0.7385 3552112 ACon1_001009 C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C3[C@H]1CC(=O)OC[C@@H]4[C@@H](C)[C@@H](C[C@H]4C(C)CO)OC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C06 compound treatment -0.168 -0.17963 -0.9363 -0.045 -0.06527 -0.3627 0.029 0.0066202 0.0374 -0.7283 -0.7249 3558787 ACon1_001010 C[C@@H]1O[C@@H](OCC2OC(OC3C(O)C(O)C(CO)OC3OC4C(O)C(O)C(CO)OC4Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)c(O)c7)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C07 compound treatment 0.201 0.18937 0.9871 0.138 0.11773 0.6542 0.319 0.29662 1.6774 1.9161 0.9332 3558850 ACon1_001011 C[C@@H]1C(=O)[C@@H](O)[C@]2(COC(=O)C)[C@H](CCC[C@@]32CO3)[C@]41CC(OC4OC(=O)C)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C08 compound treatment 0.29 0.27837 1.451 0.097 0.07673 0.4264 0.256 0.23362 1.3212 1.8467 0.9196 3558834 ACon1_001012 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C09 compound treatment 0.116 0.10437 0.544 -0.106 -0.12627 -0.7017 0.043 0.02062 0.1166 -0.0237 -0.0265 3554277 ACon1_001013 CCCCCC1CC(O)C(O)C(CC(=O)OC(CCC)CCCC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2NC(=O)C)OC(=O)CC(C)(O)CC(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C10 compound treatment 0.117 0.10537 0.5492 0.132 0.11173 0.6209 -0.006 -0.02838 -0.1605 0.5829 0.6904 3558858 ACon1_001014 CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4C(C)OC(Oc5cc(O)c6c(=O)c(O)c(oc6c5)c7ccc(O)c(O)c7)C(O)C4O)C(O)C(O)C3OC(=O)/C=C/c8ccc(O)cc8)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C11 mock treatment -0.134 -0.14563 -0.759 -0.006 -0.02627 -0.146 0.0 -0.02238 -0.1266 -0.5956 -0.7604 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C12 mock treatment -0.031 -0.042626 -0.2222 0.006 -0.01427 -0.0793 -0.073 -0.09538 -0.5394 -0.4855 -0.8246 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C13 compound treatment -0.065 -0.076626 -0.3994 0.072 0.05173 0.2875 0.229 0.20662 1.1685 0.61 0.4811 3558742 ACon1_001015 CC1=CCC2[C@](C)(CCC[C@]2(C)[C@H]1CCc3ccoc3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C14 compound treatment 0.075 0.063374 0.3303 -0.052 -0.07227 -0.4016 0.178 0.15562 0.8801 0.4669 0.4568 3558795 ACon1_001016 CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C15 mock treatment 0.2 0.18837 0.9819 0.091 0.07073 0.3931 -0.006 -0.02838 -0.1605 0.7011 0.6555 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C16 mock treatment -0.012 -0.023626 -0.1231 -0.011 -0.03127 -0.1738 0.084 0.06162 0.3485 0.0298 0.0729 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C17 compound treatment 0.073 0.061374 0.3199 0.035 0.01473 0.0819 0.06 0.03762 0.2127 0.3548 0.9032 3558891 ACon1_001017 CCCC1CCCCCCCCCC(=O)OC2C(OC3OC(CO)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC(=O)C(C)CC)C(O)C3O)C(O)C(C)OC2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C18 compound treatment 0.007 -0.0046255 -0.0241 0.017 -0.00327 -0.0182 0.053 0.03062 0.1732 0.0756 0.4299 3558933 ACon1_001018 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)O)C4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C19 compound treatment 3.293 3.2814 8.2631 0.023 0.00273 0.0152 0.178 0.15562 0.8801 5.2875 0.6363 3614691 ACon1_001019 CC1CC(=O)c2c(C1)ccc3C(=O)c4cccc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)c4C(=O)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C20 compound treatment 0.0 -0.011626 -0.0606 -0.036 -0.05627 -0.3127 0.138 0.11562 0.6539 0.162 0.2227 3553736 ACon1_001020 CC(NC(=O)c1ccccc1N)C(=O)N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C21 compound treatment -0.168 -0.17963 -0.9363 -0.212 -0.23227 -1.2908 -0.187 -0.20938 -1.1841 -1.9694 -0.9916 3558991 ACon1_001021 CCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C22 compound treatment 0.099 0.087374 0.4554 0.235 0.21473 1.1933 0.064 0.04162 0.2354 1.0878 0.8376 3559021 ACon1_001022 CC(=C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)/C=C(\CO)/CC/C=C(/C=O)\[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C23 compound treatment 0.061 0.049374 0.2574 0.012 -0.00827 -0.046 0.143 0.12062 0.6821 0.5159 0.7062 1102980 ACon1_001023 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 C24 compound treatment 0.09 0.078374 0.4085 0.152 0.13173 0.732 0.104 0.08162 0.4616 0.925 0.9666 3552625 ACon1_001024 C[C@@H]1C[C@@H](O)[C@]23CO[C@]3(CO)CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D01 compound treatment -0.04 -0.051626 -0.2691 0.196 0.17573 0.9766 0.044 0.02162 0.1223 0.4791 0.4695 3558448 ACon1_001025 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D02 compound treatment 0.044 0.032374 0.1687 0.237 0.21673 1.2044 0.237 0.21462 1.2137 1.4935 0.8692 1035250 ACon1_001026 CC(=O)c1c(O)cc(O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D03 compound treatment 0.13 0.11837 0.617 0.0 -0.02027 -0.1126 0.013 -0.0093798 -0.053 0.2606 0.414 3558681 ACon1_001027 CC(C)C1CCC(C)(O)C2CCC(C21)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D04 compound treatment 0.006 -0.0056255 -0.0293 0.056 0.03573 0.1986 -0.019 -0.04138 -0.234 -0.0374 -0.1213 3559064 ACon1_001028 COc1cc2OC(C)(C)C=Cc2c3O[C@H](CC(=O)c13)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D05 compound treatment 0.15 0.13837 0.7212 0.18 0.15973 0.8876 -0.032 -0.05438 -0.3075 0.7513 0.6344 3558585 ACon1_001029 COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D06 compound treatment 2.654 2.6424 7.7541 0.667 0.64673 3.594 0.55 0.52762 2.9838 8.2745 0.9141 3555816 ACon1_001030 OC(=O)C(CCCCCCCCC=C)C1(CCC(=O)O1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D07 compound treatment 0.043 0.031374 0.1635 0.213 0.19273 1.071 0.098 0.07562 0.4276 0.9597 0.8239 3557965 ACon1_001031 COc1cc2oc(c(OC)c(=O)c2c(O)c1OC)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D08 compound treatment 0.018 0.0063745 0.0332 -0.133 -0.15327 -0.8517 0.083 0.06062 0.3428 -0.2746 -0.2989 3559355 ACon1_001032 COc1cc(CC(CO)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc3cc(OC)c(O)c(OC)c3)cc(OC)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D09 compound treatment 0.09 0.078374 0.4085 0.061 0.04073 0.2263 0.071 0.04862 0.275 0.5253 0.9692 3558973 ACon1_001033 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D10 compound treatment 0.188 0.17637 0.9193 0.011 -0.00927 -0.0515 0.185 0.16262 0.9196 1.032 0.793 3554278 ACon1_001034 CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D11 mock treatment 0.029 0.017374 0.0906 0.038 0.01773 0.0985 0.139 0.11662 0.6595 0.4899 0.728 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D12 mock treatment 0.018 0.0063745 0.0332 -0.017 -0.03727 -0.2071 0.0 -0.02238 -0.1266 -0.1735 -0.7081 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D13 compound treatment -0.013 -0.024626 -0.1284 -0.031 -0.05127 -0.2849 -0.044 -0.06638 -0.3754 -0.4553 -0.9322 3558978 ACon1_001035 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(C)C(O)CCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D14 compound treatment -0.045 -0.056626 -0.2951 -0.024 -0.04427 -0.246 -0.159 -0.18138 -1.0257 -0.9046 -0.8259 3558688 ACon1_001036 CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D15 mock treatment -0.108 -0.11963 -0.6235 -0.089 -0.10927 -0.6072 0.047 0.02462 0.1392 -0.6302 -0.715 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D16 mock treatment -0.085 -0.096626 -0.5036 -0.061 -0.08127 -0.4516 0.006 -0.01638 -0.0926 -0.605 -0.8861 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D17 compound treatment 0.158 0.14637 0.7629 0.189 0.16873 0.9377 0.211 0.18862 1.0667 1.5977 0.991 3559116 ACon1_001037 OC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D18 compound treatment 0.013 0.0013745 0.0072 -0.006 -0.02627 -0.146 -0.089 -0.11138 -0.6299 -0.4438 -0.6864 3558901 ACon1_001038 O[C@@H](CCc1ccccc1)CC(=O)CCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D19 compound treatment -0.028 -0.039626 -0.2065 0.086 0.06573 0.3653 -0.186 -0.20838 -1.1784 -0.5887 -0.4706 3554848 ACon1_001039 COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D20 compound treatment 0.034 0.022374 0.1166 0.035 0.01473 0.0819 0.005 -0.01738 -0.0983 0.0578 0.3342 3559313 ACon1_001040 COC(=O)C[C@H]1/C(=C/COC(=O)\C=C\c2ccccc2)/[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D21 compound treatment 0.018 0.0063745 0.0332 -0.077 -0.09727 -0.5405 0.012 -0.01038 -0.0587 -0.3268 -0.5999 3552014 ACon1_001041 C/C=C(/C)\C(=O)O[C@H]1C(=C)[C@@H]2C[C@]31CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D22 compound treatment 4.606 4.5944 8.9806 5.143 5.1227 9.788 6.826 6.8036 10.5108 16.9045 0.998 3559586 ACon1_001042 CC(=O)OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)\CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D23 compound treatment 0.131 0.11937 0.6222 -0.006 -0.02627 -0.146 0.151 0.12862 0.7274 0.6949 0.7177 3554758 ACon1_001043 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(O)CC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 D24 compound treatment 0.029 0.017374 0.0906 -0.022 -0.04227 -0.2349 0.043 0.02062 0.1166 -0.016 -0.0577 3557336 ACon1_001044 CC(O)CC1=CC(OC1=O)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E01 mock treatment -0.049 -0.060626 -0.316 -0.131 -0.15127 -0.8406 -0.137 -0.15938 -0.9013 -1.1882 -0.9338 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E02 mock treatment 0.021 0.0093745 0.0489 0.194 0.17373 0.9654 -0.021 -0.04338 -0.2453 0.444 0.4452 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E03 compound treatment -0.033 -0.044626 -0.2326 -0.019 -0.03927 -0.2182 0.062 0.03962 0.2241 -0.1309 -0.3359 3553538 ACon1_001045 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E04 compound treatment 0.0 -0.011626 -0.0606 0.026 0.00573 0.0318 0.063 0.04062 0.2297 0.116 0.4841 3555006 ACon1_001046 COc1cc(OC)c2C(=O)OC(C)Cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E05 compound treatment 0.081 0.069374 0.3616 0.012 -0.00827 -0.046 0.309 0.28662 1.6209 1.1181 0.673 3558819 ACon1_001047 O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E06 compound treatment 0.018 0.0063745 0.0332 -0.129 -0.14927 -0.8295 2.906 2.8836 8.6178 4.5157 0.5216 3614704 ACon1_001048 Cc1c(O)cc2C(=O)C(O)(CCCO)OCc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E07 compound treatment 0.298 0.28637 1.4927 0.056 0.03573 0.1986 0.047 0.02462 0.1392 1.0568 0.6988 3558866 ACon1_001049 C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E08 compound treatment 0.202 0.19037 0.9923 -0.206 -0.22627 -1.2574 0.574 0.55162 3.1195 1.648 0.4699 3558836 ACon1_001050 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E09 mock treatment 0.025 0.013374 0.0697 0.05 0.02973 0.1652 0.083 0.06062 0.3428 0.3336 0.8622 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E10 mock treatment -0.039 -0.050626 -0.2639 -0.018 -0.03827 -0.2127 0.006 -0.01638 -0.0926 -0.3286 -0.9353 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E11 compound treatment 0.043 0.031374 0.1635 0.088 0.06773 0.3764 -0.09 -0.11238 -0.6355 -0.0552 -0.073 3558576 ACon1_001051 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E12 compound treatment 0.161 0.14937 0.7786 0.152 0.13173 0.732 0.167 0.14462 0.8179 1.3443 0.999 3558478 ACon1_001052 CC(C)(O)c1cc(O)c2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E13 compound treatment 0.127 0.11537 0.6014 -0.034 -0.05427 -0.3016 -0.052 -0.07438 -0.4206 -0.0698 -0.0879 3558756 ACon1_001053 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCC(C)[C@@H]3C[C@H]4OC(=O)C5=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)/C(=C/C)/[C@@H]5CC(=O)OC[C@@H]3[C@H]4C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E14 compound treatment 0.119 0.10737 0.5597 0.036 0.01573 0.0874 -0.027 -0.04938 -0.2793 0.2124 0.3363 1859 ACon1_001054 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E15 compound treatment 0.09 0.078374 0.4085 0.045 0.02473 0.1374 0.125 0.10262 0.5803 0.6503 0.8995 3558832 ACon1_001055 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1)\CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E16 compound treatment -0.22 -0.23163 -1.2073 0.093 0.07273 0.4042 0.134 0.11162 0.6312 -0.0992 -0.0698 3555940 ACon1_001056 OC1CCC(=O)C(O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E17 mock treatment 0.106 0.094374 0.4919 -0.048 -0.06827 -0.3794 0.019 -0.0033798 -0.0191 0.0539 0.0868 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E18 mock treatment 0.032 0.020374 0.1062 0.221 0.20073 1.1155 0.094 0.07162 0.405 0.9392 0.7882 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E19 compound treatment 0.024 0.012374 0.0645 0.004 -0.01627 -0.0904 0.275 0.25262 1.4286 0.8098 0.5652 3557853 ACon1_001057 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC43C)C(=O)O)C2C1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E20 compound treatment -0.03 -0.041626 -0.217 0.129 0.10873 0.6042 0.041 0.01862 0.1053 0.2844 0.4371 3558986 ACon1_001058 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E21 compound treatment -0.097 -0.10863 -0.5662 -0.312 -0.33227 -1.8465 -0.303 -0.32538 -1.8401 -2.4553 -0.9204 3559000 ACon1_001059 CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E22 compound treatment -0.051 -0.062626 -0.3264 0.006 -0.01427 -0.0793 0.068 0.04562 0.258 -0.0853 -0.2014 3559026 ACon1_001060 CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E23 compound treatment 0.013 0.0013745 0.0072 -0.118 -0.13827 -0.7684 -0.131 -0.15338 -0.8674 -0.9403 -0.8114 3558682 ACon1_001061 CC(C)c1ccc2c(c1)C(O)CC3C(C)(CO)CCCC32C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 E24 compound treatment 0.845 0.83337 4.3437 0.994 0.97373 5.4112 0.66 0.63762 3.6059 7.7138 0.9864 3552689 ACon1_001062 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F01 mock treatment 0.047 0.035374 0.1844 0.041 0.02073 0.1152 -0.107 -0.12938 -0.7317 -0.2495 -0.3268 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F02 mock treatment -0.028 -0.039626 -0.2065 -0.069 -0.08927 -0.4961 -0.15 -0.17238 -0.9748 -0.9685 -0.8701 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F03 compound treatment 0.056 0.044374 0.2313 0.027 0.00673 0.0374 0.066 0.04362 0.2467 0.2975 0.8746 3558778 ACon1_001063 Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F04 compound treatment -0.02 -0.031626 -0.1648 0.146 0.12573 0.6987 0.031 0.0086202 0.0487 0.3364 0.4675 3559033 ACon1_001064 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F05 compound treatment 0.095 0.083374 0.4346 0.104 0.08373 0.4653 0.088 0.06562 0.3711 0.7338 0.9957 425 ACon1_001065 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F06 compound treatment 0.0 -0.011626 -0.0606 0.101 0.08073 0.4486 0.026 0.0036202 0.0205 0.2359 0.5205 3559139 ACon1_001066 C[C@]1(CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CCC12)C(=O)C4=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F07 compound treatment -0.227 -0.23863 -1.2438 -0.03 -0.05027 -0.2794 -0.053 -0.07538 -0.4263 -1.1255 -0.8373 3558995 ACon1_001067 CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F08 compound treatment -0.057 -0.068626 -0.3577 0.0 -0.02027 -0.1126 0.157 0.13462 0.7613 0.168 0.1979 3557648 ACon1_001068 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F09 mock treatment 0.13 0.11837 0.617 0.051 0.03073 0.1708 -0.098 -0.12038 -0.6808 0.0618 0.0661 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F10 mock treatment -0.051 -0.062626 -0.3264 0.093 0.07273 0.4042 0.026 0.0036202 0.0205 0.0567 0.1091 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F11 compound treatment 0.077 0.065374 0.3407 0.224 0.20373 1.1322 -0.051 -0.07338 -0.415 0.6108 0.4875 3558481 ACon1_001069 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F12 compound treatment -0.006 -0.017626 -0.0919 0.086 0.06573 0.3653 0.012 -0.01038 -0.0587 0.124 0.3252 3557470 ACon1_001070 CCc1cc(O)c(C)c(O)c1C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F13 compound treatment -0.02 -0.031626 -0.1648 -0.068 -0.08827 -0.4905 -0.048 -0.07038 -0.398 -0.6082 -0.9316 3559015 ACon1_001071 Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)c([C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6)c3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F14 compound treatment -0.035 -0.046626 -0.243 0.04 0.01973 0.1096 -0.026 -0.04838 -0.2736 -0.235 -0.6151 3555967 ACon1_001072 OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F15 compound treatment 0.0 -0.011626 -0.0606 -0.033 -0.05327 -0.296 0.105 0.08262 0.4672 0.0639 0.1148 3557355 ACon1_001073 CCCC[C@@H](O)c1cc(OC)cc(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F16 compound treatment 0.025 0.013374 0.0697 -0.107 -0.12727 -0.7073 -0.026 -0.04838 -0.2736 -0.5261 -0.6908 3558989 ACon1_001074 CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F17 mock treatment 0.0 -0.011626 -0.0606 -0.038 -0.05827 -0.3238 0.044 0.02162 0.1223 -0.1513 -0.4307 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F18 mock treatment 0.024 0.012374 0.0645 -0.012 -0.03227 -0.1793 0.026 0.0036202 0.0205 -0.0545 -0.2842 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F19 compound treatment -0.077 -0.088626 -0.4619 -0.079 -0.09927 -0.5517 0.008 -0.01438 -0.0813 -0.6322 -0.873 3559597 ACon1_001075 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F20 compound treatment 0.045 0.033374 0.174 -0.04 -0.06027 -0.3349 0.038 0.01562 0.0883 -0.0419 -0.1082 3552025 ACon1_001076 C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1\C=C\[C@H](O)[C@H](C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F21 compound treatment 0.006 -0.0056255 -0.0293 0.089 0.06873 0.3819 0.006 -0.01638 -0.0926 0.1501 0.3809 3553341 ACon1_001077 CC(=O)O[C@@H]1CC2[C@@]3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CC[C@@]2(C)[C@]4(C)CCC(O)(C14)[C@]5(C)CCC(O5)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F22 compound treatment 0.026 0.014374 0.0749 -0.127 -0.14727 -0.8184 0.019 -0.0033798 -0.0191 -0.4403 -0.5356 3555308 ACon1_001078 COc1cccc2C(=O)c3c(ccc4CC(C)(O)CC(=O)c43)C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F23 compound treatment -0.013 -0.024626 -0.1284 -0.042 -0.06227 -0.346 0.139 0.11662 0.6595 0.1069 0.1414 3559897 ACon1_001079 CC(=CCc1c(O)cc(O)c2c(=O)cc(oc12)c3ccc(O)cc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 F24 compound treatment -0.006 -0.017626 -0.0919 0.049 0.02873 0.1597 -0.061 -0.08338 -0.4715 -0.2331 -0.4605 3558760 ACon1_001080 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@@H](O)C[C@@]31O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G01 compound treatment 0.206 0.19437 1.0131 0.106 0.08573 0.4764 -0.025 -0.04738 -0.2679 0.7053 0.6127 3558179 ACon1_001081 COc1cc(CCCO)cc2C(COC3OC(CO)C(O)C(O)C3O)C(Oc21)c4ccc(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G02 compound treatment 0.0 -0.011626 -0.0606 0.056 0.03573 0.1986 -0.04 -0.06238 -0.3528 -0.124 -0.303 3554828 ACon1_001082 COc1cc(c(O)c(O)c1c2ccccc2)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G03 mock treatment 0.123 0.11137 0.5805 -0.006 -0.02627 -0.146 -0.043 -0.06538 -0.3697 0.0374 0.0532 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G04 mock treatment -0.1 -0.11163 -0.5818 0.073 0.05273 0.293 -0.006 -0.02838 -0.1605 -0.2594 -0.3866 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G05 compound treatment 0.063 0.051374 0.2678 0.111 0.09073 0.5042 0.06 0.03762 0.2127 0.5685 0.9332 3555886 ACon1_001083 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c5ccc(O)c(O)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G06 compound treatment 0.143 0.13137 0.6848 -0.177 -0.19727 -1.0963 -0.176 -0.19838 -1.1219 -0.8853 -0.5173 3614713 ACon1_001084 CC1CC(O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G07 compound treatment 0.309 0.29737 1.55 0.09 0.06973 0.3875 0.105 0.08262 0.4672 1.3884 0.834 3558875 ACon1_001085 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3CC=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G08 compound treatment 0.04 0.028374 0.1479 0.127 0.10673 0.5931 0.361 0.33862 1.915 1.5334 0.7628 3558860 ACon1_001086 C/C(=C\CCC(C)(O)C=C)/C(=O)OCC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G09 compound treatment -0.138 -0.14963 -0.7799 -0.018 -0.03827 -0.2127 0.018 -0.0043798 -0.0248 -0.5874 -0.7263 3558972 ACon1_001087 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G10 compound treatment 0.232 0.22037 1.1486 0.28 0.25973 1.4434 0.177 0.15462 0.8744 2.0013 0.9804 3557781 ACon1_001088 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G11 compound treatment 0.369 0.35737 1.8627 0.589 0.56873 3.1605 0.296 0.27362 1.5474 3.7935 0.9528 1105254 ACon1_001089 CC12CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C3(C)C2=CCC1c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G12 compound treatment 0.046 0.034374 0.1792 0.0 -0.02027 -0.1126 0.142 0.11962 0.6765 0.429 0.6052 3558250 ACon1_001090 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2Oc3cc4oc(=O)ccc4cc3[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G13 compound treatment 0.107 0.095374 0.4971 -0.018 -0.03827 -0.2127 0.078 0.05562 0.3145 0.3458 0.5528 3553160 ACon1_001091 C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G14 compound treatment -0.069 -0.080626 -0.4202 -0.038 -0.05827 -0.3238 -0.013 -0.03538 -0.2001 -0.5451 -0.9614 3558272 ACon1_001092 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O)OC(=O)/C=C/c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G15 compound treatment 0.123 0.11137 0.5805 0.057 0.03673 0.2041 0.153 0.13062 0.7387 0.8795 0.9148 3558437 ACon1_001093 CO[C@@H]1CC(OC2CCC3(C)C(CCC4(CCC(C5=CC(=O)OC5)C6(C)CCC34)C6=O)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G16 compound treatment 0.101 0.089374 0.4658 0.165 0.14473 0.8043 0.272 0.24962 1.4116 1.5483 0.9161 3559145 ACon1_001094 CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G17 compound treatment 0.119 0.10737 0.5597 0.192 0.17173 0.9543 0.088 0.06562 0.3711 1.0884 0.9327 3557962 ACon1_001095 OC[C@H]1O[C@@H](O[C@@H]2OC=CC3C(O)C=C(COC(=O)c4ccccc4)C32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G18 compound treatment -0.06 -0.071626 -0.3733 0.006 -0.01427 -0.0793 -0.067 -0.08938 -0.5055 -0.5532 -0.8734 3558116 ACon1_001096 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G19 mock treatment 0.033 0.021374 0.1114 -0.013 -0.03327 -0.1849 0.028 0.0056202 0.0318 -0.0241 -0.1103 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G20 mock treatment -0.169 -0.18063 -0.9415 0.146 0.12573 0.6987 0.135 0.11262 0.6369 0.2275 0.1705 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G21 compound treatment -0.06 -0.071626 -0.3733 0.018 -0.00227 -0.0126 0.053 0.03062 0.1732 -0.1228 -0.2984 3554700 ACon1_001097 COC(=O)c1cc(CO)cc(O)c1C(=O)c2c(O)cccc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G22 compound treatment 0.064 0.052374 0.273 0.114 0.09373 0.5209 0.103 0.08062 0.4559 0.7216 0.9697 3558581 ACon1_001098 C[C@@]1(CCC[C@]2(C)C3CCC4CC3(CCC12)C=C4CO)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G23 compound treatment 0.042 0.030374 0.1583 0.025 0.00473 0.0263 -0.133 -0.15538 -0.8787 -0.4007 -0.4486 3555287 ACon1_001099 COc1ccc2c(C=O)c(oc2c1)c3ccc(OC)c(O)c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 G24 compound treatment 0.075 0.063374 0.3303 -0.144 -0.16427 -0.9129 -0.069 -0.09138 -0.5168 -0.6347 -0.5771 1787154 ACon1_001100 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H01 compound treatment 0.134 0.12237 0.6378 -0.075 -0.09527 -0.5294 0.149 0.12662 0.7161 0.476 0.4346 3558364 ACon1_001101 CCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H02 compound treatment 0.0 -0.011626 -0.0606 0.299 0.27873 1.5489 0.594 0.57162 3.2326 2.7257 0.7603 3558698 ACon1_001102 CC(=O)OC/C=C(\CO)/CC/C=C(\C)/CC/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H03 mock treatment -0.383 -0.39463 -2.0569 -0.027 -0.04727 -0.2627 -0.092 -0.11438 -0.6468 -1.7127 -0.7885 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H04 mock treatment 0.055 0.043374 0.2261 -0.078 -0.09827 -0.5461 -0.212 -0.23438 -1.3255 -0.95 -0.6546 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H05 compound treatment -0.062 -0.073626 -0.3838 0.117 0.09673 0.5375 0.123 0.10062 0.569 0.4173 0.4787 3558811 ACon1_001103 COc1cc(/C=C/C=O)cc(OC)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H06 compound treatment 0.275 0.26337 1.3728 0.109 0.08873 0.4931 0.195 0.17262 0.9762 1.6409 0.9349 3559864 ACon1_001104 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(Cc5c4nc6ccccc6c5O)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H07 compound treatment 0.061 0.049374 0.2574 1.387 1.3667 6.4122 0.289 0.26662 1.5078 4.7212 0.7162 3557308 ACon1_001105 CCCCCCCCC(C(O)CC(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H08 compound treatment 0.006 -0.0056255 -0.0293 -0.116 -0.13627 -0.7573 0.131 0.10862 0.6143 -0.0995 -0.102 1001923 ACon1_001106 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H09 compound treatment -0.005 -0.016626 -0.0867 0.185 0.16473 0.9154 0.007 -0.01538 -0.087 0.4283 0.4637 3557902 ACon1_001107 COc1cc(cc(OC)c1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H10 compound treatment 0.221 0.20937 1.0913 0.227 0.20673 1.1488 0.18 0.15762 0.8914 1.808 0.9945 3553984 ACon1_001108 Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H11 compound treatment -0.023 -0.034626 -0.1805 0.006 -0.01427 -0.0793 -0.025 -0.04738 -0.2679 -0.3047 -0.9159 3559002 ACon1_001109 Oc1ccc(CCCc2ccc3OCOc3c2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H12 compound treatment -0.055 -0.066626 -0.3473 -0.126 -0.14627 -0.8128 -0.025 -0.04738 -0.2679 -0.8245 -0.8927 3554509 ACon1_001110 CO[C@H]/1\C=C\[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H13 compound treatment 0.06 0.048374 0.2521 -0.026 -0.04627 -0.2571 0.06 0.03762 0.2127 0.1199 0.2868 3559031 ACon1_001111 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H14 compound treatment -0.045 -0.056626 -0.2951 -0.089 -0.10927 -0.6072 -0.031 -0.05338 -0.3019 -0.6953 -0.9401 3554525 ACon1_001112 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)CCl)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H15 compound treatment -0.026 -0.037626 -0.1961 -0.071 -0.09127 -0.5072 0.17 0.14762 0.8348 0.0759 0.0762 3553997 ACon1_001113 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H16 compound treatment 0.037 0.025374 0.1323 0.155 0.13473 0.7487 -0.113 -0.13538 -0.7656 0.0666 0.0617 1106761 ACon1_001114 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3CC(=O)CC(CC(=O)CCc4ccc(O)cc4)O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H17 compound treatment 0.808 0.79637 4.1509 0.143 0.12273 0.682 -0.026 -0.04838 -0.2736 2.6323 0.6244 3559112 ACon1_001115 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)/C=C/C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H18 compound treatment -0.02 -0.031626 -0.1648 0.127 0.10673 0.5931 0.089 0.06662 0.3767 0.4648 0.644 3558839 ACon1_001116 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H19 mock treatment -0.185 -0.19663 -1.0249 0.168 0.14773 0.821 -0.146 -0.16838 -0.9522 -0.6675 -0.4115 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H20 mock treatment -0.025 -0.036626 -0.1909 -0.028 -0.04827 -0.2682 -0.083 -0.10538 -0.5959 -0.6092 -0.8947 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H21 compound treatment 0.079 0.067374 0.3512 -0.023 -0.04327 -0.2405 -0.09 -0.11238 -0.6355 -0.303 -0.3961 1111461 ACon1_001117 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H22 compound treatment -0.139 -0.15063 -0.7851 -0.064 -0.08427 -0.4683 -0.148 -0.17038 -0.9635 -1.2799 -0.9637 3558469 ACon1_001118 OC(=O)c1c(O)cccc1CCCCCCC/C=C\C/C=C\CC=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H23 compound treatment 0.162 0.15037 0.7838 -0.017 -0.03727 -0.2071 0.144 0.12162 0.6878 0.73 0.6867 3559898 ACon1_001119 C[C@@H]1C(O)O[C@@H]2[C@H]1[C@@H](O)C[C@](C)(C=C)[C@H]2C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 H24 compound treatment -0.099 -0.11063 -0.5766 -0.123 -0.14327 -0.7962 0.099 0.07662 0.4333 -0.5424 -0.5049 3559171 ACon1_001120 OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)C[C@@H](Oc4c2)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I01 compound treatment -0.029 -0.040626 -0.2117 -0.034 -0.05427 -0.3016 -0.128 -0.15038 -0.8504 -0.7874 -0.8495 3554132 ACon1_001121 CCC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I02 compound treatment 0.09 0.078374 0.4085 -0.027 -0.04727 -0.2627 0.042 0.01962 0.111 0.1482 0.2976 3553195 ACon1_001122 CC(=CCc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)c3ccc(O)cc3O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I03 compound treatment 0.083 0.071374 0.372 -0.018 -0.03827 -0.2127 0.034 0.01162 0.0657 0.1299 0.2997 3559282 ACon1_001123 OC[C@H]1O[C@@H](Oc2ccc(CC=C)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I04 compound treatment 0.062 0.050374 0.2626 -0.013 -0.03327 -0.1849 0.031 0.0086202 0.0487 0.073 0.2247 3558801 ACon1_001124 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3C(=C[C@@H](O)[C@@]3(C)O)[C@@](C)(O)C[C@@H]2OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I05 mock treatment 0.012 3.7448E-4 0.002 -0.007 -0.02727 -0.1515 -0.222 -0.24438 -1.382 -0.8843 -0.636 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I06 mock treatment 0.012 3.7448E-4 0.002 0.095 0.07473 0.4153 0.012 -0.01038 -0.0587 0.207 0.4935 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I07 compound treatment -0.06 -0.071626 -0.3733 0.026 0.00573 0.0318 0.036 0.01362 0.077 -0.1527 -0.3992 3474459 ACon1_001125 OCC1OC(Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I08 compound treatment 0.09 0.078374 0.4085 -0.07 -0.09027 -0.5016 0.17 0.14762 0.8348 0.4282 0.4054 3554178 ACon1_001126 CCC(CCCCC(=O)CCCCC1CCC(=O)O1)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](OC(=O)C)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I09 compound treatment -0.119 -0.13063 -0.6809 -0.21 -0.23027 -1.2796 -0.16 -0.18238 -1.0314 -1.7274 -0.971 3558998 ACon1_001127 CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I10 compound treatment 0.048 0.036374 0.1896 0.012 -0.00827 -0.046 -0.044 -0.06638 -0.3754 -0.1338 -0.3163 3557509 ACon1_001128 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c(O)c4c(=O)cc(oc24)c5ccc(O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I11 compound treatment -0.025 -0.036626 -0.1909 0.031 0.01073 0.0596 -0.121 -0.14338 -0.8108 -0.5439 -0.6513 3558722 ACon1_001129 CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C)C(OC4OC(C)C(O)C(O)C4O)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I12 compound treatment 0.19 0.17837 0.9297 0.255 0.23473 1.3044 0.217 0.19462 1.1006 1.9253 0.9906 3558629 ACon1_001130 OC[C@H]1O[C@@H](Oc2cc3occc3cc2CCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I13 compound treatment -0.064 -0.075626 -0.3942 0.219 0.19873 1.1044 -0.02 -0.04238 -0.2397 0.2717 0.227 3558785 ACon1_001131 CC1(C)C2CCC1(C)C(C2)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I14 compound treatment -0.02 -0.031626 -0.1648 0.02 -2.7002E-4 -0.0015 0.051 0.02862 0.1619 -0.0026 -0.0112 3558926 ACon1_001132 Oc1ccc(/C=C/c2ccc(O)cc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I15 compound treatment 0.068 0.056374 0.2938 -0.108 -0.12827 -0.7128 0.048 0.02562 0.1449 -0.1582 -0.2017 3558862 ACon1_001133 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(OC(=O)/C(=C/CCC(C)(O)C=C)/C)C(O)C7O)OC=CC46O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I16 compound treatment -0.079 -0.090626 -0.4724 0.058 0.03773 0.2097 -0.068 -0.09038 -0.5111 -0.4468 -0.6146 3558948 ACon1_001134 COc1cc(/C=C\C(=O)O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I17 compound treatment 0.024 0.012374 0.0645 0.02 -2.7002E-4 -0.0015 0.177 0.15462 0.8744 0.5412 0.6173 3557339 ACon1_001135 C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I18 compound treatment 0.065 0.053374 0.2782 0.157 0.13673 0.7598 0.144 0.12162 0.6878 0.9964 0.9383 3557346 ACon1_001136 CC(C)CCCC/C=C\CCCCCCCC(=O)OCC(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I19 compound treatment 0.186 0.17437 0.9089 0.093 0.07273 0.4042 0.065 0.04262 0.241 0.8972 0.8767 3557913 ACon1_001137 CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I20 compound treatment -0.025 -0.036626 -0.1909 -0.123 -0.14327 -0.7962 -0.043 -0.06538 -0.3697 -0.7834 -0.872 3558986 ACon1_001138 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I21 mock treatment 0.163 0.15137 0.789 -0.019 -0.03927 -0.2182 0.125 0.10262 0.5803 0.6646 0.6623 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I22 mock treatment -0.091 -0.10263 -0.5349 -0.059 -0.07927 -0.4405 0.09 0.06762 0.3824 -0.3424 -0.4326 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I23 compound treatment 0.283 0.27137 1.4145 0.454 0.43373 2.4103 0.223 0.20062 1.1345 2.8633 0.9493 3554969 ACon1_001139 COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 I24 compound treatment 0.241 0.22937 1.1956 0.225 0.20473 1.1377 0.084 0.06162 0.3485 1.5483 0.9179 3554553 ACon1_001140 COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2[C@H](O)C[C@](C)(C=C)[C@@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J01 compound treatment 0.041 0.029374 0.1531 0.048 0.02773 0.1541 0.049 0.02662 0.1505 0.2643 1.0 3557527 ACon1_001141 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J02 compound treatment 0.022 0.010374 0.0541 0.106 0.08573 0.4764 0.014 -0.0083798 -0.0474 0.2789 0.5789 3558547 ACon1_001142 COc1ccc(cc1OC)[C@@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J03 compound treatment 0.129 0.11737 0.6118 -0.022 -0.04227 -0.2349 0.035 0.01262 0.0714 0.2588 0.3926 3554707 ACon1_001143 COC(=O)c1cc(O)cc(OC)c1Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J04 compound treatment 0.057 0.045374 0.2365 0.012 -0.00827 -0.046 0.118 0.09562 0.5408 0.4222 0.7132 3559048 ACon1_001144 CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J05 mock treatment 0.088 0.076374 0.3981 0.062 0.04173 0.2319 -0.018 -0.04038 -0.2284 0.2319 0.451 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J06 mock treatment -0.109 -0.12063 -0.6287 -0.227 -0.24727 -1.3741 -0.112 -0.13438 -0.7599 -1.5951 -0.943 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J07 compound treatment -0.251 -0.26263 -1.3689 -0.074 -0.09427 -0.5239 -0.273 -0.29538 -1.6704 -2.0572 -0.9257 3559004 ACon1_001145 Oc1cc(O)c(C(=O)CCCCCCCCc2ccccc2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J08 compound treatment 0.042 0.030374 0.1583 0.061 0.04073 0.2263 -0.047 -0.06938 -0.3924 -0.0044 -0.0093 3558537 ACon1_001146 C/C(=C\CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O)/C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J09 compound treatment 0.087 0.075374 0.3929 0.085 0.06473 0.3597 0.067 0.04462 0.2523 0.5802 0.9843 3558931 ACon1_001147 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3O[C@@H](CC(=O)c3c2O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J10 compound treatment 0.078 0.066374 0.346 -0.088 -0.10827 -0.6017 0.121 0.09862 0.5577 0.1744 0.1958 3557887 ACon1_001148 COc1cc(ccc1O)C2OCC3C(OCC23)c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J11 compound treatment 0.03 0.018374 0.0958 0.147 0.12673 0.7043 0.104 0.08162 0.4616 0.7284 0.8595 3557666 ACon1_001149 CC(=O)OCC(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J12 compound treatment -0.141 -0.15263 -0.7955 -0.046 -0.06627 -0.3683 -0.056 -0.07838 -0.4433 -0.9278 -0.9445 3554146 ACon1_001150 CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J13 compound treatment -0.047 -0.058626 -0.3056 -0.007 -0.02727 -0.1515 -0.054 -0.07638 -0.4319 -0.5133 -0.9326 3559043 ACon1_001151 CC(C)(O)C1CCC(C)(O1)C2[C@H](O)C[C@@]3(C)C4CC=C5C(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J14 compound treatment 0.036 0.024374 0.127 0.042 0.02173 0.1208 0.068 0.04562 0.258 0.292 0.9363 3557343 ACon1_001152 CCC/C=C\CC(N)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J15 compound treatment 0.1 0.088374 0.4606 0.09 0.06973 0.3875 0.102 0.07962 0.4503 0.7496 0.9972 3559081 ACon1_001153 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3ccc(C=C)cc3)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J16 compound treatment 0.089 0.077374 0.4033 -0.055 -0.07527 -0.4183 0.157 0.13462 0.7613 0.4309 0.4499 3552097 ACon1_001154 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J17 compound treatment -0.03 -0.041626 -0.217 -0.08 -0.10027 -0.5572 0.03 0.0076202 0.0431 -0.4221 -0.7041 3559133 ACon1_001155 OC1C(O)c2ccc(O)c(O)c2OC1c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J18 compound treatment 0.096 0.084374 0.4398 0.118 0.09773 0.5431 0.297 0.27462 1.553 1.4641 0.8597 3558873 ACon1_001156 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J19 compound treatment 0.043 0.031374 0.1635 -0.074 -0.09427 -0.5239 0.114 0.09162 0.5181 0.0911 0.1207 3554748 ACon1_001157 COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J20 compound treatment 0.056 0.044374 0.2313 -0.052 -0.07227 -0.4016 0.374 0.35162 1.9885 1.0497 0.5141 3558844 ACon1_001158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J21 mock treatment 0.174 0.16237 0.8463 -0.102 -0.12227 -0.6795 -0.071 -0.09338 -0.5281 -0.2086 -0.1728 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J22 mock treatment -0.006 -0.017626 -0.0919 -0.024 -0.04427 -0.246 -0.067 -0.08938 -0.5055 -0.4869 -0.8548 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J23 compound treatment 0.119 0.10737 0.5597 0.167 0.14673 0.8154 0.143 0.12062 0.6821 1.1877 0.9886 3555129 ACon1_001159 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 J24 compound treatment -0.026 -0.037626 -0.1961 0.042 0.02173 0.1208 0.136 0.11362 0.6425 0.3275 0.4798 3552652 ACon1_001160 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@]4(C)[C@H](CCC=C4C)[C@@]1(C)CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K01 compound treatment -0.14 -0.15163 -0.7903 0.036 0.01573 0.0874 0.076 0.05362 0.3032 -0.2307 -0.2711 3554770 ACon1_001161 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K02 compound treatment 0.052 0.040374 0.2104 0.045 0.02473 0.1374 -0.046 -0.06838 -0.3867 -0.0224 -0.0486 3558741 ACon1_001162 C[C@@]1(CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K03 compound treatment 0.13 0.11837 0.617 0.014 -0.00627 -0.0348 0.181 0.15862 0.897 0.854 0.784 3558575 ACon1_001163 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K04 compound treatment 0.069 0.057374 0.299 0.139 0.11873 0.6598 0.113 0.09062 0.5125 0.8495 0.9573 3553892 ACon1_001164 CC1[C@@H]2CC[C@@]3(C)[C@H](O)C[C@H](O)C(=C)C3[C@H]2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K05 compound treatment -0.037 -0.048626 -0.2534 0.137 0.11673 0.6487 0.14 0.11762 0.6652 0.6122 0.6357 3558807 ACon1_001165 C[C@H]1[C@@H]2CC/C(=C/C[C@H](O)/C(=C/[C@H]2OC1=O)/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K06 compound treatment 0.128 0.11637 0.6066 -0.023 -0.04327 -0.2405 0.067 0.04462 0.2523 0.3571 0.5104 3552732 ACon1_001166 C[C@@H]1N2[C@H]3N(C1=O)c4ccccc4[C@@]3(O)C[C@@H]5C(=O)N[C@]2(C)c6nc7ccccc7c(=O)n56 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K07 mock treatment -0.03 -0.041626 -0.217 -0.093 -0.11327 -0.6295 0.0 -0.02238 -0.1266 -0.5618 -0.8289 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K08 mock treatment -0.075 -0.086626 -0.4515 0.086 0.06573 0.3653 0.094 0.07162 0.405 0.1841 0.2599 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K09 compound treatment 0.048 0.036374 0.1896 -0.018 -0.03827 -0.2127 -0.036 -0.05838 -0.3301 -0.2039 -0.4677 3558702 ACon1_001167 CC(=CCC/C(=C/CC/C(=C/CC\C(=C\COC(=O)C)\COC(=O)C)/C)/C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K10 compound treatment 0.025 0.013374 0.0697 0.197 0.17673 0.9821 0.06 0.03762 0.2127 0.7301 0.7248 3558881 ACon1_001168 COc1cc(ccc1O)[C@H]2Oc3c(cc(CCCO)cc3O)[C@@H]2CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K11 compound treatment 0.019 0.0073745 0.0384 -0.057 -0.07727 -0.4294 0.0 -0.02238 -0.1266 -0.2988 -0.665 3558728 ACon1_001169 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(C(=O)CCc4ccc(O)cc4)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K12 compound treatment 0.156 0.14437 0.7525 0.164 0.14373 0.7987 0.076 0.05362 0.3032 1.0707 0.9404 3558883 ACon1_001170 COc1c(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K13 compound treatment -0.02 -0.031626 -0.1648 -0.007 -0.02727 -0.1515 0.05 0.02762 0.1562 -0.0925 -0.3388 3558821 ACon1_001171 OCC1OC(OC2CC3C(C4OC(=O)C(=C)C4C(O)CC3=C)C2=C)C(O)C(OC(=O)/C=C/c5ccc(O)c(O)c5)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K14 compound treatment 0.118 0.10637 0.5544 0.032 0.01173 0.0652 0.053 0.03062 0.1732 0.4577 0.7831 3558928 ACon1_001172 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(O)CCC3(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K15 mock treatment -0.057 -0.068626 -0.3577 -0.007 -0.02727 -0.1515 -0.04 -0.06238 -0.3528 -0.4977 -0.9484 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K16 mock treatment 0.012 3.7448E-4 0.002 -0.153 -0.17327 -0.9629 0.006 -0.01638 -0.0926 -0.6083 -0.6288 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K17 compound treatment 0.09 0.078374 0.4085 -0.012 -0.03227 -0.1793 0.077 0.05462 0.3089 0.3107 0.5725 3558508 ACon1_001173 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/C(C)C(=O)C2(O)C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)C2[C@H]3OC(=O)CC[C@]31OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K18 compound treatment 0.113 0.10137 0.5284 0.067 0.04673 0.2597 0.206 0.18362 1.0384 1.0545 0.8834 3558941 ACon1_001174 CC(C)CC(=O)c1c(O)cc(O)cc1OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K19 compound treatment 0.006 -0.0056255 -0.0293 0.025 0.00473 0.0263 0.0 -0.02238 -0.1266 -0.0748 -0.5645 3558693 ACon1_001175 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)C(C)Cl)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K20 compound treatment -0.212 -0.22363 -1.1656 -0.13 -0.15027 -0.8351 -0.082 -0.10438 -0.5903 -1.4959 -0.9647 3558988 ACon1_001176 CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K21 compound treatment 0.072 0.060374 0.3147 0.033 0.01273 0.0707 -0.084 -0.10638 -0.6016 -0.1248 -0.1828 3559019 ACon1_001177 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC=C8[C@@H]9CC(C)(C)CC[C@@]9(CC[C@]87C)C(=O)O)[C@]5(C)CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K22 compound treatment 0.042 0.030374 0.1583 0.045 0.02473 0.1374 0.024 0.0016202 0.0092 0.176 0.8389 3559027 ACon1_001178 CC(=O)OC[C@]1(O)C[C@@]2(C[C@H]1CC[C@H]23)CC[C@@H]4[C@@](C)(CCC[C@@]34C)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K23 mock treatment 0.039 0.027374 0.1427 -0.087 -0.10727 -0.5961 -0.112 -0.13438 -0.7599 -0.7005 -0.7175 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 K24 mock treatment 0.025 0.013374 0.0697 0.032 0.01173 0.0652 0.006 -0.01638 -0.0926 0.0244 0.1835 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L01 compound treatment -0.04 -0.051626 -0.2691 0.056 0.03573 0.1986 -0.026 -0.04838 -0.2736 -0.1987 -0.4598 3554154 ACon1_001179 CCC(C)c1cnc(Cc2ccccc2)c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L02 compound treatment 0.026 0.014374 0.0749 -0.043 -0.06327 -0.3516 0.08 0.05762 0.3259 0.0284 0.0585 3557616 ACon1_001180 COc1cc(cc(OC)c1O)C2C(COC3OCC(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L03 compound treatment 0.186 0.17437 0.9089 0.139 0.11873 0.6598 0.297 0.27462 1.553 1.8023 0.9404 3554516 ACon1_001181 CO[C@H]1C(=O)Nc2ccc(/C=C/C3(C)CCC(C)(C)CO3)c(O)c2[C@]1(O)c4ccc(OC)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L04 compound treatment 0.091 0.079374 0.4137 -0.074 -0.09427 -0.5239 -0.062 -0.08438 -0.4772 -0.3391 -0.4133 3559072 ACon1_001182 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L05 compound treatment 0.149 0.13737 0.716 0.207 0.18673 1.0377 0.12 0.09762 0.5521 1.3312 0.9672 3557828 ACon1_001183 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L06 compound treatment 0.124 0.11237 0.5857 0.067 0.04673 0.2597 -0.047 -0.06938 -0.3924 0.2616 0.3482 2095398 ACon1_001184 CC(=CCCC1(C)Oc2ccc3c4cc(C)c(O)cc4[nH]c3c2C=C1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L07 mock treatment -0.05 -0.061626 -0.3212 -0.086 -0.10627 -0.5906 0.065 0.04262 0.241 -0.3873 -0.5422 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L08 mock treatment 1.117 1.1054 5.4558 0.056 0.03573 0.1986 -0.115 -0.13738 -0.7769 2.816 0.5107 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L09 compound treatment -0.077 -0.088626 -0.4619 0.017 -0.00327 -0.0182 -0.123 -0.14538 -0.8221 -0.7519 -0.7971 3558935 ACon1_001185 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L10 compound treatment 0.111 0.099374 0.518 -0.013 -0.03327 -0.1849 -0.034 -0.05638 -0.3188 0.0082 0.0129 3558649 ACon1_001186 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@]31CC[C@](C)(CC(=O)O)O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L11 compound treatment -0.262 -0.27363 -1.4262 0.075 0.05473 0.3041 0.179 0.15662 0.8857 -0.1365 -0.08 3557542 ACon1_001187 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)c(C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)c(O)c6)c3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L12 compound treatment 0.229 0.21737 1.133 0.107 0.08673 0.482 0.077 0.05462 0.3089 1.1107 0.875 3558613 ACon1_001188 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L13 compound treatment 0.103 0.091374 0.4763 -0.025 -0.04527 -0.2516 0.047 0.02462 0.1392 0.2101 0.3777 3558939 ACon1_001189 CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L14 compound treatment 0.081 0.069374 0.3616 -0.006 -0.02627 -0.146 0.321 0.29862 1.6888 1.0995 0.6344 3558993 ACon1_001190 CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L15 mock treatment 0.065 0.053374 0.2782 0.032 0.01173 0.0652 -0.032 -0.05438 -0.3075 0.0207 0.0493 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L16 mock treatment -0.115 -0.12663 -0.66 -0.061 -0.08127 -0.4516 0.011 -0.01138 -0.0644 -0.679 -0.8462 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L17 compound treatment 0.244 0.23237 1.2112 0.738 0.71773 3.9885 0.655 0.63262 3.5776 5.0676 0.9225 3559131 ACon1_001191 C[C@@]1(CCC[C@@]2(C)C3CCC4CC3(C[C@@]4(O)CO)CCC12)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L18 compound treatment 0.0 -0.011626 -0.0606 -0.024 -0.04427 -0.246 0.041 0.01862 0.1053 -0.1162 -0.4236 3559237 ACon1_001192 O[C@H]1[C@@H](Oc2c([C@H]3[C@@H](Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)c(O)cc(O)c2C1=O)c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L19 compound treatment -0.046 -0.057626 -0.3004 -0.076 -0.09627 -0.535 0.006 -0.01638 -0.0926 -0.5358 -0.8635 3559639 ACon1_001193 CC(=O)/C=C(\O)/C=C/c1ccc(O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L20 compound treatment -0.097 -0.10863 -0.5662 -0.012 -0.03227 -0.1793 0.033 0.01062 0.0601 -0.3957 -0.663 3554658 ACon1_001194 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)c(O)c3)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L21 compound treatment 0.188 0.17637 0.9193 -0.161 -0.18127 -1.0073 -0.055 -0.07738 -0.4376 -0.3035 -0.2119 3557983 ACon1_001195 CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L22 compound treatment 0.136 0.12437 0.6483 0.148 0.12773 0.7098 0.053 0.03062 0.1732 0.8841 0.9051 3554257 ACon1_001196 CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L23 mock treatment 0.026 0.014374 0.0749 -0.012 -0.03227 -0.1793 0.006 -0.01638 -0.0926 -0.1138 -0.5284 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 L24 mock treatment -0.102 -0.11363 -0.5922 -0.134 -0.15427 -0.8573 0.107 0.08462 0.4785 -0.5606 -0.4889 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M01 compound treatment 0.076 0.064374 0.3355 -0.15 -0.17027 -0.9462 0.152 0.12962 0.733 0.0706 0.0568 2110684 ACon1_001197 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43C=O)OC(=O)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M02 compound treatment 0.048 0.036374 0.1896 0.034 0.01373 0.0763 -0.006 -0.02838 -0.1605 0.0609 0.2342 3558775 ACon1_001198 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M03 compound treatment 0.056 0.044374 0.2313 0.106 0.08573 0.4764 -0.072 -0.09438 -0.5337 0.1004 0.1336 3557303 ACon1_001199 COc1cc(O)cc2CC(C)OC(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M04 compound treatment -0.048 -0.059626 -0.3108 -0.031 -0.05127 -0.2849 -0.031 -0.05338 -0.3019 -0.5182 -0.9994 3558815 ACon1_001200 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M05 compound treatment -0.047 -0.058626 -0.3056 0.108 0.08773 0.4875 0.171 0.14862 0.8405 0.5903 0.5795 3553725 ACon1_001201 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(CN3CCCC3C(=O)O)[C@@H]21)/CO)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M06 compound treatment 0.084 0.072374 0.3772 0.198 0.17773 0.9877 0.167 0.14462 0.8179 1.2602 0.9428 3558829 ACon1_001202 CC1CCCC2=CC(OC2=O)C(C)(C)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M07 compound treatment -0.108 -0.11963 -0.6235 -0.084 -0.10427 -0.5794 -0.111 -0.13338 -0.7543 -1.13 -0.9936 3558899 ACon1_001203 CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M08 compound treatment 0.069 0.057374 0.299 -0.024 -0.04427 -0.246 0.178 0.15562 0.8801 0.5387 0.5603 3558868 ACon1_001204 CC(=O)CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M09 mock treatment -0.082 -0.093626 -0.488 -0.036 -0.05627 -0.3127 0.088 0.06562 0.3711 -0.248 -0.3604 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M10 mock treatment 0.133 0.12137 0.6326 -0.036 -0.05627 -0.3127 0.113 0.09062 0.5125 0.4806 0.551 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M11 compound treatment 0.204 0.19237 1.0027 0.173 0.15273 0.8487 0.012 -0.01038 -0.0587 1.035 0.7871 3558753 ACon1_001205 CC(=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)c4ccc(O)cc4O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M12 compound treatment 0.141 0.12937 0.6743 0.25 0.22973 1.2766 -0.013 -0.03538 -0.2001 1.0109 0.6935 3558895 ACon1_001206 C[C@H]1O[C@@H](OC(C)(C)C2CCC(=CC2)C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M13 mock treatment 0.014 0.0023745 0.0124 -0.007 -0.02727 -0.1515 0.078 0.05562 0.3145 0.1013 0.2898 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M14 mock treatment -0.041 -0.052626 -0.2743 0.143 0.12273 0.682 -0.028 -0.05038 -0.2849 0.0709 0.0899 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M15 compound treatment 0.093 0.081374 0.4241 0.026 0.00573 0.0318 0.101 0.07862 0.4446 0.52 0.8451 3558864 ACon1_001207 C/C(=C\CC[C@@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13OC(=O)\C(=C\CC[C@](C)(O)C=C)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M16 compound treatment 0.0 -0.011626 -0.0606 0.019 -0.00127 -0.0071 0.261 0.23862 1.3494 0.74 0.5478 3558691 ACon1_001208 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(=C)CO)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M17 compound treatment -0.018 -0.029626 -0.1544 0.012 -0.00827 -0.046 -0.018 -0.04038 -0.2284 -0.2475 -0.8857 3558897 ACon1_001209 CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M18 compound treatment 0.011 -6.2552E-4 -0.0033 0.077 0.05673 0.3153 0.398 0.37562 2.1242 1.4065 0.655 3558942 ACon1_001210 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M19 compound treatment 0.246 0.23437 1.2216 0.005 -0.01527 -0.0849 -0.258 -0.28038 -1.5856 -0.2591 -0.1293 3553659 ACon1_001211 CC(C)CCCC/C=C\CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M20 compound treatment -0.019 -0.030626 -0.1596 0.019 -0.00127 -0.0071 0.05 0.02762 0.1562 -0.0061 -0.0271 3558700 ACon1_001212 CC(=O)OC/C=C(\C)/CC/C=C(\C)/C(C/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M21 compound treatment -0.044 -0.055626 -0.2899 -0.052 -0.07227 -0.4016 0.032 0.0096202 0.0544 -0.3679 -0.7382 3614729 ACon1_001213 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M22 compound treatment -0.383 -0.39463 -2.0569 -0.432 -0.45227 -2.5133 -0.322 -0.34438 -1.9475 -3.763 -0.9937 3559009 ACon1_001214 CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M23 compound treatment 0.082 0.070374 0.3668 -0.05 -0.07027 -0.3905 -0.061 -0.08338 -0.4715 -0.2859 -0.4006 3558724 ACon1_001215 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](OC(=O)C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 M24 compound treatment 0.137 0.12537 0.6535 0.112 0.09173 0.5098 -0.079 -0.10138 -0.5733 0.3406 0.338 3558423 ACon1_001216 C[C@]1(CCC[C@@]2(C)C3CCC4CC3(CC4=C)CCC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N01 compound treatment -0.052 -0.063626 -0.3316 -0.112 -0.13227 -0.735 0.229 0.20662 1.1685 0.0588 0.0414 1000005 ACon1_001217 CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N02 compound treatment -0.022 -0.033626 -0.1753 0.086 0.06573 0.3653 0.178 0.15562 0.8801 0.6178 0.6377 2119184 ACon1_001218 CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N03 compound treatment -0.027 -0.038626 -0.2013 -0.021 -0.04127 -0.2293 0.036 0.01362 0.077 -0.2042 -0.6487 3553469 ACon1_001219 CC(C)(O)C1=CC23CC[C@H]4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N04 compound treatment 0.113 0.10137 0.5284 0.019 -0.00127 -0.0071 -0.137 -0.15938 -0.9013 -0.2194 -0.21 3614731 ACon1_001220 CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N05 compound treatment 0.024 0.012374 0.0645 -0.012 -0.03227 -0.1793 0.102 0.07962 0.4503 0.1937 0.3961 3558777 ACon1_001221 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N06 compound treatment 0.071 0.059374 0.3095 0.03 0.00973 0.0541 -0.019 -0.04138 -0.234 0.0748 0.1909 3559649 ACon1_001222 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N07 compound treatment 0.082 0.070374 0.3668 -0.068 -0.08827 -0.4905 0.09 0.06762 0.3824 0.1494 0.2068 3553701 ACon1_001223 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N08 compound treatment -0.006 -0.017626 -0.0919 -0.065 -0.08527 -0.4739 0.139 0.11662 0.6595 0.0541 0.0663 3557653 ACon1_001224 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N09 mock treatment 0.055 0.043374 0.2261 -0.083 -0.10327 -0.5739 0.089 0.06662 0.3767 0.0167 0.0231 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N10 mock treatment -0.031 -0.042626 -0.2222 0.085 0.06473 0.3597 -0.025 -0.04738 -0.2679 -0.0753 -0.1504 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N11 compound treatment 0.095 0.083374 0.4346 0.301 0.28073 1.5601 0.172 0.14962 0.8461 1.6401 0.8976 3559029 ACon1_001225 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N12 compound treatment -0.034 -0.045626 -0.2378 0.042 0.02173 0.1208 -0.031 -0.05338 -0.3019 -0.2419 -0.6004 1077975 ACon1_001226 COc1cc(CCC(=O)O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N13 mock treatment 0.191 0.17937 0.9349 0.146 0.12573 0.6987 0.207 0.18462 1.0441 1.546 0.9872 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N14 mock treatment 0.029 0.017374 0.0906 -0.042 -0.06227 -0.346 -0.013 -0.03538 -0.2001 -0.263 -0.6417 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N15 compound treatment -0.142 -0.15363 -0.8007 0.079 0.05873 0.3264 0.179 0.15662 0.8857 0.2375 0.1919 2060475 ACon1_001227 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N16 compound treatment 0.161 0.14937 0.7786 0.236 0.21573 1.1988 0.061 0.03862 0.2184 1.2678 0.8767 3558625 ACon1_001228 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N17 compound treatment 0.049 0.037374 0.1948 -0.012 -0.03227 -0.1793 -0.064 -0.08638 -0.4885 -0.2731 -0.4915 3559125 ACon1_001229 COc1ccc(cc1OC)C2OCC3[C@@H](OCC23)c4ccc(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N18 compound treatment -0.012 -0.023626 -0.1231 0.061 0.04073 0.2263 -0.057 -0.07938 -0.4489 -0.1996 -0.3856 3559207 ACon1_001230 CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)C=C4CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N19 compound treatment 0.057 0.045374 0.2365 0.098 0.07773 0.432 0.161 0.13862 0.7839 0.8385 0.9058 3559663 ACon1_001231 CC(=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N20 compound treatment 0.11 0.098374 0.5128 -0.118 -0.13827 -0.7684 0.137 0.11462 0.6482 0.2266 0.2008 3559567 ACon1_001232 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=CC[C@@H]12)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N21 compound treatment -0.03 -0.041626 -0.217 -0.012 -0.03227 -0.1793 0.039 0.01662 0.094 -0.1745 -0.5881 3558313 ACon1_001233 COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N22 compound treatment -0.083 -0.094626 -0.4932 0.105 0.08473 0.4709 0.05 0.02762 0.1562 0.0773 0.1105 3554671 ACon1_001234 COC(=O)C1=C2C(Oc3cc(CO)cc(O)c3C2=O)C(O)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N23 compound treatment 0.03 0.018374 0.0958 0.142 0.12173 0.6765 0.11 0.08762 0.4955 0.7319 0.8672 3558632 ACon1_001235 C/C=C(\C)/C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 N24 compound treatment -0.027 -0.038626 -0.2013 0.042 0.02173 0.1208 -0.081 -0.10338 -0.5846 -0.3841 -0.6096 3559148 ACon1_001236 OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O[C@H]5OC[C@](O)(CO)[C@H]5O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O01 compound treatment 0.071 0.059374 0.3095 0.014 -0.00627 -0.0348 -0.022 -0.04438 -0.251 0.0137 0.0341 3559908 ACon1_001237 CC1(CO)Oc2cc(O)c3c(=O)c(coc3c2C=C1)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O02 compound treatment 0.034 0.022374 0.1166 -0.041 -0.06127 -0.3405 -0.129 -0.15138 -0.8561 -0.6235 -0.6714 3558779 ACon1_001238 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O03 compound treatment 0.09 0.078374 0.4085 0.094 0.07373 0.4097 0.103 0.08062 0.4559 0.7356 0.9987 3553208 ACon1_001239 CC(=O)c1cc(C)c(O)c(COC2OC(CO)C(O)C(O)C2O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O04 compound treatment -0.029 -0.040626 -0.2117 0.03 0.00973 0.0541 0.141 0.11862 0.6708 0.2963 0.4199 3558817 ACon1_001240 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O05 compound treatment 0.128 0.11637 0.6066 -0.018 -0.03827 -0.2127 0.098 0.07562 0.4276 0.4743 0.6144 3558838 ACon1_001241 COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O06 compound treatment 0.238 0.22637 1.1799 0.022 0.00173 0.0096 0.181 0.15862 0.897 1.2047 0.8128 3558830 ACon1_001242 CC(=O)OC1/C=C(/CCC=C(C)C(=O)C=CC1(C)C)\C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O07 compound treatment 0.259 0.24737 1.2894 0.084 0.06373 0.3542 -0.081 -0.10338 -0.5846 0.6114 0.4189 3554193 ACon1_001243 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O08 compound treatment 0.251 0.23937 1.2477 0.061 0.04073 0.2263 0.097 0.07462 0.422 1.0947 0.8191 3558870 ACon1_001244 CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O09 compound treatment -0.065 -0.076626 -0.3994 0.173 0.15273 0.8487 0.017 -0.0053798 -0.0304 0.2419 0.2577 3614735 ACon1_001245 OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O10 compound treatment 0.325 0.31337 1.6334 0.201 0.18073 1.0043 0.449 0.42662 2.4126 2.9158 0.9461 3558880 ACon1_001246 CC1OC(OC2C(O)C(O)C(OC2Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)C(=O)O)C(O)C(O)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O11 mock treatment 0.088 0.076374 0.3981 0.091 0.07073 0.3931 -0.123 -0.14538 -0.8221 -0.0179 -0.018 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O12 mock treatment -0.013 -0.024626 -0.1284 0.057 0.03673 0.2041 0.017 -0.0053798 -0.0304 0.0262 0.1077 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O13 compound treatment 0.006 -0.0056255 -0.0293 -0.184 -0.20427 -1.1352 -0.377 -0.39938 -2.2586 -1.9763 -0.7818 3558794 ACon1_001247 CCCCCCCCCCCC(O)CC(=O)OCC(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O14 compound treatment -0.06 -0.071626 -0.3733 -0.055 -0.07527 -0.4183 0.068 0.04562 0.258 -0.3081 -0.4992 3555946 ACon1_001248 OC1CCC(O)(C(=O)O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O15 compound treatment -0.035 -0.046626 -0.243 0.14 0.11973 0.6654 0.014 -0.0083798 -0.0474 0.2165 0.3049 3558871 ACon1_001249 CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O16 compound treatment 0.081 0.069374 0.3616 0.076 0.05573 0.3097 0.038 0.01562 0.0883 0.4386 0.9057 3558697 ACon1_001250 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C/C)/C)C1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O17 compound treatment 0.083 0.071374 0.372 -0.012 -0.03227 -0.1793 -0.049 -0.07138 -0.4037 -0.1218 -0.2109 3558900 ACon1_001251 CCC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O18 compound treatment 0.158 0.14637 0.7629 0.028 0.00773 0.043 0.006 -0.01638 -0.0926 0.4118 0.535 3557674 ACon1_001252 OC1COC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O19 compound treatment 0.093 0.081374 0.4241 0.135 0.11473 0.6376 0.0 -0.02238 -0.1266 0.5399 0.6956 3558944 ACon1_001253 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O20 compound treatment -0.108 -0.11963 -0.6235 0.071 0.05073 0.2819 0.061 0.03862 0.2184 -0.0711 -0.099 3559017 ACon1_001254 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O21 compound treatment 0.322 0.31037 1.6177 0.147 0.12673 0.7043 -0.059 -0.08138 -0.4602 1.0749 0.5895 3555821 ACon1_001255 OC(=O)C(CCCCCCOC(=O)C(=O)OCCCCCCC(C(=O)O)C(=C)C(=O)O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O22 compound treatment -0.435 -0.44663 -2.3279 -0.289 -0.30927 -1.7187 -0.313 -0.33538 -1.8966 -3.4313 -0.9918 3559011 ACon1_001256 CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O23 compound treatment 0.006 -0.0056255 -0.0293 -0.012 -0.03227 -0.1793 -0.019 -0.04138 -0.234 -0.2556 -0.8626 3558726 ACon1_001257 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc(O)c4c(=O)cc(oc34)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 O24 compound treatment 0.06 0.048374 0.2521 0.069 0.04873 0.2708 -0.127 -0.14938 -0.8448 -0.1858 -0.2015 3557891 ACon1_001258 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)CC(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P01 compound treatment -0.16 -0.17163 -0.8946 -0.462 -0.48227 -2.6801 -0.309 -0.33138 -1.874 -3.1458 -0.9278 1104287 ACon1_001259 CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P02 compound treatment -0.018 -0.029626 -0.1544 0.194 0.17373 0.9654 0.176 0.15362 0.8688 0.9698 0.7415 3559023 ACon1_001260 CC(=C)C(=O)OC1CC(CO)CCC/C(=C/C2OC(=O)C(=C)C21)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P03 compound treatment -0.037 -0.048626 -0.2534 0.033 0.01273 0.0707 0.065 0.04262 0.241 0.0337 0.0944 3558101 ACon1_001261 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P04 compound treatment -0.19 -0.20163 -1.0509 -0.089 -0.10927 -0.6072 -0.073 -0.09538 -0.5394 -1.2688 -0.9552 3554885 ACon1_001262 COc1cc(ccc1O)C2Oc3c(C2CO)c(ccc3O)[C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P05 compound treatment 0.071 0.059374 0.3095 0.172 0.15173 0.8432 0.024 0.0016202 0.0092 0.6708 0.7468 1034727 ACon1_001263 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P06 compound treatment -0.138 -0.14963 -0.7799 -0.246 -0.26627 -1.4797 -0.18 -0.20238 -1.1445 -1.9653 -0.9697 3559423 ACon1_001264 OCC(Cc1ccc2OCOc2c1)C(CO)Cc3ccc4OCOc4c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P07 compound treatment -0.074 -0.085626 -0.4463 -0.058 -0.07827 -0.435 0.101 0.07862 0.4446 -0.2521 -0.3293 1096015 ACon1_001265 CC12CC(O)CC(C)(C)C2=CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P08 compound treatment -0.046 -0.057626 -0.3004 0.025 0.00473 0.0263 0.059 0.03662 0.2071 -0.0387 -0.1057 1115322 ACon1_001266 COc1ccn(C)c(=O)c1C#N 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P09 compound treatment -0.006 -0.017626 -0.0919 0.006 -0.01427 -0.0793 0.067 0.04462 0.2523 0.0469 0.1674 3558968 ACon1_001267 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)c(O)c6)c7ccc(O)cc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P10 compound treatment 0.099 0.087374 0.4554 -0.019 -0.03927 -0.2182 0.145 0.12262 0.6934 0.5373 0.6263 288 ACon1_001268 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P11 mock treatment -0.006 -0.017626 -0.0919 0.043 0.02273 0.1263 0.044 0.02162 0.1223 0.0905 0.4561 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P12 mock treatment -0.067 -0.078626 -0.4098 -0.042 -0.06227 -0.346 -0.006 -0.02838 -0.1605 -0.5291 -0.945 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P13 compound treatment 0.07 0.058374 0.3043 -0.039 -0.05927 -0.3294 -0.087 -0.10938 -0.6186 -0.3716 -0.4864 3558980 ACon1_001269 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(CO)CCCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P14 compound treatment 0.02 0.0083745 0.0436 -0.321 -0.34127 -1.8965 -0.245 -0.26738 -1.5121 -1.9427 -0.8008 3558996 ACon1_001270 CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P15 compound treatment -0.042 -0.053626 -0.2795 -0.02 -0.04027 -0.2238 0.045 0.02262 0.1279 -0.2167 -0.57 3555936 ACon1_001271 Oc1ccc(/C=C/c2cc3O[C@H]([C@@H](c3c(O)c2)c4cc5O[C@@H]([C@H](c5c(O)c4)c6cc(O)cc(O)c6)c7ccc(O)c(O)c7)c8ccc(O)cc8)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P16 compound treatment 0.075 0.063374 0.3303 -0.011 -0.03127 -0.1738 0.013 -0.0093798 -0.053 0.0598 0.1585 3559197 ACon1_001272 CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]2O[C@H]2c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P17 compound treatment 0.005 -0.0066255 -0.0345 0.116 0.09573 0.532 0.044 0.02162 0.1223 0.3578 0.6542 3559114 ACon1_001273 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P18 compound treatment 0.017 0.0053745 0.028 0.111 0.09073 0.5042 0.071 0.04862 0.275 0.466 0.8105 1025510 ACon1_001274 COc1ccc(cc1OC)C2OCC3(O)C(OCC23)c4ccc(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P19 compound treatment -0.116 -0.12763 -0.6652 -0.012 -0.03227 -0.1793 0.148 0.12562 0.7104 -0.0774 -0.0783 2141039 ACon1_001275 CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P20 compound treatment -0.093 -0.10463 -0.5453 0.019 -0.00127 -0.0071 -0.045 -0.06738 -0.381 -0.5389 -0.81 3552212 ACon1_001276 C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P21 compound treatment 0.123 0.11137 0.5805 -0.089 -0.10927 -0.6072 0.086 0.06362 0.3598 0.1923 0.2104 3552101 ACon1_001277 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P22 compound treatment 0.061 0.049374 0.2574 0.188 0.16773 0.9321 0.224 0.20162 1.1402 1.345 0.8997 3558924 ACon1_001278 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P23 compound treatment 0.027 0.015374 0.0801 0.169 0.14873 0.8265 0.146 0.12362 0.6991 0.9271 0.8541 3557752 ACon1_001279 OCC1OC(Oc2cc(O)c3C(=O)C(O)C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2293 P24 compound treatment 0.031 0.019374 0.101 0.024 0.00373 0.0207 0.067 0.04462 0.2523 0.216 0.7923 1102176 ACon1_001280 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A01 compound treatment -0.074 -0.085626 -0.4463 -0.164 -0.18427 -1.024 -0.097 -0.11938 -0.6751 -1.2387 -0.949 3555976 ACon1_001281 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A02 compound treatment -0.146 -0.15763 -0.8216 -0.053 -0.07327 -0.4072 -0.119 -0.14138 -0.7995 -1.171 -0.9626 3557285 ACon1_001282 COC(=O)[C@]12Oc3cc(C)c(c(O)c3C(=O)C2=C(O)CC[C@@H]1O)c4ccc(O)c5C(=O)C6=C(O)C[C@H](C)[C@H](OC(=O)C)[C@@]6(Oc45)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A03 compound treatment 0.028 0.016374 0.0853 -0.076 -0.09627 -0.535 -0.02 -0.04238 -0.2397 -0.398 -0.6718 3554124 ACon1_001283 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A04 compound treatment -0.193 -0.20463 -1.0666 0.0 -0.02027 -0.1126 -0.046 -0.06838 -0.3867 -0.9041 -0.793 3558541 ACon1_001284 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A05 compound treatment -0.094 -0.10563 -0.5505 0.012 -0.00827 -0.046 0.013 -0.0093798 -0.053 -0.375 -0.6757 3559091 ACon1_001285 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3OC(=O)c6cc(O)c(O)c(O)c6c7c(O)c(O)c(O)cc7C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A06 compound treatment 0.312 0.30037 1.5656 -0.049 -0.06927 -0.3849 0.133 0.11062 0.6256 1.0428 0.603 3559109 ACon1_001286 COc1c(O)c(O)cc2ccc3cccc(O)c3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A07 compound treatment -0.081 -0.092626 -0.4828 0.195 0.17473 0.971 -0.011 -0.03338 -0.1888 0.1729 0.1571 3557604 ACon1_001287 COc1cc(O[C@@H]2O[C@H](COC3OCC(O)C(O)C3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A08 compound treatment -0.142 -0.15363 -0.8007 0.0 -0.02027 -0.1126 -0.187 -0.20938 -1.1841 -1.211 -0.8446 3559066 ACon1_001288 OC[C@H]1O[C@@H](Oc2ccc(COC(=O)CC(O)(CC(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)C(=O)OCc5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A09 compound treatment 0.224 0.21237 1.1069 -0.017 -0.03727 -0.2071 0.033 0.01062 0.0601 0.5542 0.4914 3559055 ACon1_001289 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A10 compound treatment -0.108 -0.11963 -0.6235 -0.043 -0.06327 -0.3516 -0.04 -0.06238 -0.3528 -0.7667 -0.9607 3559247 ACon1_001290 COc1c(C)c(O)c(C)c(O)c1C(=O)CCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A11 compound treatment 0.061 0.049374 0.2574 -0.061 -0.08127 -0.4516 -0.019 -0.04138 -0.234 -0.2473 -0.4338 3552701 ACon1_001291 C[C@@H]1CC[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@]41C[C@@H](OC4=O)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A12 compound treatment 0.111 0.099374 0.518 0.032 0.01173 0.0652 0.05 0.02762 0.1562 0.4269 0.7834 3559273 ACon1_001292 COC(=O)[C@H](OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A13 mock treatment -0.027 -0.038626 -0.2013 -0.079 -0.09927 -0.5517 -0.026 -0.04838 -0.2736 -0.5927 -0.9149 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A14 mock treatment -0.012 -0.023626 -0.1231 -0.118 -0.13827 -0.7684 -0.204 -0.22638 -1.2802 -1.2539 -0.8369 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A15 compound treatment 0.062 0.050374 0.2626 -0.062 -0.08227 -0.4572 0.065 0.04262 0.241 0.0268 0.0462 2097145 ACon1_001293 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(CC(C)C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A16 compound treatment -0.154 -0.16563 -0.8633 0.02 -2.7002E-4 -0.0015 0.05 0.02762 0.1562 -0.4091 -0.4663 3559137 ACon1_001294 O=C(CCc1ccccc1)/C=C/CCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A17 compound treatment -0.025 -0.036626 -0.1909 0.067 0.04673 0.2597 0.128 0.10562 0.5973 0.3846 0.5666 3552685 ACon1_001295 C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)C23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A18 compound treatment 0.048 0.036374 0.1896 0.025 0.00473 0.0263 0.06 0.03762 0.2127 0.2475 0.8647 3559173 ACon1_001296 COc1cc(OC)c(cc1OC)C(O)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A19 compound treatment -0.207 -0.21863 -1.1395 -0.197 -0.21727 -1.2074 -0.163 -0.18538 -1.0484 -1.9603 -0.9983 3189183 ACon1_001297 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A20 compound treatment 0.093 0.081374 0.4241 -0.204 -0.22427 -1.2463 0.143 0.12062 0.6821 -0.0808 -0.0545 3559107 ACon1_001298 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC(C)(C=C3CCC12)C(=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A21 compound treatment 1.41 1.3984 6.0974 1.288 1.2677 6.1933 1.307 1.2846 6.3363 10.7543 0.9999 3557672 ACon1_001299 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A22 compound treatment 0.08 0.068374 0.3564 0.191 0.17073 0.9488 0.157 0.13462 0.7613 1.1931 0.9412 3559201 ACon1_001300 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A23 compound treatment 0.041 0.029374 0.1531 0.013 -0.00727 -0.0404 -0.08 -0.10238 -0.579 -0.2692 -0.4485 2089505 ACon1_001301 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 A24 compound treatment 0.026 0.014374 0.0749 -0.013 -0.03327 -0.1849 -0.201 -0.22338 -1.2633 -0.7928 -0.6199 3557367 ACon1_001302 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)C[C@@]42C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B01 compound treatment 0.006 -0.0056255 -0.0293 0.052 0.03173 0.1763 0.031 0.0086202 0.0487 0.113 0.61 3553926 ACon1_001303 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B02 compound treatment 0.103 0.091374 0.4763 0.0 -0.02027 -0.1126 -0.013 -0.03538 -0.2001 0.0944 0.1786 3614774 ACon1_001304 CCCC(O)c1c(O)cccc1C(=O)CC(O)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B03 compound treatment -0.071 -0.082626 -0.4307 0.063 0.04273 0.2375 -0.041 -0.06338 -0.3584 -0.3185 -0.5234 3553162 ACon1_001305 C[C@H]1OC(=O)c2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B04 compound treatment 0.067 0.055374 0.2886 0.143 0.12273 0.682 -0.03 -0.05238 -0.2962 0.3894 0.4882 3614776 ACon1_001306 COc1ccc(/C=C/c2cc(OC)cc3OC(C)(C)CCc23)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B05 compound treatment 0.113 0.10137 0.5284 0.095 0.07473 0.4153 0.012 -0.01038 -0.0587 0.5109 0.7574 3614779 ACon1_001307 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C(=C\C)/C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2CC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B06 compound treatment 0.018 0.0063745 0.0332 0.065 0.04473 0.2486 0.148 0.12562 0.7104 0.5728 0.7604 1032451 ACon1_001308 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B07 compound treatment -0.18 -0.19163 -0.9988 0.073 0.05273 0.293 0.105 0.08262 0.4672 -0.1377 -0.1207 3614784 ACon1_001309 CC(C)C1=C(O)C(=O)C2=C([C@@H](CC3C(C)(C)CCC[C@@]32CO)OC(=O)C)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B08 compound treatment -0.023 -0.034626 -0.1805 -0.122 -0.14227 -0.7906 0.136 0.11362 0.6425 -0.1897 -0.1833 3614787 ACon1_001310 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(=O)C)[C@@H]1CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B09 compound treatment 0.055 0.043374 0.2261 -0.108 -0.12827 -0.7128 -0.007 -0.02938 -0.1661 -0.3769 -0.4921 3614791 ACon1_001311 CCC(C)CCC(O)C1=C(C)C(O)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B10 compound treatment -0.244 -0.25563 -1.3324 0.204 0.18373 1.021 0.103 0.08062 0.4559 0.0835 0.048 3554503 ACon1_001312 CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B11 compound treatment 0.057 0.045374 0.2365 0.359 0.33873 1.8824 0.157 0.13462 0.7613 1.6629 0.8134 3614794 ACon1_001313 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B12 compound treatment -0.14 -0.15163 -0.7903 -0.175 -0.19527 -1.0851 -0.078 -0.10038 -0.5677 -1.4105 -0.9678 3614796 ACon1_001314 COc1c(C)c(OC/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(O)CO)cc(CO)c1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B13 mock treatment 0.041 0.029374 0.1531 0.0 -0.02027 -0.1126 -0.018 -0.04038 -0.2284 -0.1085 -0.3651 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B14 mock treatment 0.081 0.069374 0.3616 -0.028 -0.04827 -0.2682 -0.046 -0.06838 -0.3867 -0.1694 -0.2854 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B15 compound treatment -0.013 -0.024626 -0.1284 0.167 0.14673 0.8154 0.027 0.0046202 0.0261 0.4118 0.4986 3614799 ACon1_001315 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B16 compound treatment 0.366 0.35437 1.8471 0.364 0.34373 1.9102 0.121 0.09862 0.5577 2.4912 0.9176 3614803 ACon1_001316 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](O)C32)[C@@H]61 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B17 compound treatment 0.006 -0.0056255 -0.0293 0.145 0.12473 0.6931 0.168 0.14562 0.8235 0.8587 0.7975 3614807 ACon1_001317 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B18 compound treatment -0.125 -0.13663 -0.7121 -0.039 -0.05927 -0.3294 0.164 0.14162 0.8009 -0.1389 -0.1239 3614809 ACon1_001318 COc1ccc2nccc(C(O)C3CC4CC[N+]3([O-])CC4C=C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B19 compound treatment -0.071 -0.082626 -0.4307 0.052 0.03173 0.1763 0.273 0.25062 1.4173 0.6714 0.4501 3614812 ACon1_001319 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(CCC6(CCC54C)C(=O)OC7OC(CO)C(O)C(O)C7O)C(=O)O)C2(C)CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B20 compound treatment 0.224 0.21237 1.1069 -0.084 -0.10427 -0.5794 0.046 0.02362 0.1336 0.3817 0.3037 3614813 ACon1_001320 CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)CC32)[C@H]16 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B21 compound treatment 0.35 0.33837 1.7637 0.31 0.28973 1.6101 0.093 0.07062 0.3994 2.1784 0.8997 3558920 ACon1_001321 Oc1cc(cc(O)c1O)C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@H]3[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]2OC(=O)c7cc(O)c(O)c(O)c7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B22 compound treatment -0.117 -0.12863 -0.6704 0.0 -0.02027 -0.1126 0.013 -0.0093798 -0.053 -0.4827 -0.7079 1099690 ACon1_001322 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5ccc(OC)cc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B23 compound treatment 0.019 0.0073745 0.0384 0.474 0.45373 2.5215 0.115 0.09262 0.5238 1.7804 0.6912 3614819 ACon1_001323 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8OC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 B24 compound treatment 0.081 0.069374 0.3616 0.053 0.03273 0.1819 -0.104 -0.12638 -0.7147 -0.0989 -0.1204 3614822 ACon1_001324 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C01 compound treatment -0.188 -0.19963 -1.0405 -0.034 -0.05427 -0.3016 0.171 0.14862 0.8405 -0.2896 -0.2112 3180147 ACon1_001325 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C02 compound treatment -0.101 -0.11263 -0.587 0.1 0.07973 0.4431 -0.054 -0.07638 -0.4319 -0.3325 -0.3898 3558915 ACon1_001326 Oc1ccc(cc1)C2Oc3cc(O)cc(O)c3C(=O)C2C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C03 compound treatment -0.101 -0.11263 -0.587 -0.076 -0.09627 -0.535 -0.014 -0.03638 -0.2057 -0.7666 -0.9343 3559041 ACon1_001327 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C04 compound treatment -0.083 -0.094626 -0.4932 -0.024 -0.04427 -0.246 0.063 0.04062 0.2297 -0.2942 -0.4926 3559084 ACon1_001328 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c(C(=O)c3ccc(O)cc3)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C05 compound treatment 0.141 0.12937 0.6743 0.218 0.19773 1.0988 0.0 -0.02238 -0.1266 0.9507 0.7339 3554661 ACon1_001329 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C06 compound treatment -0.024 -0.035626 -0.1857 0.0 -0.02027 -0.1126 -0.134 -0.15638 -0.8844 -0.6828 -0.7498 3558716 ACon1_001330 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C07 compound treatment 0.302 0.29037 1.5135 0.129 0.10873 0.6042 0.175 0.15262 0.8631 1.721 0.9332 3552084 ACon1_001331 C/C=C/C=C/C(=O)N1CC[C@]23[C@@H]1N4CC[C@]3([C@H]5Nc6ccccc62)c7c(cccc7[C@@H]4C8OC8(C)C)N5C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C08 compound treatment -0.402 -0.41363 -2.1559 -0.072 -0.09227 -0.5128 -0.006 -0.02838 -0.1605 -1.6334 -0.7352 3559229 ACon1_001332 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C09 compound treatment 0.062 0.050374 0.2626 -0.123 -0.14327 -0.7962 -0.079 -0.10138 -0.5733 -0.6391 -0.6292 3559102 ACon1_001333 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C3(C)C)O[C@@H]([C@H]2O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C10 compound treatment 0.07 0.058374 0.3043 0.333 0.31273 1.7379 0.158 0.13562 0.767 1.6218 0.843 3559180 ACon1_001334 C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=CC7=C8CC(C)(C)CC[C@]8(CO)CC[C@]76C)[C@]4(C)CO)O[C@@H]3CO)[C@@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C11 mock treatment -0.159 -0.17063 -0.8893 -0.106 -0.12627 -0.7017 -0.143 -0.16538 -0.9353 -1.4586 -0.9929 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C12 mock treatment 0.034 0.022374 0.1166 -0.037 -0.05727 -0.3183 0.031 0.0086202 0.0487 -0.0883 -0.2578 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C13 compound treatment 0.123 0.11137 0.5805 0.128 0.10773 0.5987 0.119 0.09662 0.5464 0.9963 0.9993 3558601 ACon1_001335 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C14 compound treatment -0.025 -0.036626 -0.1909 0.028 0.00773 0.043 0.013 -0.0093798 -0.053 -0.116 -0.5724 3557383 ACon1_001336 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](OC(=O)/C(=C/C)/CO)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C15 mock treatment -0.018 -0.029626 -0.1544 -0.012 -0.03227 -0.1793 0.085 0.06262 0.3541 0.0118 0.0276 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C16 mock treatment 0.006 -0.0056255 -0.0293 -0.048 -0.06827 -0.3794 0.012 -0.01038 -0.0587 -0.2699 -0.7009 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C17 compound treatment 0.19 0.17837 0.9297 0.093 0.07273 0.4042 0.013 -0.0093798 -0.053 0.7395 0.7285 3555977 ACon1_001337 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C18 compound treatment -0.06 -0.071626 -0.3733 0.0 -0.02027 -0.1126 0.193 0.17062 0.9649 0.2765 0.2657 3559187 ACon1_001338 CC(C)C[C@@](O)(CC(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C19 compound treatment 0.039 0.027374 0.1427 0.018 -0.00227 -0.0126 -0.02 -0.04238 -0.2397 -0.0633 -0.2266 3614831 ACon1_001339 C[C@H]1O[C@@H](OC/2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C20 compound treatment -0.625 -0.63663 -3.3182 -0.068 -0.08827 -0.4905 0.075 0.05262 0.2976 -2.0272 -0.602 3559183 ACon1_001340 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C21 compound treatment 0.022 0.010374 0.0541 0.065 0.04473 0.2486 0.191 0.16862 0.9536 0.7253 0.7349 3558289 ACon1_001341 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%101CCC(C)CO%10 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C22 compound treatment 0.124 0.11237 0.5857 0.191 0.17073 0.9488 0.105 0.08262 0.4672 1.1557 0.956 3559203 ACon1_001342 C[C@H]1[C@@H]2CC[C@]3(C)O[C@]4(C)C(O)[C@@H]5[C@H]6[C@H](C(=C7[C@@H]6C[C@@](C)(O)C[C@H]8[C@H](C)C(=O)O[C@@H]87)C)C4(C53)[C@H]2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C23 compound treatment 0.443 0.43137 2.2484 0.602 0.58173 3.2328 0.361 0.33862 1.915 4.2702 0.9752 3554240 ACon1_001343 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 C24 compound treatment -0.064 -0.075626 -0.3942 0.024 0.00373 0.0207 0.072 0.04962 0.2806 -0.0536 -0.1107 3555026 ACon1_001344 COc1cc2[C@@H]3CCN4CC=C[C@]56CC[C@H]3[C@]64N(C(=O)C5)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D01 compound treatment -0.084 -0.095626 -0.4984 0.02 -2.7002E-4 -0.0015 0.04 0.01762 0.0996 -0.2311 -0.4547 3553596 ACon1_001345 CC(C)C1NC(=O)/C(=C/c2c[nH]cn2)/NC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D02 compound treatment 0.02 0.0083745 0.0436 0.006 -0.01427 -0.0793 0.06 0.03762 0.2127 0.1022 0.4422 3614835 ACon1_001346 OCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D03 compound treatment 0.114 0.10237 0.5336 0.142 0.12173 0.6765 0.05 0.02762 0.1562 0.7888 0.9008 3559559 ACon1_001347 C[C@@H]1C2[C@@H](CC(C)C(=O)C/C=C(\C)/C[C@@H]2O)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D04 compound treatment 0.077 0.065374 0.3407 0.029 0.00873 0.0485 0.307 0.28462 1.6096 1.154 0.7011 3614837 ACon1_001348 C[C@H]1C2[C@H](CC3C4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]8OC(=O)C)[C@]5(C)C4CC[C@]23C)O[C@]91OCC(=C)[C@H](OC%10OC(C)C(O)C(O)C%10O)[C@@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D05 compound treatment 0.097 0.085374 0.445 0.136 0.11573 0.6431 0.276 0.25362 1.4343 1.4563 0.8914 3614840 ACon1_001349 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D06 compound treatment 0.079 0.067374 0.3512 -0.047 -0.06727 -0.3738 -0.124 -0.14638 -0.8278 -0.491 -0.5042 3614842 ACon1_001350 COc1cc(OC)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(OC)c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D07 compound treatment 0.053 0.041374 0.2157 0.019 -0.00127 -0.0071 0.171 0.14862 0.8405 0.6057 0.698 1054271 ACon1_001351 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D08 compound treatment -0.111 -0.12263 -0.6392 -0.164 -0.18427 -1.024 0.012 -0.01038 -0.0587 -0.9941 -0.8226 3614846 ACon1_001352 CC/C=C/c1ccc(C)cc1\C=C\CCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D09 compound treatment -0.038 -0.049626 -0.2587 0.036 0.01573 0.0874 0.055 0.03262 0.1845 0.0076 0.0232 3614849 ACon1_001353 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D10 compound treatment 0.023 0.011374 0.0593 0.289 0.26873 1.4934 0.114 0.09162 0.5181 1.1956 0.7558 3614853 ACon1_001354 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D11 mock treatment 0.035 0.023374 0.1218 0.018 -0.00227 -0.0126 0.151 0.12862 0.7274 0.483 0.6548 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D12 mock treatment 0.146 0.13437 0.7004 0.018 -0.00227 -0.0126 0.185 0.16262 0.9196 0.928 0.8028 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D13 compound treatment -0.065 -0.076626 -0.3994 -0.082 -0.10227 -0.5683 -0.166 -0.18838 -1.0653 -1.1738 -0.9229 3614858 ACon1_001355 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C2C(C(C2c3ccc(O)c(O)c3)c4ccc(O)c(O)c4)C(=O)OC(Cc5ccc(O)c(O)c5)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D14 compound treatment 0.039 0.027374 0.1427 0.165 0.14473 0.8043 0.079 0.05662 0.3202 0.7316 0.8339 3614860 ACon1_001356 OC/C=C\1/CN2CC[C@]34[C@@H]2C[C@@H]1[C@@H]5[C@@H]4N(C(=O)CC5O)c6ccccc63 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D15 mock treatment 0.032 0.020374 0.1062 0.083 0.06273 0.3486 0.006 -0.01638 -0.0926 0.2091 0.5561 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D16 mock treatment 0.039 0.027374 0.1427 0.04 0.01973 0.1096 -0.058 -0.08038 -0.4546 -0.1168 -0.2388 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D17 compound treatment -0.144 -0.15563 -0.8112 0.043 0.02273 0.1263 0.219 0.19662 1.1119 0.2466 0.1784 3614863 ACon1_001357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D18 compound treatment -0.159 -0.17063 -0.8893 0.104 0.08373 0.4653 0.05 0.02762 0.1562 -0.1546 -0.1522 1099692 ACon1_001358 CCC1C2N3CCC24C(=C(C1CC3)C(=O)OC)Nc5ccccc54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D19 compound treatment -0.019 -0.030626 -0.1596 0.039 0.01873 0.1041 -0.237 -0.25938 -1.4668 -0.8789 -0.5942 3614868 ACon1_001359 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C1=CC(=O)C(C)CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D20 compound treatment -0.057 -0.068626 -0.3577 -0.213 -0.23327 -1.2963 -0.006 -0.02838 -0.1605 -1.0476 -0.7735 3614872 ACon1_001360 CCC1CC2CC3(C1N(CCc4c3[nH]c5ccc(OC)cc45)C2=O)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D21 compound treatment -0.094 -0.10563 -0.5505 0.006 -0.01427 -0.0793 -0.128 -0.15038 -0.8504 -0.8546 -0.841 3614874 ACon1_001361 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D22 compound treatment 0.184 0.17237 0.8985 0.045 0.02473 0.1374 0.16 0.13762 0.7783 1.0474 0.8753 3614877 ACon1_001362 CC(C)C(NC=O)C(=O)N1CCC2Oc3ccc(/C=C\NC(=O)C(Cc4ccccc4)NC(=O)C21)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D23 compound treatment -0.046 -0.057626 -0.3004 0.094 0.07373 0.4097 -0.027 -0.04938 -0.2793 -0.0981 -0.1692 3614881 ACon1_001363 CO[C@H]1[C@H](O)[C@@H](O)[C@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)O[C@@H]1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 D24 compound treatment 0.036 0.024374 0.127 0.025 0.00473 0.0263 0.067 0.04462 0.2523 0.2342 0.8255 3614885 ACon1_001364 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)[N+]4([O-])C\C5=C\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E01 mock treatment -0.033 -0.044626 -0.2326 0.056 0.03573 0.1986 0.033 0.01062 0.0601 0.015 0.0482 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E02 mock treatment -0.095 -0.10663 -0.5558 0.094 0.07373 0.4097 -0.134 -0.15638 -0.8844 -0.5949 -0.5302 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E03 compound treatment 0.146 0.13437 0.7004 -0.076 -0.09627 -0.535 0.071 0.04862 0.275 0.2542 0.2754 3559005 ACon1_001365 CC1OC(O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(C=O)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](OC%11OC(CO)C(O)C(O)C%11O)[C@H]2O)C(O)C(O)C1OC%12OCC(O)C(O)C%12O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E04 compound treatment -0.019 -0.030626 -0.1596 -0.121 -0.14127 -0.7851 0.048 0.02562 0.1449 -0.4618 -0.5672 3472823 ACon1_001366 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E05 compound treatment 0.131 0.11937 0.6222 0.079 0.05873 0.3264 -0.018 -0.04038 -0.2284 0.4158 0.5628 3554702 ACon1_001367 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E06 compound treatment -0.107 -0.11863 -0.6183 0.018 -0.00227 -0.0126 0.046 0.02362 0.1336 -0.2871 -0.4538 3559119 ACon1_001368 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E07 compound treatment -0.009 -0.020626 -0.1075 0.033 0.01273 0.0707 0.045 0.02262 0.1279 0.0526 0.29 3558966 ACon1_001369 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E08 compound treatment 0.0 -0.011626 -0.0606 -0.137 -0.15727 -0.874 0.05 0.02762 0.1562 -0.4494 -0.505 3559152 ACon1_001370 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)c4ccccc4)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E09 mock treatment 0.202 0.19037 0.9923 0.422 0.40173 2.2325 0.22 0.19762 1.1176 2.507 0.9332 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E10 mock treatment 0.142 0.13037 0.6795 0.0 -0.02027 -0.1126 0.089 0.06662 0.3767 0.5448 0.6939 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E11 compound treatment 0.053 0.041374 0.2157 0.073 0.05273 0.293 -0.055 -0.07738 -0.4376 0.041 0.0721 3554750 ACon1_001371 COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E12 compound treatment 0.033 0.021374 0.1114 -0.014 -0.03427 -0.1904 0.034 0.01162 0.0657 -0.0077 -0.0334 3558916 ACon1_001372 CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E13 compound treatment -0.076 -0.087626 -0.4567 -0.061 -0.08127 -0.4516 0.138 0.11562 0.6539 -0.1469 -0.1603 3555404 ACon1_001373 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5c[nH]cn5)/C(=O)N[C@]143)C(C)(C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E14 compound treatment 0.021 0.0093745 0.0489 -0.082 -0.10227 -0.5683 -0.034 -0.05638 -0.3188 -0.484 -0.7406 3558010 ACon1_001374 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO)C(O)C(O)C4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E15 compound treatment 0.352 0.34037 1.7741 -0.025 -0.04527 -0.2516 0.027 0.0046202 0.0261 0.8941 0.4989 3554188 ACon1_001375 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E16 compound treatment -0.038 -0.049626 -0.2587 0.058 0.03773 0.2097 -0.043 -0.06538 -0.3697 -0.2417 -0.4859 3557363 ACon1_001376 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E17 mock treatment -0.069 -0.080626 -0.4202 0.03 0.00973 0.0541 0.152 0.12962 0.733 0.2118 0.2502 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E18 mock treatment -0.044 -0.055626 -0.2899 -0.061 -0.08127 -0.4516 0.06 0.03762 0.2127 -0.3053 -0.5288 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E19 compound treatment 0.104 0.092374 0.4815 -0.062 -0.08227 -0.4572 0.039 0.01662 0.094 0.0683 0.1018 1001646 ACon1_001377 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E20 compound treatment 0.101 0.089374 0.4658 0.065 0.04473 0.2486 -0.025 -0.04738 -0.2679 0.2578 0.4353 3557369 ACon1_001378 CC1(C[C@@H](O)[C@H]2C3[C@H]1O)C2(C)CCC[C@]3(C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E21 compound treatment -0.03 -0.041626 -0.217 0.174 0.15373 0.8543 0.019 -0.0033798 -0.0191 0.3569 0.4049 3553566 ACon1_001379 CC(C)c1cc2CCC3C(C)(COC(=O)C)C[C@H](O)C[C@]3(C)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E22 compound treatment 0.13 0.11837 0.617 0.152 0.13173 0.732 0.178 0.15562 0.8801 1.287 0.9897 3558597 ACon1_001380 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E23 compound treatment 0.097 0.085374 0.445 0.136 0.11573 0.6431 0.013 -0.0093798 -0.053 0.5976 0.7624 3553861 ACon1_001381 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 E24 compound treatment 0.288 0.27637 1.4405 0.169 0.14873 0.8265 0.196 0.17362 0.9819 1.8758 0.9722 3557439 ACon1_001382 OC(=O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F01 mock treatment 0.076 0.064374 0.3355 -0.061 -0.08127 -0.4516 -0.038 -0.06038 -0.3415 -0.2642 -0.4014 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F02 mock treatment 0.062 0.050374 0.2626 0.0 -0.02027 -0.1126 0.02 -0.0023798 -0.0135 0.0788 0.2755 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F03 compound treatment 0.067 0.055374 0.2886 -0.05 -0.07027 -0.3905 -0.014 -0.03638 -0.2057 -0.1776 -0.3368 3559574 ACon1_001383 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F04 compound treatment 0.116 0.10437 0.544 -0.05 -0.07027 -0.3905 0.018 -0.0043798 -0.0248 0.0743 0.1109 3614899 ACon1_001384 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F05 compound treatment 0.036 0.024374 0.127 0.093 0.07273 0.4042 0.238 0.21562 1.2194 1.0107 0.783 3614903 ACon1_001385 C/C=C(\C)/C(=O)OC1C(OC(=O)\C=C(\C)/CC(=O)O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CCC43C)C2CC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F06 compound treatment -0.006 -0.017626 -0.0919 0.375 0.35473 1.9713 0.282 0.25962 1.4682 1.9328 0.7858 2119735 ACon1_001386 C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F07 compound treatment 0.012 3.7448E-4 0.002 0.093 0.07273 0.4042 0.144 0.12162 0.6878 0.6316 0.7917 3614907 ACon1_001387 CCCCCCCC(O)/C=C\C(O)CCC(O)CCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F08 compound treatment 0.055 0.043374 0.2261 -0.075 -0.09527 -0.5294 0.151 0.12862 0.7274 0.2448 0.2639 3614911 ACon1_001388 COc1cc(ccc1O)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)c5ccc(O)c(OC)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F09 mock treatment 0.364 0.35237 1.8367 0.333 0.31273 1.7379 0.113 0.09062 0.5125 2.3596 0.9146 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F10 mock treatment 0.05 0.038374 0.2 0.036 0.01573 0.0874 0.0 -0.02238 -0.1266 0.0929 0.3681 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F11 compound treatment 0.119 0.10737 0.5597 0.288 0.26773 1.4878 0.136 0.11362 0.6425 1.5531 0.9058 3614913 ACon1_001389 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F12 compound treatment -0.073 -0.084626 -0.4411 -0.019 -0.03927 -0.2182 0.055 0.03262 0.1845 -0.2742 -0.5216 3614916 ACon1_001390 COC(=O)C[C@H]1/C(=C/C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F13 compound treatment -0.007 -0.018626 -0.0971 0.014 -0.00627 -0.0348 0.019 -0.0033798 -0.0191 -0.0872 -0.8313 3614920 ACon1_001391 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F14 compound treatment 0.146 0.13437 0.7004 0.013 -0.00727 -0.0404 0.168 0.14562 0.8235 0.8565 0.7917 3614922 ACon1_001392 OC/C=C\1/CN2CCC3(C2CC1C4=CCC(=O)N5C43)c6ccccc56 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F15 compound treatment 0.065 0.053374 0.2782 -0.049 -0.06927 -0.3849 0.153 0.13062 0.7387 0.3648 0.4155 3614924 ACon1_001393 CC(C)CCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F16 compound treatment -0.061 -0.072626 -0.3785 -0.056 -0.07627 -0.4238 0.054 0.03162 0.1788 -0.36 -0.6043 1244529 ACon1_001394 CN1CCc2cc3OCOc3c4-c5ccccc5CC1c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F17 mock treatment -0.046 -0.057626 -0.3004 0.018 -0.00227 -0.0126 0.054 0.03162 0.1788 -0.0775 -0.2214 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F18 mock treatment 0.105 0.093374 0.4867 0.075 0.05473 0.3041 0.048 0.02562 0.1449 0.5402 0.9127 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F19 compound treatment -0.043 -0.054626 -0.2847 -0.094 -0.11427 -0.635 0.038 0.01562 0.0883 -0.48 -0.6843 3614927 ACon1_001395 COc1cc-2c(C[C@H]3COC(=O)[C@@H]3Cc4c(OC)c(OC)c(OC)cc42)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F20 compound treatment 0.101 0.089374 0.4658 0.061 0.04073 0.2263 0.045 0.02262 0.1279 0.4735 0.8875 3614931 ACon1_001396 CC(=O)N1CCC(CCC(=O)c2ccnc3ccccc23)C(C1)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F21 compound treatment 0.253 0.24137 1.2581 0.045 0.02473 0.1374 0.026 0.0036202 0.0205 0.8175 0.6459 3614932 ACon1_001397 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C[C@@H]4C(=CC[C@H]5[C@]6(C)C[C@@H](O)[C@H]([C@@](C)(OC(=O)C)C(=O)/C=C/C(C)(C)O)[C@@]6(C)CC(=O)[C@]54C)C(C)(C)C3=O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F22 compound treatment 0.161 0.14937 0.7786 0.019 -0.00127 -0.0071 -0.097 -0.11938 -0.6751 0.0557 0.054 3614935 ACon1_001398 CCN1C[C@]2(COC)CC[C@H](O)[C@]3(C4C[C@H]5[C@@H](OC(=O)C)C4[C@@](C[C@@H]5OC)(OC(=O)C)C6[C@H](OC)C32)[C@@H]61 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F23 compound treatment 0.0 -0.011626 -0.0606 0.395 0.37473 2.0824 0.46 0.43762 2.4748 2.5961 0.8025 3554229 ACon1_001399 CCCc1c(C(=O)O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 F24 compound treatment -0.112 -0.12363 -0.6444 0.0 -0.02027 -0.1126 -0.029 -0.05138 -0.2906 -0.6048 -0.845 3614940 ACon1_001400 CN1CCc2cc3OCOc3cc2C4OC(O)c5c6OCOc6ccc5C41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G01 compound treatment -0.025 -0.036626 -0.1909 0.196 0.17573 0.9766 0.026 0.0036202 0.0205 0.4654 0.4676 3554156 ACon1_001401 CCC(C)C1NC(=O)C(CCC(=O)O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(OC(=O)C(CCC(=O)O)N(C)C(=O)C(NC(=O)C4CCCCN4C1=O)C(C)C)C(C)CC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G02 compound treatment -0.143 -0.15463 -0.8059 -0.045 -0.06527 -0.3627 0.2 0.17762 1.0045 -0.0948 -0.0708 3558958 ACon1_001402 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G03 mock treatment 0.062 0.050374 0.2626 -0.012 -0.03227 -0.1793 2.265 2.2426 7.9461 4.6357 0.5829 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G04 mock treatment -0.018 -0.029626 -0.1544 0.06 0.03973 0.2208 -0.097 -0.11938 -0.6751 -0.3515 -0.4835 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G05 compound treatment 0.065 0.053374 0.2782 0.082 0.06173 0.343 -0.012 -0.03438 -0.1944 0.2464 0.5106 3557320 ACon1_001403 CN/1C(=O)c2ccccc2NC(=O)\C1=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G06 compound treatment 0.137 0.12537 0.6535 0.058 0.03773 0.2097 0.161 0.13862 0.7839 0.9509 0.9127 3559121 ACon1_001404 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G07 compound treatment 0.123 0.11137 0.5805 -0.165 -0.18527 -1.0296 0.038 0.01562 0.0883 -0.2083 -0.1757 3559035 ACon1_001405 OC[C@@]12O[C@H]2[C@@H](O)[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G08 compound treatment -0.342 -0.35363 -1.8432 0.076 0.05573 0.3097 0.57 0.54762 3.0969 0.9026 0.2495 3559216 ACon1_001406 CC(=CCC/C(=C/Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G09 compound treatment -0.023 -0.034626 -0.1805 -0.023 -0.04327 -0.2405 -0.031 -0.05338 -0.3019 -0.4173 -0.9795 3559155 ACon1_001407 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)C[C@@H](O)[C@@]31O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G10 compound treatment 0.239 0.22737 1.1851 0.153 0.13273 0.7376 0.229 0.20662 1.1685 1.7847 0.9804 1089114 ACon1_001408 COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G11 compound treatment -0.321 -0.33263 -1.7337 -0.206 -0.22627 -1.2574 -0.222 -0.24438 -1.382 -2.5248 -0.9906 3553711 ACon1_001409 CC(CCCc1ccoc1)C2CC=C(CCC=C(C)C)C(=O)O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G12 compound treatment 0.049 0.037374 0.1948 0.091 0.07073 0.3931 0.036 0.01362 0.077 0.3839 0.8619 3557253 ACon1_001410 CC(=CCC/C(=C/CC[C@]1(C)Oc2c3CNC(=O)c3cc(O)c2C[C@@H]1O)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G13 compound treatment -0.007 -0.018626 -0.0971 0.014 -0.00627 -0.0348 0.019 -0.0033798 -0.0191 -0.0872 -0.8313 3554972 ACon1_001411 COc1cc(O)c(CCO)c2O[C@H](C)CC(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G14 compound treatment 0.067 0.055374 0.2886 0.006 -0.01427 -0.0793 0.06 0.03762 0.2127 0.2437 0.6636 3557300 ACon1_001412 CC(O)CC1CCC(O1)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G15 compound treatment -0.048 -0.059626 -0.3108 -0.033 -0.05327 -0.296 0.151 0.12862 0.7274 0.0696 0.0824 3553811 ACon1_001413 CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G16 compound treatment 0.066 0.054374 0.2834 -0.012 -0.03227 -0.1793 0.101 0.07862 0.4446 0.3168 0.5688 3558027 ACon1_001414 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G17 compound treatment -0.023 -0.034626 -0.1805 0.018 -0.00227 -0.0126 0.052 0.02962 0.1675 -0.0148 -0.0599 3553505 ACon1_001415 CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G18 compound treatment 0.083 0.071374 0.372 0.07 0.04973 0.2764 0.168 0.14562 0.8235 0.8498 0.8993 3557922 ACon1_001416 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G19 mock treatment 0.03 0.018374 0.0958 -0.242 -0.26227 -1.4575 -0.102 -0.12438 -0.7034 -1.1923 -0.7354 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G20 mock treatment 0.038 0.026374 0.1375 0.006 -0.01427 -0.0793 0.102 0.07962 0.4503 0.2935 0.6149 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G21 compound treatment 0.122 0.11037 0.5753 -0.051 -0.07127 -0.3961 0.036 0.01362 0.077 0.148 0.2106 3552815 ACon1_001417 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2[C@@]34COC(=O)c5ccccc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G22 compound treatment -0.013 -0.024626 -0.1284 -0.154 -0.17427 -0.9684 0.143 0.12062 0.6821 -0.2394 -0.2009 1109010 ACon1_001418 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5cc(OC)c(OC)c(OC)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G23 compound treatment 0.111 0.099374 0.518 0.041 0.02073 0.1152 0.052 0.02962 0.1675 0.4623 0.8308 3557629 ACon1_001419 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(O)C(O)C4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 G24 compound treatment 0.1 0.088374 0.4606 0.012 -0.00827 -0.046 -0.076 -0.09838 -0.5564 -0.0818 -0.113 3553937 ACon1_001420 CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H01 compound treatment -0.084 -0.095626 -0.4984 0.0 -0.02027 -0.1126 -0.007 -0.02938 -0.1661 -0.4487 -0.8351 3555028 ACon1_001421 COc1cc2C(O)CCC(=O)c2c(O)c1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H02 compound treatment 0.026 0.014374 0.0749 0.166 0.14573 0.8098 -0.064 -0.08638 -0.4885 0.2288 0.2412 3614951 ACon1_001422 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H03 mock treatment -0.09 -0.10163 -0.5297 0.043 0.02273 0.1263 -0.028 -0.05038 -0.2849 -0.3974 -0.6466 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H04 mock treatment -0.04 -0.051626 -0.2691 0.006 -0.01427 -0.0793 -0.117 -0.13938 -0.7882 -0.6562 -0.7843 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H05 compound treatment 0.199 0.18737 0.9766 0.28 0.25973 1.4434 0.432 0.40962 2.3165 2.7346 0.9434 1074963 ACon1_001423 Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(=C7C(=O)c8c(O)cc(C)cc8C(=O)C647)O)C53C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H06 compound treatment 0.319 0.30737 1.6021 0.135 0.11473 0.6376 0.231 0.20862 1.1798 1.9742 0.9449 3614955 ACon1_001424 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC3OC(CO)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H07 compound treatment 0.233 0.22137 1.1539 0.045 0.02473 0.1374 0.261 0.23862 1.3494 1.5246 0.8561 3614956 ACon1_001425 C[C@H]1OC(=O)[C@@]2(C(=C)[C@]3(C)C[C@@H]4C(=C)[C@]5(CC[C@]42C)C=CC(=O)OC5(C)C)[C@@]1(O)C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H08 compound treatment -0.094 -0.10563 -0.5505 -0.084 -0.10427 -0.5794 0.118 0.09562 0.5408 -0.3402 -0.3525 3614960 ACon1_001426 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H09 compound treatment -0.072 -0.083626 -0.4359 -0.115 -0.13527 -0.7517 0.068 0.04562 0.258 -0.5367 -0.5921 3614965 ACon1_001427 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O[C@@H]%11OC[C@H](O)[C@H](O)[C@H]%11O)[C@H]%10O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H10 compound treatment -0.006 -0.017626 -0.0919 0.161 0.14073 0.7821 0.013 -0.0093798 -0.053 0.3679 0.4661 3614969 ACon1_001428 C[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H11 compound treatment 0.101 0.089374 0.4658 0.086 0.06573 0.3653 0.045 0.02262 0.1279 0.5537 0.9142 3614972 ACon1_001429 COc1cc(ccc1O)C2OC(c3ccc(O)c(OC)c3)C(C)(O)C2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H12 compound treatment 0.19 0.17837 0.9297 -0.018 -0.03827 -0.2127 0.0 -0.02238 -0.1266 0.3409 0.3544 3614974 ACon1_001430 C[C@@H]1CCC2C(C)(C)[C@H](OC(=O)C)[C@@H](O)C[C@]2(C)C31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H13 compound treatment -0.04 -0.051626 -0.2691 -0.006 -0.02627 -0.146 0.006 -0.01638 -0.0926 -0.2931 -0.9165 3559258 ACon1_001431 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1OC%11OCC(O)(CO)C%11O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H14 compound treatment 0.019 0.0073745 0.0384 0.294 0.27373 1.5212 0.006 -0.01638 -0.0926 0.847 0.5556 3614977 ACon1_001432 COc1cc2N3C4C5C(CC3=O)OCC=C6CN(C)CCC4(C(=O)CC56)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H15 compound treatment 0.023 0.011374 0.0593 0.0 -0.02027 -0.1126 0.023 6.2023E-4 0.0035 -0.0288 -0.226 3614978 ACon1_001433 CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H16 compound treatment 0.378 0.36637 1.9096 0.103 0.08273 0.4597 -0.06 -0.08238 -0.4659 1.099 0.5444 3614980 ACon1_001434 OC(C1CC2CC[N+]1([O-])CC2C=C)c3ccnc4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H17 compound treatment -0.012 -0.023626 -0.1231 0.195 0.17473 0.971 0.233 0.21062 1.1911 1.1772 0.7636 3614982 ACon1_001435 CC1OC(OC2C(O)C(OC3OC(C)C(OC(=O)C)C(O)C3O)C(CO)OC2OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](OC9OC(CO)C(OC%10OC(CO)C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(O)C9O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H18 compound treatment 0.175 0.16337 0.8515 0.021 7.2998E-4 0.0041 0.213 0.19062 1.078 1.1164 0.8126 3614986 ACon1_001436 C=CC1CN(CCC1CCC(=O)c2ccnc3ccccc23)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H19 mock treatment 0.076 0.064374 0.3355 -0.013 -0.03327 -0.1849 0.046 0.02362 0.1336 0.1641 0.4045 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H20 mock treatment -0.037 -0.048626 -0.2534 -0.107 -0.12727 -0.7073 -0.095 -0.11738 -0.6638 -0.9379 -0.9355 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H21 compound treatment 0.019 0.0073745 0.0384 0.043 0.02273 0.1263 0.06 0.03762 0.2127 0.218 0.8704 3614988 ACon1_001437 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C3=O)c5ccc(O)c(O)c45)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H22 compound treatment 0.708 0.69637 3.6297 0.621 0.60073 3.3384 0.574 0.55162 3.1195 5.824 0.9981 3614991 ACon1_001438 C=Cc1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H23 compound treatment 0.017 0.0053745 0.028 0.233 0.21273 1.1822 -0.051 -0.07338 -0.415 0.4591 0.3664 3614994 ACon1_001439 CC1OC(O[C@H]2[C@@H](O)C[C@]3(C)C4CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]5(C)[C@]4(C)C[C@@H](O)C3[C@]2(C)CO)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 H24 compound treatment 0.052 0.040374 0.2104 -0.061 -0.08127 -0.4516 -0.144 -0.16638 -0.9409 -0.6825 -0.641 3614997 ACon1_001440 CN1Cc2cc3OCOc3cc2CCC(=O)c4cc5OCOc5cc4C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I01 compound treatment 0.158 0.14637 0.7629 -0.071 -0.09127 -0.5072 0.142 0.11962 0.6765 0.5382 0.4726 3552717 ACon1_001441 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I02 compound treatment 0.0 -0.011626 -0.0606 -0.026 -0.04627 -0.2571 0.0 -0.02238 -0.1266 -0.2565 -0.8757 3559086 ACon1_001442 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I03 compound treatment -0.096 -0.10763 -0.561 -0.025 -0.04527 -0.2516 0.134 0.11162 0.6312 -0.1047 -0.1188 3559083 ACon1_001443 OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I04 compound treatment -0.114 -0.12563 -0.6548 -0.025 -0.04527 -0.2516 -0.013 -0.03538 -0.2001 -0.6388 -0.8758 3559093 ACon1_001444 COc1cc(ccc1O)[C@@H]2[C@@H](CO)[C@](O)(CO)Cc3cc(OC)c(O)cc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I05 mock treatment -0.056 -0.067626 -0.3525 0.006 -0.01427 -0.0793 -0.144 -0.16638 -0.9409 -0.7925 -0.7863 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I06 mock treatment -0.084 -0.095626 -0.4984 -0.042 -0.06227 -0.346 -0.03 -0.05238 -0.2962 -0.6586 -0.9754 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I07 compound treatment -0.037 -0.048626 -0.2534 -0.019 -0.03927 -0.2182 -0.127 -0.14938 -0.8448 -0.7601 -0.8365 3558957 ACon1_001445 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I08 compound treatment -0.074 -0.085626 -0.4463 0.019 -0.00127 -0.0071 -0.069 -0.09138 -0.5168 -0.5601 -0.8202 3557372 ACon1_001446 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@]54OO[C@@]23C=C5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I09 compound treatment -0.022 -0.033626 -0.1753 0.129 0.10873 0.6042 0.125 0.10262 0.5803 0.5827 0.6808 3615002 ACon1_001447 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)O[C@@]%101CC[C@@](C)(CO[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)O%10 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I10 compound treatment 0.037 0.025374 0.1323 0.139 0.11873 0.6598 0.106 0.08362 0.4729 0.7303 0.888 3558208 ACon1_001448 COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@@H]3C4O[C@]4(CO)C5C3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H]2OC(=O)C)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I11 compound treatment 0.068 0.056374 0.2938 0.039 0.01873 0.1041 0.071 0.04862 0.275 0.3885 0.9346 3553143 ACon1_001449 C[C@H]1CC[C@H]2O[C@]23C(=O)c4occ(C)c4[C@@H](OC(=O)C)[C@]13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I12 compound treatment 0.119 0.10737 0.5597 0.137 0.11673 0.6487 0.032 0.0096202 0.0544 0.7291 0.8492 3557701 ACon1_001450 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I13 compound treatment 0.174 0.16237 0.8463 -0.062 -0.08227 -0.4572 0.054 0.03162 0.1788 0.3279 0.3352 3552066 ACon1_001451 C/C=C/C=C/C(=C/1\[C@@H]2[C@@H]([C@@H](C(=O)\C=C\C=C\C)[C@](C)(C1=O)C(=O)C2(C)O)[C@]3(C)OC(=O)C(=C3O)C)/O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I14 compound treatment -0.007 -0.018626 -0.0971 -0.106 -0.12627 -0.7017 -0.164 -0.18638 -1.054 -1.0697 -0.8423 3558037 ACon1_001452 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c3c(O)cccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I15 compound treatment 0.144 0.13237 0.69 0.013 -0.00727 -0.0404 -0.093 -0.11538 -0.6525 -0.0017 -0.0018 3555441 ACon1_001453 CSCC1OC(C(O)C1O)n2cnc3c(=O)[nH]cnc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I16 compound treatment -0.073 -0.084626 -0.4411 -0.056 -0.07627 -0.4238 -0.083 -0.10538 -0.5959 -0.8434 -0.9876 3557495 ACon1_001454 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I17 compound treatment -0.045 -0.056626 -0.2951 -0.16 -0.18027 -1.0018 0.006 -0.01638 -0.0926 -0.8023 -0.7652 3555348 ACon1_001455 COc1nc(C/C=C(\C)/C\C=C\C(=C\[C@@H](C)[C@@H](O)\C(=C\C)\C)\C)c(C)c(O)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I18 compound treatment -0.085 -0.096626 -0.5036 -0.012 -0.03227 -0.1793 0.037 0.01462 0.0827 -0.3466 -0.6407 3559191 ACon1_001456 CC(C)C[C@@](O)([C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I19 compound treatment 0.016 0.0043745 0.0228 -0.013 -0.03327 -0.1849 0.174 0.15162 0.8574 0.4015 0.4575 3555032 ACon1_001457 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I20 compound treatment -0.071 -0.082626 -0.4307 -0.195 -0.21527 -1.1963 -0.071 -0.09338 -0.5281 -1.2442 -0.9037 3559208 ACon1_001458 COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C(=O)O)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I21 mock treatment 0.148 0.13637 0.7108 0.099 0.07873 0.4375 0.133 0.11062 0.6256 1.0242 0.9819 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I22 mock treatment -0.025 -0.036626 -0.1909 -0.04 -0.06027 -0.3349 0.061 0.03862 0.2184 -0.1775 -0.4006 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I23 compound treatment 0.093 0.081374 0.4241 0.114 0.09373 0.5209 0.048 0.02562 0.1449 0.6293 0.9157 3552080 ACon1_001459 C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 I24 compound treatment 0.273 0.26137 1.3623 0.146 0.12573 0.6987 0.289 0.26662 1.5078 2.0605 0.9589 3557310 ACon1_001460 CC(O)Cc1cc2c(C)cc(O)cc2c(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J01 compound treatment -0.026 -0.037626 -0.1961 -0.054 -0.07427 -0.4127 0.013 -0.0093798 -0.053 -0.3821 -0.8307 3557337 ACon1_001461 C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J02 compound treatment -0.077 -0.088626 -0.4619 -0.212 -0.23227 -1.2908 -0.05 -0.07238 -0.4093 -1.2482 -0.8725 3553966 ACon1_001462 CC1CC(=O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J03 compound treatment 0.013 0.0013745 0.0072 -0.013 -0.03327 -0.1849 -0.036 -0.05838 -0.3301 -0.2932 -0.7748 3559779 ACon1_001463 C[C@H]1[C@@H](O)[C@H](O)C[C@]2(C)CC[C@H](C=C12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J04 compound treatment -0.049 -0.060626 -0.316 0.035 0.01473 0.0819 -0.035 -0.05738 -0.3245 -0.3225 -0.7007 3615013 ACon1_001464 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J05 mock treatment -0.102 -0.11363 -0.5922 0.09 0.06973 0.3875 -0.025 -0.04738 -0.2679 -0.2729 -0.3606 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J06 mock treatment 0.006 -0.0056255 -0.0293 -0.086 -0.10627 -0.5906 -0.079 -0.10138 -0.5733 -0.6889 -0.8364 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J07 compound treatment -0.006 -0.017626 -0.0919 -0.025 -0.04527 -0.2516 0.052 0.02962 0.1675 -0.1016 -0.3216 3615015 ACon1_001465 COC(=O)Cc1c(CCC(=O)O)oc2cc(C)cc(O)c2c1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J08 compound treatment -0.018 -0.029626 -0.1544 -0.129 -0.14927 -0.8295 0.09 0.06762 0.3824 -0.3473 -0.3749 1057044 ACon1_001466 COc1ccc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J09 compound treatment 0.23 0.21837 1.1382 0.096 0.07573 0.4208 -0.146 -0.16838 -0.9522 0.3504 0.2271 3615018 ACon1_001467 O[C@@H]1CO[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J10 compound treatment 0.051 0.039374 0.2052 0.058 0.03773 0.2097 0.139 0.11662 0.6595 0.6203 0.8594 3615022 ACon1_001468 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC4C3(C)C=CC(=O)OC4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J11 compound treatment -0.057 -0.068626 -0.3577 0.053 0.03273 0.1819 0.114 0.09162 0.5181 0.1976 0.3016 3615023 ACon1_001469 CC1CCC2C(C)(C)CCCC2(C)C1(O)/C=C/C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J12 compound treatment 0.082 0.070374 0.3668 0.129 0.10873 0.6042 -0.126 -0.14838 -0.8391 0.0762 0.0694 2060335 ACon1_001470 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J13 compound treatment 0.084 0.072374 0.3772 -0.031 -0.05127 -0.2849 0.039 0.01662 0.094 0.1076 0.2232 3615027 ACon1_001471 C[C@H]1[C@H]2OC3=C(C(=O)OC3(C)O)C(=O)[C@]1(C)[C@H]4CCCC[C@]4(O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J14 compound treatment 0.075 0.063374 0.3303 0.097 0.07673 0.4264 0.213 0.19062 1.078 1.0593 0.8788 3615031 ACon1_001472 C1Oc2cc3CCNC4Cc5ccccc5-c(c2O1)c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J15 compound treatment 0.096 0.084374 0.4398 0.256 0.23573 1.31 0.196 0.17362 0.9819 1.5771 0.9304 3557473 ACon1_001473 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J16 compound treatment -0.034 -0.045626 -0.2378 0.281 0.26073 1.4489 -0.012 -0.03438 -0.1944 0.587 0.3963 1093674 ACon1_001474 COc1ccc(Cc2nccc3cc(O)c(OC)cc23)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J17 compound treatment -0.131 -0.14263 -0.7434 -0.209 -0.22927 -1.2741 -0.224 -0.24638 -1.3933 -1.9692 -0.9705 3615035 ACon1_001475 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J18 compound treatment 0.036 0.024374 0.127 0.288 0.26773 1.4878 0.296 0.27362 1.5474 1.8257 0.849 1014127 ACon1_001476 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J19 compound treatment 0.031 0.019374 0.101 0.091 0.07073 0.3931 0.196 0.17362 0.9819 0.8521 0.802 3615039 ACon1_001477 COC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J20 compound treatment 0.03 0.018374 0.0958 -0.012 -0.03227 -0.1793 0.106 0.08362 0.4729 0.2248 0.4367 3615041 ACon1_001478 CCC1C2C34CC[N+]2([O-])CCC1C(=C4Nc5c3cccc5OC)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J21 mock treatment 0.025 0.013374 0.0697 0.131 0.11073 0.6153 0.101 0.07862 0.4446 0.6522 0.8555 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J22 mock treatment -0.038 -0.049626 -0.2587 0.152 0.13173 0.732 0.006 -0.01638 -0.0926 0.2198 0.2811 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J23 compound treatment 0.096 0.084374 0.4398 0.294 0.27373 1.5212 0.007 -0.01538 -0.087 1.0819 0.6822 3615043 ACon1_001479 CCCC(O)c1c(O)cccc1C/2(O)CC(=O)C\C2=C/C(O)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 J24 compound treatment 0.073 0.061374 0.3199 0.036 0.01573 0.0874 0.069 0.04662 0.2636 0.3874 0.9144 3615046 ACon1_001480 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K01 compound treatment -0.104 -0.11563 -0.6027 -0.007 -0.02727 -0.1515 0.044 0.02162 0.1223 -0.3649 -0.5761 3559758 ACon1_001481 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K02 compound treatment 0.075 0.063374 0.3303 -0.013 -0.03327 -0.1849 -0.047 -0.06938 -0.3924 -0.1426 -0.2615 3559087 ACon1_001482 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K03 compound treatment 0.061 0.049374 0.2574 -0.022 -0.04227 -0.2349 -0.019 -0.04138 -0.234 -0.1221 -0.291 3559128 ACon1_001483 C[N+](C)(C)C(Cc1ccccc1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K04 compound treatment 0.049 0.037374 0.1948 0.093 0.07273 0.4042 0.098 0.07562 0.4276 0.5927 0.9563 3558370 ACon1_001484 CC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K05 compound treatment 0.124 0.11237 0.5857 0.262 0.24173 1.3433 0.117 0.09462 0.5351 1.4227 0.9119 3559003 ACon1_001485 COc1ccc(CC2C(Cc3ccc4OCOc4c3)COC2=O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K06 compound treatment 0.473 0.46137 2.4048 0.14 0.11973 0.6654 0.273 0.25062 1.4173 2.5908 0.9029 3553192 ACon1_001486 CC(=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K07 mock treatment -0.14 -0.15163 -0.7903 -0.245 -0.26527 -1.4741 0.013 -0.0093798 -0.053 -1.338 -0.7995 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K08 mock treatment 0.005 -0.0066255 -0.0345 0.045 0.02473 0.1374 -0.006 -0.02838 -0.1605 -0.0333 -0.1553 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K09 compound treatment -0.024 -0.035626 -0.1857 -0.109 -0.12927 -0.7184 -0.045 -0.06738 -0.381 -0.742 -0.8895 3554961 ACon1_001487 COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K10 compound treatment 0.116 0.10437 0.544 0.083 0.06273 0.3486 0.0 -0.02238 -0.1266 0.4423 0.6718 3558843 ACon1_001488 COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K11 compound treatment 0.255 0.24337 1.2685 0.158 0.13773 0.7654 0.107 0.08462 0.4785 1.4506 0.9317 1254 ACon1_001489 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K12 compound treatment 0.017 0.0053745 0.028 -0.006 -0.02627 -0.146 -0.019 -0.04138 -0.234 -0.2032 -0.733 3557313 ACon1_001490 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(c[nH]c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K13 compound treatment -0.113 -0.12463 -0.6496 -0.03 -0.05027 -0.2794 -0.075 -0.09738 -0.5507 -0.8543 -0.9532 3555009 ACon1_001491 COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(c4c5[C@H](O)[C@H](C)OCc5c(O)c6c(OC)cc(OC)cc46)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K14 compound treatment 0.032 0.020374 0.1062 -0.06 -0.08027 -0.4461 -0.08 -0.10238 -0.579 -0.5305 -0.7183 3559158 ACon1_001492 Cc1ccc2C(=O)c3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3C(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K15 mock treatment -0.024 -0.035626 -0.1857 0.064 0.04373 0.243 0.026 0.0036202 0.0205 0.0449 0.1465 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K16 mock treatment -0.121 -0.13263 -0.6913 -0.097 -0.11727 -0.6517 0.031 0.0086202 0.0487 -0.7472 -0.7855 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K17 compound treatment 0.253 0.24137 1.2581 0.064 0.04373 0.243 0.031 0.0086202 0.0487 0.8948 0.6978 3552826 ACon1_001493 C[C@]1(CO)CCC[C@@]2(C)C1[C@H](O)CC3=C2COC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K18 compound treatment -0.048 -0.059626 -0.3108 0.052 0.03173 0.1763 0.143 0.12062 0.6821 0.3162 0.4106 3559193 ACon1_001494 CC(C)C[C@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OCc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K19 compound treatment 0.102 0.090374 0.4711 0.488 0.46773 2.5993 -0.058 -0.08038 -0.4546 1.5102 0.5634 3557988 ACon1_001495 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K20 compound treatment 0.073 0.061374 0.3199 0.013 -0.00727 -0.0404 0.135 0.11262 0.6369 0.5291 0.7411 3557832 ACon1_001496 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K21 compound treatment -0.041 -0.052626 -0.2743 -0.052 -0.07227 -0.4016 0.024 0.0016202 0.0092 -0.3849 -0.7914 3557515 ACon1_001497 OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K22 compound treatment 1.076 1.0644 5.3528 0.27 0.24973 1.3878 0.994 0.97162 5.4947 7.064 0.9062 3559214 ACon1_001498 CC/C=C\C=C\1/C(CCCCCCCC(=O)O)C=CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K23 mock treatment -0.04 -0.051626 -0.2691 -0.04 -0.06027 -0.3349 -0.077 -0.09938 -0.562 -0.6732 -0.9516 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 K24 mock treatment 0.0 -0.011626 -0.0606 -0.045 -0.06527 -0.3627 -0.018 -0.04038 -0.2284 -0.3762 -0.8692 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L01 compound treatment 0.054 0.042374 0.2209 0.087 0.06673 0.3708 0.119 0.09662 0.5464 0.6571 0.9437 3552939 ACon1_001499 C[C@H](O)c1nc2ccccc2c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L02 compound treatment -0.063 -0.074626 -0.389 0.088 0.06773 0.3764 0.174 0.15162 0.8574 0.4878 0.4811 3615055 ACon1_001500 CC/C=C/c1ccc(C)cc1CCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L03 compound treatment 0.025 0.013374 0.0697 0.025 0.00473 0.0263 -0.085 -0.10738 -0.6073 -0.2952 -0.4825 3559801 ACon1_001501 C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L04 compound treatment 0.006 -0.0056255 -0.0293 0.272 0.25173 1.3989 0.318 0.29562 1.6718 1.7559 0.8055 3615060 ACon1_001502 COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(O)c2)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L05 compound treatment 0.161 0.14937 0.7786 0.219 0.19873 1.1044 0.199 0.17662 0.9988 1.6638 0.9902 3615064 ACon1_001503 COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L06 compound treatment 0.129 0.11737 0.6118 0.073 0.05273 0.293 0.103 0.08062 0.4559 0.7856 0.9612 3615066 ACon1_001504 CCCC1=C(/C=C/C(=O)O)C(=O)C(O1)C(C)(C)C2OC(=C(/C=C/C(=O)O)C2=O)CCC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L07 mock treatment 0.083 0.071374 0.372 -0.132 -0.15227 -0.8462 0.06 0.03762 0.2127 -0.1509 -0.1591 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L08 mock treatment 0.043 0.031374 0.1635 0.092 0.07173 0.3986 0.03 0.0076202 0.0431 0.3494 0.807 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L09 compound treatment 0.07 0.058374 0.3043 0.012 -0.00827 -0.046 0.059 0.03662 0.2071 0.2687 0.7244 2113350 ACon1_001505 COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L10 compound treatment 0.079 0.067374 0.3512 0.183 0.16273 0.9043 -0.064 -0.08638 -0.4885 0.4428 0.4077 3615071 ACon1_001506 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@@H]3[C@H](C)[C@H](C[C@H]3C(CO)CO)OC(=O)CC4\C(=C\C)\C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L11 compound treatment 0.374 0.36237 1.8888 0.366 0.34573 1.9213 0.519 0.49662 2.8085 3.8212 0.9819 3615072 ACon1_001507 CC1CC(=O)[C@]2(C)CC[C@]3(C)C(=C(O)C(O)C4[C@@]5(C)CC[C@H](O)C(C)(C5CC[C@]43C)C(=O)O)C2C1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L12 compound treatment 0.181 0.16937 0.8828 0.006 -0.01427 -0.0793 -0.017 -0.03938 -0.2227 0.3353 0.3669 3557524 ACon1_001508 OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L13 compound treatment -0.081 -0.092626 -0.4828 -0.123 -0.14327 -0.7962 -0.09 -0.11238 -0.6355 -1.1053 -0.9805 3615077 ACon1_001509 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/COC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L14 compound treatment -0.083 -0.094626 -0.4932 0.108 0.08773 0.4875 0.049 0.02662 0.1505 0.0836 0.1179 3615080 ACon1_001510 CCC(O)CC1CCCC(CC(O)c2ccccc2)N1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L15 mock treatment -0.019 -0.030626 -0.1596 -0.037 -0.05727 -0.3183 -0.036 -0.05838 -0.3301 -0.4665 -0.9608 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L16 mock treatment 0.019 0.0073745 0.0384 0.085 0.06473 0.3597 -0.013 -0.03538 -0.2001 0.1144 0.2766 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L17 compound treatment -0.051 -0.062626 -0.3264 0.113 0.09273 0.5153 -0.115 -0.13738 -0.7769 -0.3395 -0.3437 3615082 ACon1_001511 C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]5(O[C@@]6(O)[C@H]7C[C@@H](O)[C@H]5[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O)[C@@]7(C)CC[C@@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L18 compound treatment 0.172 0.16037 0.8359 0.221 0.20073 1.1155 0.363 0.34062 1.9263 2.2388 0.9416 3615084 ACon1_001512 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](OC(=O)C)C32)[C@@H]61 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L19 compound treatment 0.157 0.14537 0.7577 -0.013 -0.03327 -0.1849 0.1 0.07762 0.439 0.5842 0.6527 3615086 ACon1_001513 CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)c4ccccc4)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L20 compound treatment 0.114 0.10237 0.5336 0.006 -0.01427 -0.0793 0.155 0.13262 0.75 0.6953 0.7526 1050697 ACon1_001514 CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L21 compound treatment 0.144 0.13237 0.69 -0.077 -0.09727 -0.5405 -0.029 -0.05138 -0.2906 -0.0815 -0.0882 3615088 ACon1_001515 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@](C)(CO)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O[C@@H]%11O[C@@H](CO)[C@H](O)[C@H]%11O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L22 compound treatment 0.141 0.12937 0.6743 0.236 0.21573 1.1988 0.271 0.24862 1.406 1.8932 0.9625 3615092 ACon1_001516 COc1cc2CCN(C)C3c4c(CC3(O)c2cc1O)ccc5OCOc54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L23 mock treatment 0.035 0.023374 0.1218 0.006 -0.01427 -0.0793 0.057 0.03462 0.1958 0.1376 0.5642 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 L24 mock treatment -0.039 -0.050626 -0.2639 -0.103 -0.12327 -0.685 -0.041 -0.06338 -0.3584 -0.7548 -0.9239 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M01 compound treatment 0.035 0.023374 0.1218 -0.156 -0.17627 -0.9796 -0.088 -0.11038 -0.6242 -0.8556 -0.7326 3553702 ACon1_001517 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M02 compound treatment 0.071 0.059374 0.3095 -0.133 -0.15327 -0.8517 -0.057 -0.07938 -0.4489 -0.5723 -0.5659 3559098 ACon1_001518 COc1c(O)cc(cc1O)[C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M03 compound treatment 0.092 0.080374 0.4189 -0.038 -0.05827 -0.3238 -0.048 -0.07038 -0.398 -0.1749 -0.264 3559053 ACon1_001519 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccccc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M04 compound treatment -0.08 -0.091626 -0.4776 0.039 0.01873 0.1041 0.045 0.02262 0.1279 -0.1418 -0.2806 3559037 ACon1_001520 COc1cc(ccc1O)C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M05 compound treatment 0.026 0.014374 0.0749 -0.012 -0.03227 -0.1793 0.094 0.07162 0.405 0.1736 0.3863 3554112 ACon1_001521 CCC(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC(=O)C(C3C2=CO1)C(=O)C(C)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M06 compound treatment 0.045 0.033374 0.174 0.012 -0.00827 -0.046 0.456 0.43362 2.4522 1.4897 0.6059 3559185 ACon1_001522 C[C@]12C[C@H](OC(=O)C2CC[C@]3(C)[C@H]1[C@@H]4OC(=O)[C@@]3(O)C=C4)c5ccoc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M07 compound treatment -0.216 -0.22763 -1.1864 -0.081 -0.10127 -0.5628 0.146 0.12362 0.6991 -0.6063 -0.4075 3559057 ACon1_001523 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M08 compound treatment 0.035 0.023374 0.1218 -0.29 -0.31027 -1.7242 0.239 0.21662 1.225 -0.2179 -0.1028 3557382 ACon1_001524 CC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M09 mock treatment -0.121 -0.13263 -0.6913 -0.065 -0.08527 -0.4739 0.126 0.10362 0.586 -0.3344 -0.327 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M10 mock treatment 0.044 0.032374 0.1687 -0.024 -0.04427 -0.246 0.056 0.03362 0.1901 0.0652 0.1842 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M11 compound treatment 0.06 0.048374 0.2521 -0.027 -0.04727 -0.2627 -0.017 -0.03938 -0.2227 -0.1347 -0.3155 3553353 ACon1_001525 CC(=O)OC/1C\C=C(/C)\CC(OC(=O)/C(=C\CO)/C)C2C(OC(=O)C2=C)\C=C1/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M12 compound treatment 0.123 0.11137 0.5805 0.154 0.13373 0.7432 0.16 0.13762 0.7783 1.2136 0.9925 3558922 ACon1_001526 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M13 mock treatment -0.042 -0.053626 -0.2795 -0.022 -0.04227 -0.2349 -0.053 -0.07538 -0.4263 -0.5431 -0.9676 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M14 mock treatment 0.035 0.023374 0.1218 -0.086 -0.10627 -0.5906 0.014 -0.0083798 -0.0474 -0.298 -0.4926 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M15 compound treatment -0.065 -0.076626 -0.3994 -0.11 -0.13027 -0.7239 0.014 -0.0083798 -0.0474 -0.6759 -0.8162 3554846 ACon1_001527 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M16 compound treatment -0.051 -0.062626 -0.3264 0.065 0.04473 0.2486 0.092 0.06962 0.3937 0.1824 0.3207 3558380 ACon1_001528 COc1cc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC4OC(C)C(O)C(O)C4O)C2O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M17 compound treatment 0.0 -0.011626 -0.0606 0.178 0.15773 0.8765 0.116 0.09362 0.5294 0.7768 0.7572 3554709 ACon1_001529 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M18 compound treatment 0.037 0.025374 0.1323 0.058 0.03773 0.2097 0.179 0.15662 0.8857 0.7088 0.7706 3557627 ACon1_001530 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M19 compound treatment -0.667 -0.67863 -3.5372 0.17 0.14973 0.8321 0.317 0.29462 1.6661 -0.5998 -0.1501 3552018 ACon1_001531 C/C=C(/C)\C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)C3[C@@](O)(CC[C@@]31C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M20 compound treatment -0.171 -0.18263 -0.9519 -0.035 -0.05527 -0.3071 -0.053 -0.07538 -0.4263 -0.973 -0.8949 3558024 ACon1_001532 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M21 compound treatment 0.16 0.14837 0.7734 0.055 0.03473 0.193 0.16 0.13762 0.7783 1.0073 0.9042 3553253 ACon1_001533 CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M22 compound treatment -0.15 -0.16163 -0.8424 -0.067 -0.08727 -0.485 -0.019 -0.04138 -0.234 -0.9015 -0.9016 3559206 ACon1_001534 CC1(C)C(O)CCC2(C)C3CCC4CC3(CC4(O)CO)CCC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M23 compound treatment -0.021 -0.032626 -0.1701 -0.075 -0.09527 -0.5294 -0.124 -0.14638 -0.8278 -0.8818 -0.8842 3559039 ACon1_001535 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 M24 compound treatment -0.006 -0.017626 -0.0919 -0.045 -0.06527 -0.3627 0.147 0.12462 0.7048 0.1444 0.181 3553939 ACon1_001536 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N01 compound treatment -0.128 -0.13963 -0.7278 -0.095 -0.11527 -0.6406 -0.143 -0.16538 -0.9353 -1.33 -0.9873 1037131 ACon1_001537 Cc1cc(C)c(O)c(c1)C(=O)CC2CC(=O)NC(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N02 compound treatment -0.143 -0.15463 -0.8059 0.064 0.04373 0.243 0.132 0.10962 0.6199 0.0329 0.0315 3615103 ACon1_001538 CC1CC(O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N03 compound treatment -0.031 -0.042626 -0.2222 0.053 0.03273 0.1819 0.034 0.01162 0.0657 0.0147 0.0498 3559788 ACon1_001539 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](O)[C@@H]([C@H]21)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N04 compound treatment -0.018 -0.029626 -0.1544 0.212 0.19173 1.0655 0.121 0.09862 0.5577 0.848 0.6994 3615108 ACon1_001540 CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N05 compound treatment -0.07 -0.081626 -0.4255 -0.012 -0.03227 -0.1793 0.13 0.10762 0.6086 0.0022 0.0029 3069522 ACon1_001541 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N06 compound treatment -0.352 -0.36363 -1.8953 -0.143 -0.16327 -0.9073 -0.09 -0.11238 -0.6355 -1.985 -0.9042 3615112 ACon1_001542 CCCC(O)c1ccc(C)cc1CCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N07 compound treatment 0.094 0.082374 0.4294 0.077 0.05673 0.3153 0.148 0.12562 0.7104 0.8401 0.9461 3615113 ACon1_001543 Cc1cc(C(=O)Oc2c(C)cc(C(=O)O)c(O)c2C)c(O)c(C)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N08 compound treatment 0.088 0.076374 0.3981 0.118 0.09773 0.5431 0.097 0.07462 0.422 0.787 0.9904 3559245 ACon1_001544 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N09 mock treatment 0.07 0.058374 0.3043 -0.018 -0.03827 -0.2127 0.077 0.05462 0.3089 0.2312 0.4788 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N10 mock treatment -0.025 -0.036626 -0.1909 0.006 -0.01427 -0.0793 0.12 0.09762 0.5521 0.1627 0.2761 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N11 compound treatment 0.07 0.058374 0.3043 0.277 0.25673 1.4267 0.285 0.26262 1.4852 1.8568 0.8919 3615116 ACon1_001545 COC(/C=C/CC\C=C\C(=O)O)C(O)C(C)C(O)/C(=C/C(C)C(=O)CCCC1CC(=O)NC(=O)C1)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N12 compound treatment 0.037 0.025374 0.1323 0.15 0.12973 0.7209 0.043 0.02062 0.1166 0.5599 0.7544 3615120 ACon1_001546 CCCC[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N13 mock treatment -0.126 -0.13763 -0.7173 -0.06 -0.08027 -0.4461 0.006 -0.01638 -0.0926 -0.7252 -0.8534 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N14 mock treatment -0.005 -0.016626 -0.0867 0.139 0.11873 0.6598 0.234 0.21162 1.1968 1.0219 0.7462 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N15 compound treatment -0.103 -0.11463 -0.5975 0.014 -0.00627 -0.0348 0.116 0.09362 0.5294 -0.0594 -0.0743 3615123 ACon1_001547 COC(=O)c1cccc(O)c1C(=O)c2c(O)cc(C)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N16 compound treatment -0.067 -0.078626 -0.4098 0.088 0.06773 0.3764 0.012 -0.01038 -0.0587 -0.0532 -0.0951 3615126 ACon1_001548 COc1ccc(cc1Cl)C(=O)NCCc2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N17 compound treatment 0.076 0.064374 0.3355 0.194 0.17373 0.9654 0.291 0.26862 1.5191 1.6282 0.8893 3615128 ACon1_001549 COc1cc(OC)c(cc1OC)c2coc3c4C=CC(C)(C)Oc4c(OC)cc3c2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N18 compound treatment 0.076 0.064374 0.3355 0.024 0.00373 0.0207 -0.03 -0.05238 -0.2962 0.0347 0.0774 2259 ACon1_001550 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N19 compound treatment -0.069 -0.080626 -0.4202 -0.027 -0.04727 -0.2627 -0.024 -0.04638 -0.2623 -0.5457 -0.9733 3615132 ACon1_001551 COc1ccc2C[C@@H]3[C@H](COC3=O)[C@H](OC(=O)/C(=C\C)/C)c4cc(OC)c(OC)cc4-c2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N20 compound treatment 0.019 0.0073745 0.0384 0.0 -0.02027 -0.1126 0.208 0.18562 1.0497 0.5632 0.5331 3615136 ACon1_001552 CC(O)c1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N21 compound treatment 0.097 0.085374 0.445 0.175 0.15473 0.8599 0.15 0.12762 0.7217 1.17 0.9689 3615138 ACon1_001553 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N22 compound treatment -0.019 -0.030626 -0.1596 0.146 0.12573 0.6987 0.112 0.08962 0.5068 0.6038 0.6879 3615141 ACon1_001554 C/C=C(/C)\C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N23 compound treatment 0.032 0.020374 0.1062 0.049 0.02873 0.1597 0.129 0.10662 0.603 0.5016 0.7928 3614951 ACon1_001555 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 N24 compound treatment -0.095 -0.10663 -0.5558 0.063 0.04273 0.2375 -0.073 -0.09538 -0.5394 -0.4952 -0.6113 3615144 ACon1_001556 CO/C=C(/C1CC2N(CCC23C(=O)Nc4ccccc43)CC1C=C)\C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O01 compound treatment 0.025 0.013374 0.0697 0.125 0.10473 0.582 0.509 0.48662 2.7519 1.9651 0.6984 3559328 ACon1_001557 CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(=C(C)C)C[C@H]3[C@]2(C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O02 compound treatment 0.111 0.099374 0.518 0.103 0.08273 0.4597 0.044 0.02162 0.1223 0.6351 0.903 3559070 ACon1_001558 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@]5(C)[C@H](CCC=C5C)[C@@]1(C)CC[C@](C)(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O03 compound treatment -0.065 -0.076626 -0.3994 0.054 0.03373 0.1874 0.033 0.01062 0.0601 -0.0877 -0.1969 1093459 ACon1_001559 COc1cc(CC2COC(=O)C2(O)Cc3ccc(O)c(OC)c3)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O04 compound treatment -0.062 -0.073626 -0.3838 0.006 -0.01427 -0.0793 0.054 0.03162 0.1788 -0.1641 -0.381 3559095 ACon1_001560 C/C=C(/C)\C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O05 compound treatment -0.067 -0.078626 -0.4098 0.123 0.10273 0.5709 0.025 0.0026202 0.0148 0.1016 0.1445 3558913 ACon1_001561 OC(=O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O06 compound treatment 0.096 0.084374 0.4398 -0.085 -0.10527 -0.585 0.251 0.22862 1.2929 0.6626 0.446 3559222 ACon1_001562 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O07 compound treatment 0.167 0.15537 0.8098 -0.054 -0.07427 -0.4127 0.212 0.18962 1.0723 0.8484 0.6035 3557351 ACon1_001563 C[C@@H](OC(=O)C)[C@@H]1[C@]23O[C@@]3([C@H](O)c4c(O)c(ccc4C2=O)c5ccc6C(=O)[C@@]78O[C@@]8([C@H](O)c6c5O)C(=O)C[C@](C)(O)[C@@H]7[C@@H](C)OC(=O)C)C(=O)C[C@]1(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O08 compound treatment 0.078 0.066374 0.346 0.056 0.03573 0.1986 0.211 0.18862 1.0667 0.9302 0.8168 3559212 ACon1_001564 CC(C)C(C)(O)C(=O)OCC1=CCN2CCC(O)C21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O09 compound treatment -0.017 -0.028626 -0.1492 -0.006 -0.02627 -0.146 0.073 0.05062 0.2863 -0.0052 -0.0145 3615151 ACon1_001565 C[C@@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)O[C@@]91CC[C@@](C)(CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O9 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O10 compound treatment 0.156 0.14437 0.7525 1.925 1.9047 7.3628 0.272 0.24962 1.4116 5.5004 0.73 3557334 ACon1_001566 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)/C(=C/c5cnc[nH]5)/NC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O11 mock treatment -0.111 -0.12263 -0.6392 0.099 0.07873 0.4375 0.057 0.03462 0.1958 -0.0034 -0.0042 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O12 mock treatment -0.006 -0.017626 -0.0919 -0.046 -0.06627 -0.3683 0.091 0.06862 0.3881 -0.0416 -0.0767 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O13 compound treatment 0.104 0.092374 0.4815 0.006 -0.01427 -0.0793 -0.062 -0.08438 -0.4772 -0.0433 -0.0635 3554512 ACon1_001567 CO[C@H]1/C=C/C=C(\C)/C[C@H](C)[C@H](O)[C@H](C)/C=C(\C)/C=C(\OC)/C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)\C=C\[C@H](C)[C@H](O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O14 compound treatment 0.013 0.0013745 0.0072 -0.184 -0.20427 -1.1352 0.083 0.06062 0.3428 -0.4533 -0.3823 3180421 ACon1_001568 COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O15 compound treatment 0.011 -6.2552E-4 -0.0033 -0.031 -0.05127 -0.2849 0.031 0.0086202 0.0487 -0.1382 -0.4782 3557322 ACon1_001569 CC/C=C/C=C/1\CO[C@@]2(CC[C@@H](CO)O2)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O16 compound treatment -0.047 -0.058626 -0.3056 0.193 0.17273 0.9599 0.221 0.19862 1.1232 1.0263 0.6802 3557362 ACon1_001570 CC(=O)c1nc2ccccc2c(=O)[nH]1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O17 compound treatment -0.111 -0.12263 -0.6392 0.013 -0.00727 -0.0404 0.074 0.05162 0.2919 -0.2238 -0.318 3553815 ACon1_001571 CC[C@H]/1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O18 compound treatment 0.045 0.033374 0.174 -0.141 -0.16127 -0.8962 0.312 0.28962 1.6379 0.5286 0.2819 3558879 ACon1_001572 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]21)/CO)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O19 compound treatment 0.146 0.13437 0.7004 0.103 0.08273 0.4597 -0.037 -0.05938 -0.3358 0.4759 0.5273 3554106 ACon1_001573 CCC(C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]42[C@H]3[C@@]5(C)[C@H](O)C(=O)C=C(C)[C@@H]5C[C@H]4OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O20 compound treatment 0.0 -0.011626 -0.0606 0.043 0.02273 0.1263 0.093 0.07062 0.3994 0.2685 0.6345 3559210 ACon1_001574 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O21 compound treatment 0.0 -0.011626 -0.0606 -0.012 -0.03227 -0.1793 -0.157 -0.17938 -1.0144 -0.7242 -0.7018 3558433 ACon1_001575 CC1OC(OC2C(OC3OCC(O)C(O)C3O)C(OCCc4ccc(O)c(O)c4)OC(CO)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O22 compound treatment 0.025 0.013374 0.0697 -0.09 -0.11027 -0.6128 0.044 0.02162 0.1223 -0.243 -0.3864 3557365 ACon1_001576 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)[C@H](O)[C@@]42C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O23 compound treatment 0.029 0.017374 0.0906 0.018 -0.00227 -0.0126 0.057 0.03462 0.1958 0.158 0.7314 3558906 ACon1_001577 CCC(C)C(=O)OC/C=C(\C)/CC[C@H]1C(=C)C(O)CC2[C@@](C)(COC(=O)C)CC(O)C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 O24 compound treatment -0.106 -0.11763 -0.6131 0.084 0.06373 0.3542 0.107 0.08462 0.4785 0.1268 0.1484 3557395 ACon1_001578 CC1(CO)CC(O)CC2(C)C1CCC3=C2COC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P01 compound treatment -0.043 -0.054626 -0.2847 0.025 0.00473 0.0263 0.063 0.04062 0.2297 -0.0166 -0.0452 1000475 ACon1_001579 O=c1ccc2cc3ccoc3cc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P02 compound treatment -0.012 -0.023626 -0.1231 0.126 0.10573 0.5876 0.025 0.0026202 0.0148 0.2767 0.4608 3615161 ACon1_001580 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P03 compound treatment -0.103 -0.11463 -0.5975 0.05 0.02973 0.1652 0.06 0.03762 0.2127 -0.1267 -0.1934 3553075 ACon1_001581 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P04 compound treatment 0.182 0.17037 0.888 0.422 0.40173 2.2325 0.23 0.20762 1.1741 2.4795 0.9272 3615165 ACon1_001582 Cc1cc(O)c(C)c2Oc3c(C)c(O)c(O)c(C)c3OC(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P05 compound treatment 0.084 0.072374 0.3772 0.071 0.05073 0.2819 0.184 0.16162 0.914 0.9083 0.8834 3615168 ACon1_001583 Oc1cccc2C(=O)Nc3ccccc3-c4nc5ccccc5c(=O)n4-c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P06 compound treatment 0.013 0.0013745 0.0072 -0.012 -0.03227 -0.1793 0.117 0.09462 0.5351 0.2095 0.3713 3615170 ACon1_001584 CC1CC(OC=O)C2C(C)C(CCC2(C)C31CCC4(COC(=O)C4)O3)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P07 compound treatment 0.037 0.025374 0.1323 0.115 0.09473 0.5264 0.087 0.06462 0.3654 0.5913 0.9036 3615172 ACon1_001585 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OC(CC4OC)O[C@H]5CC[C@]6(C)C7CC(OC(=O)c8ccccc8)[C@]9(C)[C@@](O)(CC[C@]9(O)[C@]7(O)CC=C6C5)C(=O)C)OC(C)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P08 compound treatment 0.006 -0.0056255 -0.0293 -0.066 -0.08627 -0.4794 0.034 0.01162 0.0657 -0.2558 -0.5276 3615176 ACon1_001586 O[C@@H]1[C@@H](O)[C@H](Oc2c(O)c(c(O)cc2c3ccccc3)c4ccccc4)O[C@@H]([C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P09 compound treatment 0.092 0.080374 0.4189 -0.095 -0.11527 -0.6406 0.046 0.02362 0.1336 -0.0508 -0.0654 3615180 ACon1_001587 Cc1cc2C(=O)c3ccccc3C(=O)c2cc1O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P10 compound treatment 0.12 0.10837 0.5649 0.25 0.22973 1.2766 0.144 0.12162 0.6878 1.4603 0.9383 3615183 ACon1_001588 CC(=O)[C@@]12C[C@@H](CC[C@@]2(C)CC[C@@H]1O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P11 mock treatment -0.083 -0.094626 -0.4932 -0.027 -0.04727 -0.2627 0.151 0.12862 0.7274 -0.0165 -0.018 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P12 mock treatment 0.0 -0.011626 -0.0606 0.021 7.2998E-4 0.0041 -0.161 -0.18338 -1.037 -0.6314 -0.6078 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P13 compound treatment 0.255 0.24337 1.2685 0.317 0.29673 1.649 0.481 0.45862 2.5936 3.1818 0.957 3615185 ACon1_001589 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P14 compound treatment 0.073 0.061374 0.3199 0.092 0.07173 0.3986 0.054 0.03162 0.1788 0.5181 0.9568 3615189 ACon1_001590 COc1cc(nc(/C=N/O)c1S(=O)C)c2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P15 compound treatment -0.006 -0.017626 -0.0919 -0.012 -0.03227 -0.1793 0.024 0.0016202 0.0092 -0.1513 -0.7501 3557312 ACon1_001591 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P16 compound treatment 0.236 0.22437 1.1695 0.268 0.24773 1.3767 0.211 0.18862 1.0667 2.0859 0.9943 3615194 ACon1_001592 CC(C)(C=C)C12CC3N(C2Nc4ccccc41)C(=O)C(Cc5c[nH]cn5)NC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P17 compound treatment 0.23 0.21837 1.1382 0.343 0.32273 1.7935 0.21 0.18762 1.061 2.3052 0.9708 3558732 ACon1_001593 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P18 compound treatment 0.14 0.12837 0.6691 -0.03 -0.05027 -0.2794 0.065 0.04262 0.241 0.3642 0.4766 3615196 ACon1_001594 COC(=O)C1(CO)C/2CCN(C\C2=C/C)Cc3c1[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P19 compound treatment -0.03 -0.041626 -0.217 0.05 0.02973 0.1652 0.141 0.11862 0.6708 0.3574 0.4936 3615200 ACon1_001595 C/C(=C\CCC(C)(O)C=C)/C(=O)OC1C2OC2(C)C3C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)OC=CC13O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P20 compound treatment -0.013 -0.024626 -0.1284 0.095 0.07473 0.4153 -0.05 -0.07238 -0.4093 -0.0707 -0.1183 2096349 ACon1_001596 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3=O)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P21 compound treatment 0.225 0.21337 1.1122 0.025 0.00473 0.0263 0.072 0.04962 0.2806 0.8193 0.7141 1054272 ACon1_001597 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P22 compound treatment 0.078 0.066374 0.346 -0.056 -0.07627 -0.4238 0.133 0.11062 0.6256 0.3162 0.3805 1874510 ACon1_001598 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC61CCC(C)CN6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P23 compound treatment 0.264 0.25237 1.3154 0.317 0.29673 1.649 0.17 0.14762 0.8348 2.1935 0.9669 3615206 ACon1_001599 CC1OC(O[C@H]2[C@@H](O)C[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)[C@]2(C)CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2294 P24 compound treatment 0.018 0.0063745 0.0332 -0.033 -0.05327 -0.296 0.012 -0.01038 -0.0587 -0.1856 -0.6114 1707947 ACon1_001600 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A01 compound treatment 0.041 0.029374 0.1531 0.108 0.08773 0.4875 0.065 0.04262 0.241 0.509 0.9009 3615211 ACon1_001601 COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A02 compound treatment -0.145 -0.15663 -0.8164 -0.022 -0.04227 -0.2349 -0.057 -0.07938 -0.4489 -0.8661 -0.9015 3615213 ACon1_001602 CC1OC(Oc2cc(O)c(C3OC(C)C(O)C(O)C3O)c4oc(cc(=O)c24)c5ccc(O)cc5)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A03 compound treatment -0.05 -0.061626 -0.3212 -0.071 -0.09127 -0.5072 0.081 0.05862 0.3315 -0.2869 -0.4183 3484788 ACon1_001603 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A04 compound treatment -0.068 -0.079626 -0.415 -0.101 -0.12127 -0.6739 -0.032 -0.05438 -0.3075 -0.8063 -0.9495 3615215 ACon1_001604 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(Oc4cc(OC)c(OC)c(OC)c4)OC3CO)[C@@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A05 compound treatment 0.025 0.013374 0.0697 0.067 0.04673 0.2597 0.146 0.12362 0.6991 0.5938 0.7928 3557487 ACon1_001605 CC1(O)CC2(CC1CCC23)CC(=O)C4C(CO)(CCCC34C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A06 compound treatment -0.054 -0.065626 -0.3421 -0.027 -0.04727 -0.2627 -0.023 -0.04538 -0.2566 -0.4973 -0.9909 3615219 ACon1_001606 CCCCCC(=O)CC(O)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A07 compound treatment -0.367 -0.37863 -1.9735 0.039 0.01873 0.1041 0.205 0.18262 1.0328 -0.483 -0.2166 3553900 ACon1_001607 CC1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](O)[C@@H]3[C@@H]2OC(=O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A08 compound treatment -0.018 -0.029626 -0.1544 -0.101 -0.12127 -0.6739 0.136 0.11362 0.6425 -0.1073 -0.1136 3615221 ACon1_001608 CC1(CCCC2(C)C1C(O)CC3(CC4(O)CC=C32)C(=O)C4=C)C(=O)OC5OC(CO)C(O)C(O)C5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A09 compound treatment -0.072 -0.083626 -0.4359 0.138 0.11773 0.6542 0.056 0.03362 0.1901 0.2358 0.2916 3615223 ACon1_001609 C[C@@]1(O)C[C@@H](O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A10 compound treatment -0.063 -0.074626 -0.389 -0.053 -0.07327 -0.4072 0.086 0.06362 0.3598 -0.2519 -0.377 3615227 ACon1_001610 C[C@@]12CCC[C@@]3(C)C2[C@@H](C[C@@]4(CO4)[C@]3(O)CCc5ccoc5)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A11 compound treatment 0.033 0.021374 0.1114 0.11 0.08973 0.4986 -0.018 -0.04038 -0.2284 0.2204 0.3938 1088391 ACon1_001611 CC1=CC(=O)c2c(O)cccc2C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A12 compound treatment 0.025 0.013374 0.0697 0.214 0.19373 1.0766 0.135 0.11262 0.6369 1.0295 0.8218 3615231 ACon1_001612 COC(/C=C/C(OC(=O)C)C(C)OC(=O)C)C(O)C1CC=CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A13 mock treatment 0.02 0.0083745 0.0436 -0.039 -0.05927 -0.3294 0.14 0.11762 0.6652 0.2191 0.2946 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A14 mock treatment 0.035 0.023374 0.1218 0.086 0.06573 0.3653 0.066 0.04362 0.2467 0.4237 0.9264 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A15 compound treatment 0.019 0.0073745 0.0384 -0.123 -0.14327 -0.7962 -0.101 -0.12338 -0.6977 -0.8403 -0.7932 3615235 ACon1_001613 OC1Cc2c(O)c3C(C(O)C(Oc3cc2OC1c4ccc(O)c(O)c4)c5ccc(O)c(O)c5)c6ccc(O)cc6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A16 compound treatment 0.075 0.063374 0.3303 -0.064 -0.08427 -0.4683 0.075 0.05262 0.2976 0.0921 0.1427 3615238 ACon1_001614 CC(C)/C=C/C=C(\C)/CC/C=C(\C)/CCOc1c(O)cc2C(=O)NCc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A17 compound treatment -0.14 -0.15163 -0.7903 0.006 -0.01427 -0.0793 0.058 0.03562 0.2014 -0.3858 -0.4708 3615241 ACon1_001615 C[C@@H]1O[C@@H](OC(=O)c2c(C)coc2C)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A18 compound treatment -0.06 -0.071626 -0.3733 -0.119 -0.13927 -0.7739 0.213 0.19062 1.078 -0.04 -0.029 3615246 ACon1_001616 C[C@@H]1O[C@@H](OC2C(O)C(O)C(OC3C(O)COC(O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C)C3O)OC2C(=O)O)[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A19 compound treatment 0.212 0.20037 1.0444 0.138 0.11773 0.6542 0.178 0.15562 0.8801 1.4888 0.9831 3615250 ACon1_001617 OC1CCC(=O)c2c(O)cccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A20 compound treatment 0.073 0.061374 0.3199 -0.142 -0.16227 -0.9018 0.121 0.09862 0.5577 -0.0139 -0.0126 3559151 ACon1_001618 CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)COC8OC(CO)C(O)C(O)C8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A21 compound treatment 0.549 0.53737 2.8009 0.917 0.89673 4.9833 0.54 0.51762 2.9272 6.1842 0.9629 3615252 ACon1_001619 OC(=O)CCCCCCC/C=C\CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A22 compound treatment 0.189 0.17737 0.9245 0.211 0.19073 1.0599 -0.012 -0.03438 -0.1944 1.0335 0.7279 1018507 ACon1_001620 Oc1ccc(C=O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A23 compound treatment 0.14 0.12837 0.6691 0.156 0.13573 0.7543 0.194 0.17162 0.9705 1.3821 0.9876 3615257 ACon1_001621 CC(=O)OC(CCCCc1ccc(O)c(O)c1)CCc2ccc(O)c(O)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 A24 compound treatment 0.138 0.12637 0.6587 0.194 0.17373 0.9654 0.026 0.0036202 0.0205 0.9495 0.8123 3559182 ACon1_001622 COc1cc(cc(OC)c1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B01 compound treatment -0.047 -0.058626 -0.3056 -0.049 -0.06927 -0.3849 -0.188 -0.21038 -1.1897 -1.0856 -0.8433 3615259 ACon1_001623 COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@H](C)O[C@H]2OCC4OC(Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)C(O)C(O)C4O)cc(OC)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B02 compound treatment -0.086 -0.097626 -0.5088 0.109 0.08873 0.4931 0.223 0.20062 1.1345 0.6459 0.4829 3615262 ACon1_001624 OCCCCCCCC=C(C(=O)O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B03 compound treatment -0.012 -0.023626 -0.1231 0.089 0.06873 0.3819 0.181 0.15862 0.897 0.6673 0.6791 3615264 ACon1_001625 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B04 compound treatment -0.06 -0.071626 -0.3733 0.124 0.10373 0.5764 -0.057 -0.07938 -0.4489 -0.1419 -0.173 3615266 ACon1_001626 CN1C(=O)c2ccccc2-n3c(nc4ccccc4c3=O)[C@]51O[C@H]5c6ccccc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B05 compound treatment 0.063 0.051374 0.2678 -0.163 -0.18327 -1.0185 0.114 0.09162 0.5181 -0.1343 -0.1144 3615270 ACon1_001627 COc1c(Cc2ccccc2O)c(O)c(Cc3ccccc3O)c(O)c1C(=O)CCc4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B06 compound treatment 0.198 0.18637 0.9714 0.061 0.04073 0.2263 0.077 0.05462 0.3089 0.8699 0.8331 3615272 ACon1_001628 CCC(C)CC(C)/C=C\C1OC2=C(C(O)C1O)C(=O)OC2(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B07 compound treatment 0.197 0.18537 0.9662 0.265 0.24473 1.36 0.587 0.56462 3.193 3.1865 0.8845 3615275 ACon1_001629 CC(=CCCC(C)(O)C(O)Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B08 compound treatment 0.093 0.081374 0.4241 0.059 0.03873 0.2152 0.058 0.03562 0.2014 0.4854 0.9398 3054974 ACon1_001630 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B09 compound treatment 0.142 0.13037 0.6795 0.167 0.14673 0.8154 0.175 0.15262 0.8631 1.3614 0.9951 3615278 ACon1_001631 CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(/C=C/C(C)(C)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B10 compound treatment 0.073 0.061374 0.3199 0.077 0.05673 0.3153 -0.019 -0.04138 -0.234 0.2316 0.4573 3559815 ACon1_001632 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B11 compound treatment 0.186 0.17437 0.9089 -0.15 -0.17027 -0.9462 0.069 0.04662 0.2636 0.1307 0.0976 3559060 ACon1_001633 COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@]3(O)c2cc1OC)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B12 compound treatment -0.036 -0.047626 -0.2482 -0.031 -0.05127 -0.2849 -0.141 -0.16338 -0.9239 -0.8413 -0.8427 3076873 ACon1_001634 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B13 mock treatment -0.164 -0.17563 -0.9154 -0.1 -0.12027 -0.6684 -0.027 -0.04938 -0.2793 -1.0756 -0.9214 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B14 mock treatment 0.129 0.11737 0.6118 0.167 0.14673 0.8154 0.062 0.03962 0.2241 0.9533 0.9134 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B15 compound treatment 0.172 0.16037 0.8359 0.153 0.13273 0.7376 0.076 0.05362 0.3032 1.0835 0.9379 3615283 ACon1_001635 COc1cc(oc(=O)c1C)C(C)C=C(C)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B16 compound treatment 0.384 0.37237 1.9409 0.857 0.83673 4.6498 0.444 0.42162 2.3843 5.1818 0.9296 3615285 ACon1_001636 OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B17 compound treatment 0.051 0.039374 0.2052 0.058 0.03773 0.2097 0.194 0.17162 0.9705 0.7999 0.7889 3615286 ACon1_001637 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B18 compound treatment 0.19 0.17837 0.9297 0.066 0.04573 0.2541 0.184 0.16162 0.914 1.2112 0.9118 3615290 ACon1_001638 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)c(O)c7)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B19 compound treatment 0.135 0.12337 0.6431 0.041 0.02073 0.1152 0.325 0.30262 1.7114 1.4258 0.7784 3615295 ACon1_001639 COc1cc2c(cc1O)C(=O)CC3C(C)(C)C(=O)CCC32C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B20 compound treatment 0.012 3.7448E-4 0.002 0.156 0.13573 0.7543 0.018 -0.0043798 -0.0248 0.4223 0.5596 3615297 ACon1_001640 CC1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC3C(=CCC4[C@@](C)(CCC[C@]34C)C(=O)O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B21 compound treatment 0.241 0.22937 1.1956 0.189 0.16873 0.9377 0.15 0.12762 0.7217 1.6483 0.9799 3615299 ACon1_001641 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)cc(O)c2C)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B22 compound treatment -0.09 -0.10163 -0.5297 0.033 0.01273 0.0707 0.006 -0.01638 -0.0926 -0.3185 -0.5872 3615301 ACon1_001642 COc1cc(/C=C/COC2OC(CO)C(O)C(O)C2O)cc3C(CO)C(Oc31)c4ccc(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B23 compound treatment 0.006 -0.0056255 -0.0293 0.154 0.13373 0.7432 0.0 -0.02238 -0.1266 0.3391 0.4494 3615306 ACon1_001643 COc1cc2oc(cc(=O)c2c(OC)c1OC)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 B24 compound treatment 0.072 0.060374 0.3147 -0.048 -0.06827 -0.3794 0.03 0.0076202 0.0431 -0.0125 -0.0252 3558267 ACon1_001644 C[C@@]12CC[C@@H](O)C(=C)C2C[C@@H](CC1)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C01 compound treatment 0.045 0.033374 0.174 0.0 -0.02027 -0.1126 -0.077 -0.09938 -0.562 -0.2891 -0.4826 3615308 ACon1_001645 COC(=O)[C@@H]1C[C@@]2(C=CC[N+]3([O-])CC[C@]45[C@H]23)C(C)[C@]51Nc6ccccc64 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C02 compound treatment -0.09 -0.10163 -0.5297 0.013 -0.00727 -0.0404 0.025 0.0026202 0.0148 -0.3206 -0.6032 3615312 ACon1_001646 OCC1OC(OCC2OC(OC(CCc3ccccc3)CC(=O)CCc4ccccc4)C(O)C(O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C03 compound treatment -0.045 -0.056626 -0.2951 -0.138 -0.15827 -0.8795 -0.007 -0.02938 -0.1661 -0.7741 -0.8214 3554647 ACon1_001647 COC(=O)C(=C)[C@]1(O[C@@]/23CC[C@@](C)(O)CC1=O)[C@H](C[C@@]3(C)OC(=O)\C2=C\C)OC(=O)C(=C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C04 compound treatment -0.115 -0.12663 -0.66 0.163 0.14273 0.7932 0.296 0.27362 1.5474 0.9703 0.5217 3615314 ACon1_001648 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(OC(C)/C=C/C4(O)C(C)CC(O)CC4(C)C)OC3CO)[C@@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C05 compound treatment -0.073 -0.084626 -0.4411 0.054 0.03373 0.1874 0.181 0.15862 0.897 0.3715 0.3652 3553387 ACon1_001649 CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C06 compound treatment 0.08 0.068374 0.3564 0.121 0.10073 0.5598 0.204 0.18162 1.0271 1.1219 0.9175 3615318 ACon1_001650 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)OC6OC(COC7OC(CO)C(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(O)C7O)C(O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C07 compound treatment 0.069 0.057374 0.299 0.061 0.04073 0.2263 -0.042 -0.06438 -0.3641 0.0931 0.1782 3558295 ACon1_001651 CC(C)c1cc2CCC3C(C)(C)C[C@H](O)C[C@]3(C)c2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C08 compound treatment 0.057 0.045374 0.2365 0.03 0.00973 0.0541 0.192 0.16962 0.9592 0.7216 0.7293 3615325 ACon1_001652 CC1OC(OC2C(O)C(O)C(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC2C(=O)O)C(OC9OCC(O)C(O)C9O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C09 compound treatment 0.027 0.015374 0.0801 0.079 0.05873 0.3264 0.139 0.11662 0.6595 0.6155 0.8315 3558212 ACon1_001653 C[C@@]1(O)CCC2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1C[C@H](O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C10 compound treatment 0.115 0.10337 0.5388 0.2 0.17973 0.9988 0.085 0.06262 0.3541 1.0922 0.9187 3615328 ACon1_001654 CC1OC(OCC2OC(OCC3(C)C(O)CCC4(C)C3CCC5(C)C4CCC6C7=CC(C)(C)CCC7(CCC65C)C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C11 mock treatment 0.0 -0.011626 -0.0606 0.054 0.03373 0.1874 0.012 -0.01038 -0.0587 0.0393 0.1914 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C12 mock treatment 0.158 0.14637 0.7629 0.051 0.03073 0.1708 0.0 -0.02238 -0.1266 0.466 0.5884 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C13 compound treatment -0.012 -0.023626 -0.1231 0.019 -0.00127 -0.0071 0.084 0.06162 0.3485 0.126 0.3409 3553489 ACon1_001655 CC(C)[C@@H](NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C14 compound treatment -0.037 -0.048626 -0.2534 0.114 0.09373 0.5209 0.17 0.14762 0.8348 0.6364 0.6263 3615331 ACon1_001656 CCCCCCCCC/C=C/CCCCC(=O)C1C(=O)CCC(O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C15 mock treatment -0.035 -0.046626 -0.243 -0.032 -0.05227 -0.2905 -0.071 -0.09338 -0.5281 -0.6129 -0.9431 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C16 mock treatment 0.042 0.030374 0.1583 0.211 0.19073 1.0599 0.075 0.05262 0.2976 0.8752 0.7869 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C17 compound treatment 0.25 0.23837 1.2425 0.31 0.28973 1.6101 0.211 0.18862 1.0667 2.2628 0.9853 3615336 ACon1_001657 OC(=O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC(=O)/C=C/c3ccc(O)c(O)c3)C(OC(=O)/C=C/c4ccc(O)c(O)c4)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C18 compound treatment 0.071 0.059374 0.3095 -0.065 -0.08527 -0.4739 0.091 0.06862 0.3881 0.1291 0.1882 3615339 ACon1_001658 CC(C)/C=C/C=C(\C)/CCC\C(=C\COc1c(O)cc2C(=O)NCc2c1O)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C19 compound treatment 0.029 0.017374 0.0906 0.101 0.08073 0.4486 0.128 0.10562 0.5973 0.6562 0.872 3554116 ACon1_001659 CCC(C)[C@@H]1N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C20 compound treatment -0.138 -0.14963 -0.7799 0.07 0.04973 0.2764 0.236 0.21362 1.2081 0.4068 0.2778 3615343 ACon1_001660 C[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H](CC2(C)C)C4=CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)C6CC[C@@]5(C)[C@]4(C)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C21 compound treatment 0.105 0.093374 0.4867 -0.052 -0.07227 -0.4016 0.012 -0.01038 -0.0587 0.0152 0.024 3558893 ACon1_001661 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C22 compound treatment 0.064 0.052374 0.273 0.175 0.15473 0.8599 0.1 0.07762 0.439 0.9075 0.9045 3559174 ACon1_001662 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(CC(=O)c23)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C23 compound treatment 0.137 0.12537 0.6535 0.242 0.22173 1.2322 0.16 0.13762 0.7783 1.538 0.963 3615348 ACon1_001663 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(CN4CCCC4C(=O)O)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 C24 compound treatment 0.071 0.059374 0.3095 0.147 0.12673 0.7043 0.0 -0.02238 -0.1266 0.5122 0.657 3559220 ACon1_001664 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D01 compound treatment 0.06 0.048374 0.2521 -0.08 -0.10027 -0.5572 -0.134 -0.15638 -0.8844 -0.6867 -0.6387 3615352 ACon1_001665 C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc3ccc(=O)oc13)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D02 compound treatment -0.007 -0.018626 -0.0971 -0.079 -0.09927 -0.5517 -0.043 -0.06538 -0.3697 -0.588 -0.8761 3615355 ACon1_001666 O[C@@H]1CC(=O)c2cccc(O)c2[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D03 compound treatment 0.373 0.36137 1.8836 0.647 0.62673 3.4828 0.307 0.28462 1.6096 4.0276 0.9423 3615359 ACon1_001667 OCCCCC/C=C\C/C=C\C(O)CC1CCC(CC(=O)O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D04 compound treatment 0.228 0.21637 1.1278 -0.016 -0.03627 -0.2016 0.181 0.15862 0.897 1.0527 0.7234 3615363 ACon1_001668 COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C4CCC5C4(C)CC(O)C6OC(CCC56C)C(C)(C)OC7OC(CO)C(O)C(O)C7NC(=O)C)C(NC(=O)C)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D05 compound treatment -0.07 -0.081626 -0.4255 -0.012 -0.03227 -0.1793 0.156 0.13362 0.7556 0.0871 0.0984 3615365 ACon1_001669 Cc1cc(O)c2c(=O)c3c(cc(O)cc3oc2c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D06 compound treatment 0.132 0.12037 0.6274 0.21 0.18973 1.0544 0.148 0.12562 0.7104 1.3811 0.9742 3615368 ACon1_001670 CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CC(CCCCCCCCCC(C)C)OC1=O)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D07 compound treatment -0.011 -0.022626 -0.1179 0.006 -0.01427 -0.0793 -0.053 -0.07538 -0.4263 -0.36 -0.8011 3615370 ACon1_001671 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)COc2c3ccoc3cc4oc(=O)ccc24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D08 compound treatment 0.115 0.10337 0.5388 -0.018 -0.03827 -0.2127 0.043 0.02062 0.1166 0.2556 0.4326 3554551 ACon1_001672 COC(=O)[C@]1(C)CC[C@@H](OC(=O)C)[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3([C@H](OC(=O)C)C4=C)[C@H](CC12)OC(=O)[C@]5(C)O[C@@H]5C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D09 compound treatment 0.0 -0.011626 -0.0606 -0.181 -0.20127 -1.1185 -0.04 -0.06238 -0.3528 -0.8844 -0.7531 3615375 ACon1_001673 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D10 compound treatment -0.148 -0.15963 -0.832 -0.033 -0.05327 -0.296 0.0 -0.02238 -0.1266 -0.7243 -0.8119 3559785 ACon1_001674 COc1ccc(cc1)C2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D11 mock treatment 0.169 0.15737 0.8203 0.102 0.08173 0.4542 0.208 0.18562 1.0497 1.3419 0.9534 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D12 mock treatment 0.063 0.051374 0.2678 0.022 0.00173 0.0096 0.061 0.03862 0.2184 0.2862 0.8281 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D13 compound treatment -0.052 -0.063626 -0.3316 0.045 0.02473 0.1374 0.038 0.01562 0.0883 -0.0611 -0.1653 3559167 ACon1_001675 COc1cc(/C=C/CO)cc2[C@@H](CO)[C@H](Oc21)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D14 compound treatment -0.034 -0.045626 -0.2378 -0.069 -0.08927 -0.4961 -0.172 -0.19438 -1.0993 -1.0584 -0.861 3615378 ACon1_001676 CCCCCCc1cc(O)c(C)c(OC(=O)C)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D15 mock treatment -0.085 -0.096626 -0.5036 -0.03 -0.05027 -0.2794 0.268 0.24562 1.389 0.3499 0.2327 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D16 mock treatment 0.123 0.11137 0.5805 -0.029 -0.04927 -0.2738 0.02 -0.0023798 -0.0135 0.1693 0.2637 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D17 compound treatment 0.159 0.14737 0.7682 0.062 0.04173 0.2319 0.06 0.03762 0.2127 0.7002 0.8435 3615380 ACon1_001677 COc1cc(oc(=O)c1C)C(C)CC(C)(O)CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D18 compound treatment 0.3 0.28837 1.5031 0.358 0.33773 1.8768 0.288 0.26562 1.5021 2.8186 0.9942 3615382 ACon1_001678 COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D19 compound treatment 0.075 0.063374 0.3303 0.058 0.03773 0.2097 0.199 0.17662 0.9988 0.8884 0.8282 3559250 ACon1_001679 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D20 compound treatment 0.022 0.010374 0.0541 -0.051 -0.07127 -0.3961 0.098 0.07562 0.4276 0.0495 0.0845 3615386 ACon1_001680 COc1ccc(/C=C/c2cc(OC)cc(O)c2CC=C(C)C)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D21 compound treatment 0.029 0.017374 0.0906 0.056 0.03573 0.1986 -0.051 -0.07338 -0.415 -0.0727 -0.155 3615390 ACon1_001681 CC/C=C\CC/1C(=O)C=C\C1=C\CCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D22 compound treatment 0.221 0.20937 1.0913 0.14 0.11973 0.6654 0.084 0.06162 0.3485 1.2154 0.9174 3615393 ACon1_001682 CC1C2C(O)C(=O)C3(C)C(CCC4/C(=C(\CCC=C(C)C)/C(=O)O)/C(CC43C)OC(=O)C)C2(C)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D23 compound treatment 0.324 0.31237 1.6282 0.158 0.13773 0.7654 0.192 0.16962 0.9592 1.9357 0.9494 3559227 ACon1_001683 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(COC(=O)c4ccc(O)c(OC)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 D24 compound treatment 0.012 3.7448E-4 0.002 0.039 0.01873 0.1041 0.153 0.13062 0.7387 0.4877 0.6538 3615396 ACon1_001684 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)C6[C@@H](OC)C32)[C@@H]61 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E01 mock treatment 0.102 0.090374 0.4711 0.007 -0.01327 -0.0737 -0.079 -0.10138 -0.5733 -0.1016 -0.1363 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E02 mock treatment -0.014 -0.025626 -0.1336 0.109 0.08873 0.4931 0.072 0.04962 0.2806 0.3696 0.6341 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E03 compound treatment 0.157 0.14537 0.7577 -0.001 -0.02127 -0.1182 0.042 0.01962 0.111 0.4333 0.5592 3557617 ACon1_001685 CC1CC[C@H](OC(=O)c2ccoc2)[C@@]3(C)[C@H](C[C@@H]4C[C@]13OC4(C)C)OC(=O)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E04 compound treatment -0.044 -0.055626 -0.2899 0.082 0.06173 0.343 0.032 0.0096202 0.0544 0.0621 0.1372 3615401 ACon1_001686 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E05 compound treatment -0.025 -0.036626 -0.1909 0.018 -0.00227 -0.0126 0.006 -0.01638 -0.0926 -0.171 -0.8044 3557658 ACon1_001687 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E06 compound treatment -0.016 -0.027626 -0.144 -0.063 -0.08327 -0.4627 0.08 0.05762 0.3259 -0.1622 -0.2777 3615406 ACon1_001688 CO[C@@H]1[C@@H](C)O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E07 compound treatment 0.194 0.18237 0.9506 -0.049 -0.06927 -0.3849 0.487 0.46462 2.6275 1.8436 0.6536 3552666 ACon1_001689 C[C@@H]1C[C@H]2OCC3=CCC[C@@H]([C@@]23CO)[C@]1(CC(O)c4ccoc4)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E08 compound treatment 0.115 0.10337 0.5388 0.013 -0.00727 -0.0404 0.199 0.17662 0.9988 0.8644 0.7612 3615410 ACon1_001690 COC1OC(O)C(O)C21CC[C@@]3(O2)[C@H](C)C[C@H]4OC(=O)[C@@]5(C)CCC[C@]3(C)C45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E09 mock treatment 0.011 -6.2552E-4 -0.0033 0.073 0.05273 0.293 0.226 0.20362 1.1515 0.8321 0.7003 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E10 mock treatment -0.018 -0.029626 -0.1544 0.0 -0.02027 -0.1126 -0.018 -0.04038 -0.2284 -0.286 -0.9605 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E11 compound treatment 0.044 0.032374 0.1687 0.014 -0.00627 -0.0348 0.075 0.05262 0.2976 0.2491 0.7245 3615414 ACon1_001691 CC(C)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E12 compound treatment -0.024 -0.035626 -0.1857 -0.024 -0.04427 -0.246 0.053 0.03062 0.1732 -0.1493 -0.4222 3615416 ACon1_001692 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)CC[C@@]31O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E13 compound treatment 0.1 0.088374 0.4606 -0.027 -0.04727 -0.2627 0.047 0.02462 0.1392 0.1947 0.3551 905 ACon1_001693 CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E14 compound treatment 0.095 0.083374 0.4346 0.007 -0.01327 -0.0737 0.158 0.13562 0.767 0.6511 0.7361 3615420 ACon1_001694 CC1CCC2(C)C(CC(O)C(O)C2(O)CO)C1(C)CCc3ccoc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E15 compound treatment 0.09 0.078374 0.4085 0.006 -0.01427 -0.0793 0.068 0.04562 0.258 0.339 0.6924 3615422 ACon1_001695 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c4c(=O)cc(oc34)c5ccccc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E16 compound treatment -0.045 -0.056626 -0.2951 0.053 0.03273 0.1819 0.019 -0.0033798 -0.0191 -0.0764 -0.2201 3615425 ACon1_001696 CCCCCC[C@H](O)/C=C/CC1=C(O)CC[C@H](O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E17 mock treatment 0.037 0.025374 0.1323 -0.033 -0.05327 -0.296 -0.114 -0.13638 -0.7713 -0.5398 -0.6452 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E18 mock treatment -0.029 -0.040626 -0.2117 0.025 0.00473 0.0263 0.182 0.15962 0.9027 0.4141 0.4464 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E19 compound treatment 0.405 0.39337 2.0504 -0.074 -0.09427 -0.5239 0.108 0.08562 0.4842 1.1609 0.5347 3558102 ACon1_001697 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E20 compound treatment 0.226 0.21437 1.1174 -0.18 -0.20027 -1.1129 0.082 0.05962 0.3372 0.1972 0.1223 3558556 ACon1_001698 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E21 compound treatment 0.056 0.044374 0.2313 0.049 0.02873 0.1597 0.011 -0.01138 -0.0644 0.1886 0.654 3615429 ACon1_001699 OC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E22 compound treatment 0.061 0.049374 0.2574 -0.035 -0.05527 -0.3071 -0.006 -0.02838 -0.1605 -0.1214 -0.2813 3559178 ACon1_001700 CC1(CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)OC(=O)/C=C/c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E23 compound treatment 0.095 0.083374 0.4346 0.006 -0.01427 -0.0793 -0.019 -0.04138 -0.234 0.07 0.14 3615432 ACon1_001701 CC(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 E24 compound treatment -0.028 -0.039626 -0.2065 0.102 0.08173 0.4542 -0.007 -0.02938 -0.1661 0.0471 0.0895 3557371 ACon1_001702 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O)c2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F01 mock treatment 0.028 0.016374 0.0853 -0.09 -0.11027 -0.6128 -0.028 -0.05038 -0.2849 -0.469 -0.6886 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F02 mock treatment 0.02 0.0083745 0.0436 -0.068 -0.08827 -0.4905 0.007 -0.01538 -0.087 -0.3082 -0.6163 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F03 compound treatment 0.089 0.077374 0.4033 0.075 0.05473 0.3041 0.021 -0.0013798 -0.0078 0.4039 0.7996 3615435 ACon1_001703 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC(O)[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](O[C@@H]6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F04 compound treatment 0.102 0.090374 0.4711 0.027 0.00673 0.0374 0.192 0.16962 0.9592 0.8474 0.7924 3615438 ACon1_001704 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F05 compound treatment -0.019 -0.030626 -0.1596 -0.019 -0.03927 -0.2182 0.175 0.15262 0.8631 0.2802 0.3097 3615441 ACon1_001705 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(C)OC(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F06 compound treatment 0.145 0.13337 0.6952 0.121 0.10073 0.5598 0.148 0.12562 0.7104 1.1347 0.9947 3554104 ACon1_001706 CCC(C)(NC(=O)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)N)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F07 compound treatment 0.043 0.031374 0.1635 0.031 0.01073 0.0596 0.128 0.10562 0.5973 0.4737 0.7614 3615443 ACon1_001707 COc1cc(O)c2c(=O)oc(/C=C/C(=O)O)cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F08 compound treatment -0.012 -0.023626 -0.1231 0.012 -0.00827 -0.046 -0.025 -0.04738 -0.2679 -0.2523 -0.8455 3559796 ACon1_001708 CC(=O)OC1CCC2(C)C(CC[C@@H]3[C@@H]2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F09 mock treatment 0.241 0.22937 1.1956 0.263 0.24273 1.3489 0.018 -0.0043798 -0.0248 1.4547 0.807 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F10 mock treatment -0.054 -0.065626 -0.3421 -0.084 -0.10427 -0.5794 -0.132 -0.15438 -0.873 -1.0361 -0.94 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F11 compound treatment -0.019 -0.030626 -0.1596 0.006 -0.01427 -0.0793 0.125 0.10262 0.5803 0.1971 0.3247 3615449 ACon1_001709 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F12 compound treatment 0.038 0.026374 0.1375 0.205 0.18473 1.0266 0.0 -0.02238 -0.1266 0.599 0.5741 3557871 ACon1_001710 OC(=O)[C@]1(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4)OC(=O)/C=C/c5ccc(O)c(O)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F13 compound treatment 0.082 0.070374 0.3668 0.0 -0.02027 -0.1126 -0.035 -0.05738 -0.3245 -0.0406 -0.0808 3553379 ACon1_001711 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)C)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)c5cccnc5)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F14 compound treatment -0.068 -0.079626 -0.415 0.05 0.02973 0.1652 0.05 0.02762 0.1562 -0.054 -0.1142 3615454 ACon1_001712 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F15 compound treatment 0.162 0.15037 0.7838 -0.017 -0.03727 -0.2071 0.123 0.10062 0.569 0.6615 0.6678 3615457 ACon1_001713 CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F16 compound treatment 0.051 0.039374 0.2052 0.0 -0.02027 -0.1126 -0.019 -0.04138 -0.234 -0.0817 -0.2467 3615460 ACon1_001714 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(Oc5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F17 mock treatment -0.14 -0.15163 -0.7903 0.084 0.06373 0.3542 0.0 -0.02238 -0.1266 -0.3249 -0.3712 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F18 mock treatment 0.09 0.078374 0.4085 0.042 0.02173 0.1208 0.156 0.13362 0.7556 0.7418 0.8552 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F19 compound treatment 0.564 0.55237 2.8791 0.169 0.14873 0.8265 0.154 0.13162 0.7443 2.5692 0.8324 3559265 ACon1_001715 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@@H]5OC[C@@]6(C)C5[C@]1(C)[C@H](C[C@H]6OC(=O)C)OC(=O)/C(=C/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F20 compound treatment -0.03 -0.041626 -0.217 0.006 -0.01427 -0.0793 -0.012 -0.03438 -0.1944 -0.2833 -0.9383 3615464 ACon1_001716 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H](Cl)[C@@](O)(COC(=O)c4ccccc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F21 compound treatment 0.021 0.0093745 0.0489 -0.036 -0.05627 -0.3127 0.066 0.04362 0.2467 -0.0099 -0.0247 3615468 ACon1_001717 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F22 compound treatment -0.108 -0.11963 -0.6235 0.091 0.07073 0.3931 0.152 0.12962 0.733 0.2902 0.2791 3615471 ACon1_001718 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F23 compound treatment 0.702 0.69037 3.5984 0.855 0.83473 4.6387 0.681 0.65862 3.7246 6.9061 0.9933 3615473 ACon1_001719 CCCCCCCCC#CC#C/C=C/CCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 F24 compound treatment -0.033 -0.044626 -0.2326 -0.137 -0.15727 -0.874 -0.094 -0.11638 -0.6581 -1.0189 -0.9109 3615477 ACon1_001720 COc1cc(nc(/C=N/O)c1SC)c2ccccn2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G01 compound treatment -0.006 -0.017626 -0.0919 -0.114 -0.13427 -0.7462 -0.007 -0.02938 -0.1661 -0.5798 -0.753 3615480 ACon1_001721 C/C=C/C#CC#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G02 compound treatment -0.025 -0.036626 -0.1909 0.024 0.00373 0.0207 0.041 0.01862 0.1053 -0.0375 -0.171 3615484 ACon1_001722 CC1OC(Oc2ccc(cc2)c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G03 mock treatment -0.011 -0.022626 -0.1179 -0.224 -0.24427 -1.3574 -0.05 -0.07238 -0.4093 -1.0881 -0.7648 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G04 mock treatment 0.086 0.074374 0.3877 0.012 -0.00827 -0.046 0.012 -0.01038 -0.0587 0.1634 0.4139 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G05 compound treatment 0.213 0.20137 1.0496 0.07 0.04973 0.2764 0.232 0.20962 1.1854 1.45 0.9021 3552804 ACon1_001723 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G06 compound treatment 0.109 0.097374 0.5075 0.086 0.06573 0.3653 0.042 0.01962 0.111 0.568 0.8943 3615487 ACon1_001724 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)C1O)c4c(O)cc(O)c(C(=O)c5ccc(O)cc5)c4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G07 compound treatment 0.14 0.12837 0.6691 -0.018 -0.03827 -0.2127 0.185 0.16262 0.9196 0.7945 0.6867 3557601 ACon1_001725 CO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)C23)c4c(O)c(O)c(cc14)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G08 compound treatment -0.048 -0.059626 -0.3108 0.171 0.15073 0.8376 0.447 0.42462 2.4013 1.6906 0.6598 3615490 ACon1_001726 CC1(CO)CC[C@@]2(COC34C=CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(O)C7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)CC2O)C3C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G09 compound treatment 0.048 0.036374 0.1896 0.11 0.08973 0.4986 0.095 0.07262 0.4107 0.6345 0.9424 3559858 ACon1_001727 CCCCC[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G10 compound treatment 0.119 0.10737 0.5597 0.096 0.07573 0.4208 0.164 0.14162 0.8009 1.0285 0.9668 3615494 ACon1_001728 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H]4[C@@H]1[C@H](O)C[C@]4(C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G11 compound treatment 0.024 0.012374 0.0645 0.026 0.00573 0.0318 0.052 0.02962 0.1675 0.1523 0.8356 3557471 ACon1_001729 COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G12 compound treatment 0.434 0.42237 2.2015 0.358 0.33773 1.8768 0.418 0.39562 2.2373 3.6463 0.997 3615499 ACon1_001730 C[C@H]1CCc2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G13 compound treatment -0.069 -0.080626 -0.4202 0.095 0.07473 0.4153 0.152 0.12962 0.733 0.4204 0.4465 3615503 ACon1_001731 CCCCCCCCCCCCCCCC(=O)CCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G14 compound treatment 0.013 0.0013745 0.0072 -0.124 -0.14427 -0.8017 0.062 0.03962 0.2241 -0.3294 -0.3957 3557525 ACon1_001732 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G15 compound treatment -0.026 -0.037626 -0.1961 -0.05 -0.07027 -0.3905 0.083 0.06062 0.3428 -0.1408 -0.2534 3615506 ACon1_001733 Cc1ccc(c(O)c1)C(O)(CO)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G16 compound treatment 0.206 0.19437 1.0131 0.539 0.51873 2.8827 0.399 0.37662 2.1299 3.4789 0.934 3615508 ACon1_001734 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G17 compound treatment 0.041 0.029374 0.1531 0.238 0.21773 1.21 0.159 0.13662 0.7726 1.233 0.8541 3615509 ACon1_001735 COc1cccc2C(=O)c3c(C(O)c12)c(SCC(NC(=O)C)C(=O)O)cc4C(O)C(C)CC(=O)c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G18 compound treatment -0.132 -0.14363 -0.7486 0.017 -0.00327 -0.0182 0.199 0.17662 0.9988 0.134 0.1073 3615511 ACon1_001736 CCC(C)C(NC(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)CCC(NC(=O)C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G19 mock treatment -0.077 -0.088626 -0.4619 -0.057 -0.07727 -0.4294 -0.012 -0.03438 -0.1944 -0.6269 -0.9498 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G20 mock treatment -0.044 -0.055626 -0.2899 0.041 0.02073 0.1152 0.138 0.11562 0.6539 0.2766 0.3818 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G21 compound treatment 0.147 0.13537 0.7056 0.126 0.10573 0.5876 0.11 0.08762 0.4955 1.0327 0.9898 2106469 ACon1_001737 COc1ccc2ccc(=O)oc2c1C(O)C(O)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G22 compound treatment 0.086 0.074374 0.3877 0.247 0.22673 1.26 0.228 0.20562 1.1628 1.6226 0.9231 3615514 ACon1_001738 COC1=CC(=O)OC1C(O)C(O)C(OC(=O)C)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G23 compound treatment 0.107 0.095374 0.4971 0.27 0.24973 1.3878 0.117 0.09462 0.5351 1.3972 0.8909 3615516 ACon1_001739 C[C@@H]1O[C@@H](Oc2ccc(cc2O)C3Oc4cc(O)cc(O)c4C(=O)C3O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 G24 compound treatment 0.127 0.11537 0.6014 0.102 0.08173 0.4542 0.042 0.01962 0.111 0.6735 0.8841 3559198 ACon1_001740 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)O[C@@]91CCC(C)CO9 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H01 compound treatment 0.053 0.041374 0.2157 -0.019 -0.03927 -0.2182 0.06 0.03762 0.2127 0.1213 0.325 3615520 ACon1_001741 CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)C3CCC4CC3(CC4(O)CO)CC[C@H]12)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H02 compound treatment 0.05 0.038374 0.2 0.172 0.15173 0.8432 0.113 0.09062 0.5125 0.8982 0.8921 3615525 ACon1_001742 COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H03 mock treatment -0.226 -0.23763 -1.2386 0.057 0.03673 0.2041 0.101 0.07862 0.4446 -0.3405 -0.2557 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H04 mock treatment 0.064 0.052374 0.273 0.0 -0.02027 -0.1126 -0.211 -0.23338 -1.3198 -0.6694 -0.495 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H05 compound treatment 0.234 0.22237 1.1591 0.16 0.13973 0.7765 0.141 0.11862 0.6708 1.5048 0.9721 3615530 ACon1_001743 COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc5c(=O)oc1c2c53 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H06 compound treatment 0.171 0.15937 0.8307 0.073 0.05273 0.293 -0.102 -0.12438 -0.7034 0.2427 0.2153 3552916 ACon1_001744 C[C@H](/C=C/C=C(\C)/C(=O)N[C@H]1[C@@H](C)[C@@H](C)OC1=O)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)C5(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H07 compound treatment 0.006 -0.0056255 -0.0293 -0.164 -0.18427 -1.024 0.288 0.26562 1.5021 0.2591 0.1425 2060370 ACon1_001745 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H08 compound treatment 0.077 0.065374 0.3407 0.065 0.04473 0.2486 -0.012 -0.03438 -0.1944 0.228 0.4909 3559797 ACon1_001746 CO[C@H]1C[C@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CC(OC(=O)C)C45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H09 compound treatment -0.028 -0.039626 -0.2065 -0.075 -0.09527 -0.5294 -0.065 -0.08738 -0.4941 -0.7102 -0.9431 3615536 ACon1_001747 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]54C)[C@@]2(C)CO)C(OC7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)C(=O)O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H10 compound treatment 0.119 0.10737 0.5597 0.086 0.06573 0.3653 0.143 0.12062 0.6821 0.9278 0.9716 3559799 ACon1_001748 C[C@@H]1O[C@@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H11 compound treatment 0.118 0.10637 0.5544 0.302 0.28173 1.5656 0.119 0.09662 0.5464 1.5395 0.8805 3055308 ACon1_001749 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H12 compound treatment -0.02 -0.031626 -0.1648 0.139 0.11873 0.6598 -0.02 -0.04238 -0.2397 0.1474 0.2044 3615541 ACon1_001750 CCCC1=CC(=O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H13 compound treatment -0.013 -0.024626 -0.1284 0.006 -0.01427 -0.0793 0.02 -0.0023798 -0.0135 -0.1277 -0.8428 3558466 ACon1_001751 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H14 compound treatment 0.068 0.056374 0.2938 0.161 0.14073 0.7821 -0.053 -0.07538 -0.4263 0.3751 0.3999 3615544 ACon1_001752 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@]41CCC5(COC(O)C5)O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H15 compound treatment -0.185 -0.19663 -1.0249 0.012 -0.00827 -0.046 0.097 0.07462 0.422 -0.3746 -0.3377 3615548 ACon1_001753 COc1ccc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)c3cc(C)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H16 compound treatment 0.151 0.13937 0.7265 0.192 0.17173 0.9543 0.25 0.22762 1.2872 1.7136 0.974 3615551 ACon1_001754 COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc4-c2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H17 compound treatment 0.113 0.10137 0.5284 0.084 0.06373 0.3542 -0.148 -0.17038 -0.9635 -0.0468 -0.0405 3615554 ACon1_001755 CC1OC(OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)CC67)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H18 compound treatment 0.131 0.11937 0.6222 0.176 0.15573 0.8654 0.049 0.02662 0.1505 0.9458 0.8786 3615558 ACon1_001756 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)c(O)c7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H19 mock treatment -0.105 -0.11663 -0.6079 0.095 0.07473 0.4153 0.27 0.24762 1.4003 0.6973 0.4407 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H20 mock treatment 0.089 0.077374 0.4033 0.071 0.05073 0.2819 -0.09 -0.11238 -0.6355 0.0287 0.0357 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H21 compound treatment -0.021 -0.032626 -0.1701 0.005 -0.01527 -0.0849 -0.017 -0.03938 -0.2227 -0.2757 -0.9419 3615562 ACon1_001757 CC1CCC2C(C)(C=O)C(O)CCC2(C)C1CC/C(=C\C(=O)O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H22 compound treatment -0.379 -0.39063 -2.036 0.097 0.07673 0.4264 0.186 0.16362 0.9253 -0.3951 -0.1735 3558771 ACon1_001758 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H23 compound treatment -0.114 -0.12563 -0.6548 0.093 0.07273 0.4042 0.033 0.01062 0.0601 -0.11 -0.1425 3615567 ACon1_001759 COc1ccc2c3[C@H](OCC=C(C)C)[C@]4(O)N([C@H]5CC(C)(C)OO[C@H](C=C(C)C)n(c53)c2c1)C(=O)[C@@H]6CCCN6C4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 H24 compound treatment -0.06 -0.071626 -0.3733 0.036 0.01573 0.0874 0.019 -0.0033798 -0.0191 -0.1761 -0.4587 1055133 ACon1_001760 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I01 compound treatment 0.007 -0.0046255 -0.0241 0.074 0.05373 0.2986 0.096 0.07362 0.4163 0.3988 0.7776 3615574 ACon1_001761 CNC1CCC23CC34CCC5(C)C(C(C)N(C)C(=O)C)C(O)CC5(C)C4CCC2C1=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I02 compound treatment 0.172 0.16037 0.8359 -0.021 -0.04127 -0.2293 0.033 0.01062 0.0601 0.3849 0.443 3615576 ACon1_001762 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I03 compound treatment -0.038 -0.049626 -0.2587 -0.037 -0.05727 -0.3183 -0.014 -0.03638 -0.2057 -0.4519 -0.9848 3555361 ACon1_001763 COCC1C(=O)O[C@H]2C[C@@]3(C)OC(=O)/C(=C/C)/[C@]43CC[C@@](C)(O)CC(=O)[C@]12O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I04 compound treatment 0.156 0.14437 0.7525 0.032 0.01173 0.0652 -0.064 -0.08638 -0.4885 0.1901 0.2113 3615580 ACon1_001764 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I05 mock treatment -0.072 -0.083626 -0.4359 -0.019 -0.03927 -0.2182 -0.098 -0.12038 -0.6808 -0.7707 -0.9205 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I06 mock treatment -0.101 -0.11263 -0.587 -0.057 -0.07727 -0.4294 -0.011 -0.03338 -0.1888 -0.6958 -0.926 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I07 compound treatment -0.085 -0.096626 -0.5036 0.069 0.04873 0.2708 0.048 0.02562 0.1449 -0.0508 -0.0861 3615585 ACon1_001765 O[C@@H]1[C@@H](COC(=O)/C=C/c2ccc(O)cc2)O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I08 compound treatment 0.019 0.0073745 0.0384 -0.073 -0.09327 -0.5183 0.0 -0.02238 -0.1266 -0.3501 -0.6545 3615588 ACon1_001766 C[C@H]1[C@H](O)C=CC2=CC(=O)[C@@](O)(C[C@]12C)C(=C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I09 compound treatment 0.22 0.20837 1.0861 0.14 0.11973 0.6654 0.027 0.0046202 0.0261 1.0263 0.8056 3554244 ACon1_001767 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I10 compound treatment 1.37 1.3584 6.0184 0.945 0.92473 5.1389 1.225 1.2026 6.1406 9.9869 0.997 3615592 ACon1_001768 C[C@H]1CCc2ccncc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@]4(C)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I11 compound treatment 0.083 0.071374 0.372 0.086 0.06573 0.3653 -0.006 -0.02838 -0.1605 0.333 0.6105 3555007 ACon1_001769 COc1cc(OC)c2c(O)c3C(=O)CC(C)(O)Oc3cc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I12 compound treatment 0.036 0.024374 0.127 -0.007 -0.02727 -0.1515 0.065 0.04262 0.241 0.125 0.401 3615597 ACon1_001770 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I13 compound treatment 0.0 -0.011626 -0.0606 -0.09 -0.11027 -0.6128 0.021 -0.0013798 -0.0078 -0.3933 -0.6386 3615600 ACon1_001771 COc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I14 compound treatment 0.092 0.080374 0.4189 0.083 0.06273 0.3486 0.248 0.22562 1.2759 1.1798 0.8503 3615602 ACon1_001772 COc1cc(O)c-2c(CCc3cc(O)c(OC)cc32)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I15 compound treatment -0.093 -0.10463 -0.5453 -0.053 -0.07327 -0.4072 -0.019 -0.04138 -0.234 -0.685 -0.9519 3615604 ACon1_001773 O[C@@H]1[C@@H](Oc2c([C@H]3C[C@@H](Oc4cc(O)ccc34)c5ccc(O)c(O)c5)c(O)cc(O)c2C1=O)c6ccc(O)c(O)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I16 compound treatment -0.057 -0.068626 -0.3577 0.206 0.18573 1.0321 -0.006 -0.02838 -0.1605 0.2967 0.2688 3615608 ACon1_001774 CC1(C)C2CC[C@]3(C[C@H]4CC[C@H]3[C@@]52CC[C@@]1(O)OC5)CC4(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I17 compound treatment -0.079 -0.090626 -0.4724 0.053 0.03273 0.1819 -0.025 -0.04738 -0.2679 -0.3224 -0.5629 3615612 ACon1_001775 OC[C@H]1O[C@@H](Oc2ccc(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I18 compound treatment -0.049 -0.060626 -0.316 -0.052 -0.07227 -0.4016 0.024 0.0016202 0.0092 -0.409 -0.8003 3558031 ACon1_001776 COc1ccc(/C=C/C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I19 compound treatment -0.012 -0.023626 -0.1231 0.044 0.02373 0.1319 -0.027 -0.04938 -0.2793 -0.1562 -0.4698 3554120 ACon1_001777 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I20 compound treatment 0.113 0.10137 0.5284 -0.152 -0.17227 -0.9573 -0.006 -0.02838 -0.1605 -0.3403 -0.3079 3559162 ACon1_001778 Oc1ccc(cc1)[C@H]2[C@H]([C@@H]3[C@H](c4ccc(O)cc4)c5ccc(O)cc5OC3=O)C(=O)Oc6cc(O)ccc26 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I21 mock treatment 0.215 0.20337 1.06 0.076 0.05573 0.3097 0.133 0.11062 0.6256 1.152 0.9076 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I22 mock treatment 0.09 0.078374 0.4085 0.217 0.19673 1.0933 0.515 0.49262 2.7859 2.4755 0.8196 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I23 compound treatment 0.205 0.19337 1.0079 0.31 0.28973 1.6101 -0.082 -0.10438 -0.5903 1.1707 0.5885 3615618 ACon1_001779 COc1cc(CCC(=O)O)oc(=O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 I24 compound treatment 0.056 0.044374 0.2313 -0.129 -0.14927 -0.8295 -0.104 -0.12638 -0.7147 -0.758 -0.6773 3615620 ACon1_001780 CC(C)C(=C)CCC(C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(=O)C)[C@]12C)[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)C4CC3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J01 compound treatment -0.103 -0.11463 -0.5975 0.041 0.02073 0.1152 -0.048 -0.07038 -0.398 -0.5082 -0.699 3615624 ACon1_001781 CC(=CCc1c(O)ccc2cc(O)c(=O)oc12)COC3OC(CO)C(O)C(O)C3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J02 compound treatment -0.289 -0.30063 -1.5669 -0.014 -0.03427 -0.1904 0.098 0.07562 0.4276 -0.7677 -0.4694 3615625 ACon1_001782 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(OC9OCC(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J03 compound treatment -0.123 -0.13463 -0.7017 0.04 0.01973 0.1096 0.045 0.02262 0.1279 -0.268 -0.3713 3615627 ACon1_001783 CC1(CO)CC(O)[C@@]2(CCC34CC4(C=CC5[C@@]6(C)C[C@@H](O)[C@H](O)C(CO)(CO)C6CC[C@]53C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J04 compound treatment -0.006 -0.017626 -0.0919 0.043 0.02273 0.1263 0.061 0.03862 0.2184 0.146 0.5437 3558573 ACon1_001784 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J05 mock treatment -0.335 -0.34663 -1.8067 0.012 -0.00827 -0.046 0.061 0.03862 0.2184 -0.9435 -0.5183 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J06 mock treatment -0.14 -0.15163 -0.7903 0.114 0.09373 0.5209 -0.013 -0.03538 -0.2001 -0.2711 -0.2802 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J07 compound treatment -0.325 -0.33663 -1.7546 -0.012 -0.03227 -0.1793 -0.074 -0.09638 -0.545 -1.4312 -0.7753 3615632 ACon1_001785 COc1cc(O)cc(C)c1C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J08 compound treatment -0.162 -0.17363 -0.905 0.026 0.00573 0.0318 0.188 0.16562 0.9366 0.0366 0.0281 3559809 ACon1_001786 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC2CCC3(C)C(CC[C@@H]4[C@@H]3CCC5(C)C(C(O)CC45O)C6=CC(=O)OC6)C2)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J09 compound treatment 0.627 0.61537 3.2075 0.447 0.42673 2.3714 0.143 0.12062 0.6821 3.6148 0.8932 3557709 ACon1_001787 COc1cc(cc(OC)c1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J10 compound treatment -0.302 -0.31363 -1.6347 0.188 0.16773 0.9321 -0.025 -0.04738 -0.2679 -0.5603 -0.2948 3559803 ACon1_001788 CC12CC[C@H]3C(CCC4(O)CC(O)CCC34O)C2(O)CCC1C5=CC(=O)OC5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J11 compound treatment 0.255 0.24337 1.2685 0.22 0.19973 1.1099 0.195 0.17262 0.9762 1.9368 0.9943 3559166 ACon1_001789 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5ccc4c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J12 compound treatment -0.039 -0.050626 -0.2639 0.049 0.02873 0.1597 0.05 0.02762 0.1562 0.03 0.0868 3615637 ACon1_001790 O[C@@H]1CO[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J13 compound treatment -0.033 -0.044626 -0.2326 0.006 -0.01427 -0.0793 0.233 0.21062 1.1911 0.5076 0.4174 3557350 ACon1_001791 C[C@@H]1CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J14 compound treatment 0.0 -0.011626 -0.0606 -0.049 -0.06927 -0.3849 0.081 0.05862 0.3315 -0.0658 -0.1287 3615642 ACon1_001792 CC1(CCCC2(C)C3CCC(=C)C(C=C)C3CCC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J15 compound treatment -0.1 -0.11163 -0.5818 0.188 0.16773 0.9321 0.145 0.12262 0.6934 0.6026 0.4638 3615644 ACon1_001793 Cc1cc2c(CO)cc(SCC(O)C(=O)O)cc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J16 compound treatment -0.049 -0.060626 -0.316 0.089 0.06873 0.3819 -0.088 -0.11038 -0.6242 -0.3223 -0.4044 3615646 ACon1_001794 OCC1OC(Oc2c(O)cccc2COC(=O)C3(O)C=CCCC3=O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J17 compound treatment 0.842 0.83037 4.3281 -0.066 -0.08627 -0.4794 -0.048 -0.07038 -0.398 1.9923 0.4556 3615649 ACon1_001795 OC(CNC(=O)/C=C/c1ccc(O)cc1)c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J18 compound treatment 0.018 0.0063745 0.0332 0.121 0.10073 0.5598 0.193 0.17062 0.9649 0.8994 0.806 3615653 ACon1_001796 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)cc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J19 compound treatment -0.031 -0.042626 -0.2222 0.176 0.15573 0.8654 -0.082 -0.10438 -0.5903 0.0306 0.0286 3615657 ACon1_001797 COCC1OC(OC(C)(C)C(O)CCC2(C)C/C(=C/3\CCC4C3(C)CC(O)C5OC(CCC45C)C(C)(C)OC6OC(COC)C(O)C(O)C6NC(=O)C)/CCC2O)C(NC(=O)C)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J20 compound treatment 0.112 0.10037 0.5232 -0.114 -0.13427 -0.7462 0.101 0.07862 0.4446 0.128 0.1262 3615662 ACon1_001798 CC1OC(Oc2cc(O)c3c(=O)cc(oc3c2C4OC(CO)C(O)C(O)C4O)c5ccc(O)cc5)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J21 mock treatment 0.122 0.11037 0.5753 0.261 0.24073 1.3378 0.221 0.19862 1.1232 1.753 0.9532 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J22 mock treatment -0.075 -0.086626 -0.4515 -0.006 -0.02627 -0.146 -0.012 -0.03438 -0.1944 -0.4572 -0.8916 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J23 compound treatment 0.082 0.070374 0.3668 0.176 0.15573 0.8654 0.187 0.16462 0.931 1.2489 0.944 3615664 ACon1_001799 CC(C)CC1NC(=O)C(CC(C)C)N(O[C@@H]2O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 J24 compound treatment -0.028 -0.039626 -0.2065 0.024 0.00373 0.0207 -0.019 -0.04138 -0.234 -0.2424 -0.7749 3615667 ACon1_001800 COc1ccc2nccc(C(O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K01 compound treatment 0.047 0.035374 0.1844 -0.08 -0.10027 -0.5572 0.088 0.06562 0.3711 -0.001 -0.0014 3615669 ACon1_001801 CCN1CC2(COC)CCC(O)C3(C4CC5C(O)C4C(O)(CC5OC)C6C(OC)C32)C61 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K02 compound treatment 0.046 0.034374 0.1792 0.073 0.05273 0.293 0.154 0.13162 0.7443 0.7024 0.8568 3615671 ACon1_001802 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K03 compound treatment 0.019 0.0073745 0.0384 0.042 0.02173 0.1208 -0.095 -0.11738 -0.6638 -0.2913 -0.4311 3558951 ACon1_001803 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K04 compound treatment -0.121 -0.13263 -0.6913 0.323 0.30273 1.6823 0.325 0.30262 1.7114 1.5602 0.6248 3615676 ACon1_001804 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(CC=C)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K05 compound treatment 0.181 0.16937 0.8828 0.141 0.12073 0.6709 0.169 0.14662 0.8292 1.3758 0.9936 3555002 ACon1_001805 COc1cc(oc(=O)c1)[C@H](Cc2ccccc2)NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K06 compound treatment -0.19 -0.20163 -1.0509 -0.059 -0.07927 -0.4405 0.176 0.15362 0.8688 -0.3595 -0.2509 3615680 ACon1_001806 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K07 mock treatment 0.019 0.0073745 0.0384 0.082 0.06173 0.343 -0.039 -0.06138 -0.3471 0.0198 0.0405 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K08 mock treatment 0.124 0.11237 0.5857 -0.054 -0.07427 -0.4127 -0.122 -0.14438 -0.8165 -0.3715 -0.342 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K09 compound treatment 0.084 0.072374 0.3772 -0.071 -0.09127 -0.5072 0.049 0.02662 0.1505 0.0119 0.0183 3553885 ACon1_001807 CC1(CC(=O)O)CCC2(O1)C(=CCC3C(C)(C)C(O)CCC32C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K10 compound treatment 0.237 0.22537 1.1747 0.237 0.21673 1.2044 0.213 0.19062 1.078 1.996 0.9989 3615685 ACon1_001808 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C\c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K11 compound treatment 0.281 0.26937 1.404 0.282 0.26173 1.4545 0.018 -0.0043798 -0.0248 1.6361 0.8092 3558491 ACon1_001809 COc1cc(ccc1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K12 compound treatment 0.075 0.063374 0.3303 0.152 0.13173 0.732 0.108 0.08562 0.4842 0.8929 0.9521 3615689 ACon1_001810 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K13 compound treatment 0.013 0.0013745 0.0072 0.014 -0.00627 -0.0348 0.175 0.15262 0.8631 0.4823 0.5584 3557476 ACon1_001811 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c4oc(cc(=O)c4c2O)c5ccc(O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K14 compound treatment -0.087 -0.098626 -0.5141 -0.068 -0.08827 -0.4905 -0.052 -0.07438 -0.4206 -0.8229 -0.9965 3615693 ACon1_001812 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K15 mock treatment 0.025 0.013374 0.0697 0.033 0.01273 0.0707 0.106 0.08362 0.4729 0.3541 0.7328 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K16 mock treatment -0.042 -0.053626 -0.2795 0.048 0.02773 0.1541 0.128 0.10562 0.5973 0.2724 0.4023 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K17 compound treatment 0.179 0.16737 0.8724 0.429 0.40873 2.2714 0.292 0.26962 1.5248 2.6954 0.9387 3615697 ACon1_001813 CC(=CCc1cc(CC(N)C(=O)O)ccc1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K18 compound treatment -0.073 -0.084626 -0.4411 0.018 -0.00227 -0.0126 0.25 0.22762 1.2872 0.4812 0.3537 3615699 ACon1_001814 Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K19 compound treatment 0.031 0.019374 0.101 0.384 0.36373 2.0213 0.034 0.01162 0.0657 1.2632 0.6239 1012497 ACon1_001815 NC(Cc1c[nH]c2ccccc12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K20 compound treatment -0.093 -0.10463 -0.5453 -0.017 -0.03727 -0.2071 -0.039 -0.06138 -0.3471 -0.6348 -0.9352 3558198 ACon1_001816 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K21 compound treatment -0.128 -0.13963 -0.7278 0.095 0.07473 0.4153 0.204 0.18162 1.0271 0.4126 0.3113 3615703 ACon1_001817 COC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)c(O)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K22 compound treatment 1.094 1.0824 5.3985 -0.038 -0.05827 -0.3238 0.071 0.04862 0.275 3.0886 0.5704 3615705 ACon1_001818 C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K23 mock treatment -0.025 -0.036626 -0.1909 0.114 0.09373 0.5209 0.103 0.08062 0.4559 0.4537 0.6319 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 K24 mock treatment -0.046 -0.057626 -0.3004 0.1 0.07973 0.4431 0.129 0.10662 0.603 0.4305 0.534 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L01 compound treatment 0.034 0.022374 0.1166 0.032 0.01173 0.0652 0.045 0.02262 0.1279 0.1788 0.9668 3557532 ACon1_001819 C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](C[C@@]1(C)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L02 compound treatment -0.054 -0.065626 -0.3421 -0.031 -0.05127 -0.2849 -0.032 -0.05438 -0.3075 -0.5395 -0.9972 3615710 ACon1_001820 COc1c(O)c2c(=O)c(O)c(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L03 compound treatment -0.006 -0.017626 -0.0919 -0.051 -0.07127 -0.3961 -0.025 -0.04738 -0.2679 -0.4364 -0.8962 3615714 ACon1_001821 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc3ccccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L04 compound treatment 0.081 0.069374 0.3616 -0.031 -0.05127 -0.2849 -0.012 -0.03438 -0.1944 -0.068 -0.136 3615716 ACon1_001822 C[C@@]1([C@H](O)CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@@H]3CC[C@@]12O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L05 compound treatment -0.012 -0.023626 -0.1231 0.074 0.05373 0.2986 0.018 -0.0043798 -0.0248 0.087 0.2686 3615720 ACon1_001823 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L06 compound treatment 0.105 0.093374 0.4867 0.048 0.02773 0.1541 0.09 0.06762 0.3824 0.5907 0.9262 3557431 ACon1_001824 CC(C)CCCCCCCCC/C=C/C(=O)NC1C(O)C(O)C(CC(O)C2OC(C(O)C2O)n3ccc(=O)[nH]c3=O)OC1OC4OC(CO)C(O)C(O)C4NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L07 mock treatment 0.139 0.12737 0.6639 0.174 0.15373 0.8543 0.13 0.10762 0.6086 1.2279 0.9892 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L08 mock treatment -0.286 -0.29763 -1.5513 -0.087 -0.10727 -0.5961 -0.093 -0.11538 -0.6525 -1.6165 -0.9054 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L09 compound treatment 2.512 2.5004 7.6188 -0.071 -0.09127 -0.5072 -0.069 -0.09138 -0.5168 3.8076 0.4975 3615722 ACon1_001825 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(=O)C)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L10 compound treatment 0.335 0.32337 1.6855 0.171 0.15073 0.8376 0.28 0.25762 1.4569 2.2979 0.9654 3559811 ACon1_001826 C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)OC4CC(O)C5(C)C(CC[C@@H]6[C@@H]5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L11 compound treatment 0.15 0.13837 0.7212 0.151 0.13073 0.7265 0.237 0.21462 1.2137 1.5366 0.9678 3615725 ACon1_001827 COC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L12 compound treatment -0.056 -0.067626 -0.3525 0.183 0.16273 0.9043 0.013 -0.0093798 -0.053 0.288 0.2963 3615727 ACon1_001828 Cc1cc2C(=O)OC(c2c(O)c1)c3c(O)cccc3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L13 compound treatment 0.02 0.0083745 0.0436 0.214 0.19373 1.0766 0.224 0.20162 1.1402 1.3051 0.8319 3557341 ACon1_001829 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)O[C@@]91CC[C@@](C)(CO)O9 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L14 compound treatment -0.186 -0.19763 -1.0301 0.093 0.07273 0.4042 0.132 0.10962 0.6199 -0.0035 -0.0027 3615729 ACon1_001830 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OCC(OC5C(O)C(O[C@H]6CC[C@]7(C)C8CC(OC(=O)c9ccccc9)[C@]%10(C)[C@@](O)(CC[C@]%10(O)[C@]8(O)CC=C7C6)C(=O)C)OC(CO)C5OC%11OC(CO)C(O)C(O)C%11O)C4OC)OC(C)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L15 mock treatment -0.553 -0.56463 -2.943 0.126 0.10573 0.5876 0.057 0.03462 0.1958 -1.2469 -0.4146 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L16 mock treatment -0.081 -0.092626 -0.4828 5.226 5.2057 9.8206 0.541 0.51862 2.9329 7.0845 0.6905 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L17 compound treatment 0.079 0.067374 0.3512 0.05 0.02973 0.1652 0.079 0.05662 0.3202 0.483 0.96 3559248 ACon1_001831 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L18 compound treatment -0.058 -0.069626 -0.3629 0.165 0.14473 0.8043 0.182 0.15962 0.9027 0.776 0.6147 3615734 ACon1_001832 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)c6cc(O)c(O)c(O)c6)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L19 compound treatment 0.172 0.16037 0.8359 0.295 0.27473 1.5267 0.327 0.30462 1.7227 2.3587 0.9631 3615738 ACon1_001833 C/C(=C\CC(C)(C)CCC(=O)c1ccoc1)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L20 compound treatment -0.112 -0.12363 -0.6444 -0.047 -0.06727 -0.3738 0.151 0.12862 0.7274 -0.1679 -0.1613 3615742 ACon1_001834 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L21 compound treatment -0.126 -0.13763 -0.7173 0.038 0.01773 0.0985 0.15 0.12762 0.7217 0.0594 0.0581 3559153 ACon1_001835 CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L22 compound treatment -0.096 -0.10763 -0.561 0.386 0.36573 2.0324 0.552 0.52962 2.9951 2.5788 0.704 3615746 ACon1_001836 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L23 mock treatment 0.043 0.031374 0.1635 0.084 0.06373 0.3542 0.02 -0.0023798 -0.0135 0.2911 0.7458 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 L24 mock treatment 0.437 0.42537 2.2172 0.042 0.02173 0.1208 0.019 -0.0033798 -0.0191 1.3388 0.6029 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M01 compound treatment 0.081 0.069374 0.3616 -0.082 -0.10227 -0.5683 0.102 0.07962 0.4503 0.1406 0.1735 3615749 ACon1_001837 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)N4C\C5=C\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M02 compound treatment 0.062 0.050374 0.2626 0.117 0.09673 0.5375 -0.03 -0.05238 -0.2962 0.2909 0.4358 3615752 ACon1_001838 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M03 compound treatment 0.021 0.0093745 0.0489 0.063 0.04273 0.2375 0.212 0.18962 1.0723 0.7844 0.7135 3557747 ACon1_001839 C/C(=C\C(=O)O)/CCC1C(C)(O)CCC2C(C)(CO)CCCC12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M04 compound treatment 0.056 0.044374 0.2313 -0.013 -0.03327 -0.1849 0.006 -0.01638 -0.0926 -0.0267 -0.086 3615755 ACon1_001840 CCC(C)CCC(O)C1CC(CO)OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M05 compound treatment -0.039 -0.050626 -0.2639 0.054 0.03373 0.1874 -0.091 -0.11338 -0.6412 -0.4143 -0.5768 3554765 ACon1_001841 COc1c(O)c2c(CCC3C(C)(C)[C@@H]4CC[C@@]32C(=O)O4)cc1C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M06 compound treatment -0.159 -0.17063 -0.8893 0.037 0.01673 0.093 0.092 0.06962 0.3937 -0.2325 -0.2379 3615758 ACon1_001842 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M07 compound treatment -0.159 -0.17063 -0.8893 -0.125 -0.14527 -0.8073 0.084 0.06162 0.3485 -0.7784 -0.6224 812 ACon1_001843 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M08 compound treatment 0.075 0.063374 0.3303 0.304 0.28373 1.5767 0.062 0.03962 0.2241 1.2304 0.7565 3615763 ACon1_001844 CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](C)O)[O-] 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M09 mock treatment 0.019 0.0073745 0.0384 -0.006 -0.02627 -0.146 0.156 0.13362 0.7556 0.3742 0.4856 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M10 mock treatment 0.294 0.28237 1.4718 0.205 0.18473 1.0266 0.189 0.16662 0.9423 1.9865 0.9801 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M11 compound treatment 0.265 0.25337 1.3206 0.398 0.37773 2.0991 0.13 0.10762 0.6086 2.3258 0.9108 3615766 ACon1_001845 CCC/C=C/C=C/C1CC(O)C(O)C1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M12 compound treatment 0.074 0.062374 0.3251 -0.088 -0.10827 -0.6017 0.007 -0.01538 -0.087 -0.2099 -0.3045 3615770 ACon1_001846 CC1CC(=O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M13 mock treatment -0.067 -0.078626 -0.4098 -0.105 -0.12527 -0.6961 -0.007 -0.02938 -0.1661 -0.7345 -0.8905 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M14 mock treatment -0.144 -0.15563 -0.8112 0.09 0.06973 0.3875 -0.132 -0.15438 -0.873 -0.7487 -0.5974 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M15 compound treatment -0.07 -0.081626 -0.4255 -0.006 -0.02627 -0.146 0.013 -0.0093798 -0.053 -0.3605 -0.796 3615774 ACon1_001847 OC1Cc2c(OC1c3ccc(O)c(O)c3)cc(O)c4C(CC(Oc24)c5ccc(O)c(O)c5)c6ccc(O)c(O)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M16 compound treatment 0.119 0.10737 0.5597 -0.055 -0.07527 -0.4183 0.086 0.06362 0.3598 0.2893 0.3682 3615776 ACon1_001848 COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M17 compound treatment -0.073 -0.084626 -0.4411 0.106 0.08573 0.4764 0.312 0.28962 1.6379 0.966 0.5483 3615778 ACon1_001849 COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M18 compound treatment -0.196 -0.20763 -1.0822 0.0 -0.02027 -0.1126 0.271 0.24862 1.406 0.1219 0.0686 3615780 ACon1_001850 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M19 compound treatment 0.178 0.16637 0.8672 0.036 0.01573 0.0874 0.017 -0.0053798 -0.0304 0.5336 0.6118 3615782 ACon1_001851 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)c5ccccc5NC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M20 compound treatment 0.048 0.036374 0.1896 0.055 0.03473 0.193 0.107 0.08462 0.4785 0.4972 0.9044 3615785 ACon1_001852 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M21 compound treatment 0.109 0.097374 0.5075 0.096 0.07573 0.4208 0.18 0.15762 0.8914 1.0506 0.9476 3615790 ACon1_001853 CC1C[C@]2(CC3C(C)(C)[C@@]4(C[C@]53CN2C1=O)C(=O)Nc6c4ccc7OC(C)(C)CC(=O)c67)C(=O)N5C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M22 compound treatment 0.013 0.0013745 0.0072 0.062 0.04173 0.2319 0.125 0.10262 0.5803 0.4731 0.7569 3557357 ACon1_001854 CC(C)[C@@H](OC(=O)C)c1nc2ccccc2c(=O)n1[C@@H]3C[C@]4(OC3=O)[C@H]5N(O)[C@@H](C)C(=O)N5c6ccccc64 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M23 compound treatment 0.019 0.0073745 0.0384 0.044 0.02373 0.1319 -0.086 -0.10838 -0.6129 -0.2555 -0.4068 3559013 ACon1_001855 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2c4c(O)cc(O)c5c(=O)cc(oc45)c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 M24 compound treatment 0.121 0.10937 0.5701 0.065 0.04473 0.2486 0.033 0.01062 0.0601 0.5073 0.812 3559205 ACon1_001856 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@@H](OC[C@H]23)c4cc(OC)c(OC)c(OC)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N01 compound treatment 0.045 0.033374 0.174 -0.12 -0.14027 -0.7795 0.0 -0.02238 -0.1266 -0.4227 -0.5227 3615795 ACon1_001857 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(C)O)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N02 compound treatment -0.173 -0.18463 -0.9623 0.014 -0.00627 -0.0348 -0.013 -0.03538 -0.2001 -0.6912 -0.7028 3615797 ACon1_001858 C[C@@H]1OC(=O)[C@]2(C(=C)[C@@]3(C)OC(=O)[C@@]12O)C4(C)CC[C@]5(C=CC(=O)OC5(C)C)C(=C4[C@H]3OC(=O)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N03 compound treatment -0.171 -0.18263 -0.9519 -0.027 -0.04727 -0.2627 0.17 0.14762 0.8348 -0.2193 -0.1696 3615800 ACon1_001859 C/C=C/C1C2OC3=C(C(=O)OC3(C)O)C(=O)C1(C)C4CC(O)C(C)CC4C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N04 compound treatment -0.066 -0.077626 -0.4046 -0.168 -0.18827 -1.0462 -0.071 -0.09338 -0.5281 -1.1425 -0.9215 3615805 ACon1_001860 COc1cc(ccc1O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc3ccc(/C=C/CO)cc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N05 compound treatment -0.089 -0.10063 -0.5245 0.071 0.05073 0.2819 0.017 -0.0053798 -0.0304 -0.1576 -0.2644 3615808 ACon1_001861 C/C(=C\Cc1c(O)ccc2ccc(=O)oc12)/CO[C@@H]3O[C@H](COC(=O)CC(=O)OC[C@H]4O[C@@H](OC(C)(C)C5Cc6cc7cc(O)c(=O)oc7cc6O5)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N06 compound treatment -0.042 -0.053626 -0.2795 0.142 0.12173 0.6765 0.109 0.08662 0.4899 0.512 0.5813 3557396 ACon1_001862 COC(=O)c1cc(C)cc(OC)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N07 compound treatment -0.073 -0.084626 -0.4411 0.142 0.12173 0.6765 0.131 0.10862 0.6143 0.4905 0.4835 3615812 ACon1_001863 COc1cc-2c(CCc3cc(O)c(O)cc32)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N08 compound treatment -0.378 -0.38963 -2.0308 -0.092 -0.11227 -0.6239 0.06 0.03762 0.2127 -1.4099 -0.6603 3557452 ACon1_001864 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N09 mock treatment 0.285 0.27337 1.4249 0.011 -0.00927 -0.0515 0.094 0.07162 0.405 1.0268 0.6927 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N10 mock treatment -0.325 -0.33663 -1.7546 -0.018 -0.03827 -0.2127 0.0 -0.02238 -0.1266 -1.2089 -0.6822 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N11 compound treatment 0.225 0.21337 1.1122 0.283 0.26273 1.46 0.19 0.16762 0.9479 2.0323 0.9838 3615814 ACon1_001865 CC1CC(=O)C2=C(CCC34OC42C(=O)c5cccc(O)c5C3O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N12 compound treatment 0.138 0.12637 0.6587 -0.078 -0.09827 -0.5461 -0.112 -0.13438 -0.7599 -0.3737 -0.3266 3554299 ACon1_001866 CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N13 mock treatment 0.0 -0.011626 -0.0606 -0.02 -0.04027 -0.2238 -0.093 -0.11538 -0.6525 -0.5409 -0.7811 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N14 mock treatment 1.118 1.1064 5.4582 0.034 0.01373 0.0763 -0.083 -0.10538 -0.5959 2.8513 0.5192 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N15 compound treatment -0.007 -0.018626 -0.0971 0.104 0.08373 0.4653 0.267 0.24462 1.3834 1.0113 0.6914 2121 ACon1_001867 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N16 compound treatment -0.056 -0.067626 -0.3525 -0.11 -0.13027 -0.7239 -0.212 -0.23438 -1.3255 -1.3867 -0.8942 3615816 ACon1_001868 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(OC(=O)C)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N17 compound treatment -0.056 -0.067626 -0.3525 0.047 0.02673 0.1485 -0.159 -0.18138 -1.0257 -0.71 -0.6485 3615822 ACon1_001869 CC12CC(OC(=O)C2CCC3(C)C1C4OC(=O)C3(O)C5OC54)c6ccoc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N18 compound treatment -0.053 -0.064626 -0.3368 0.116 0.09573 0.532 0.114 0.09162 0.5181 0.4118 0.505 3615824 ACon1_001870 C/C(=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O)/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N19 compound treatment -0.235 -0.24663 -1.2855 0.14 0.11973 0.6654 0.206 0.18362 1.0384 0.2415 0.1356 3615829 ACon1_001871 COCC1OC(OC(C)(C)C2CCC3(C)C4CC/C(=C\5/CCC(O)C(C)(CCC(O)C(C)(C)O)C5)/C4(C)CC(O)C3O2)C(NC(=O)C)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N20 compound treatment -0.018 -0.029626 -0.1544 0.213 0.19273 1.071 -0.064 -0.08638 -0.4885 0.2472 0.2082 3615833 ACon1_001872 CCCCCC1CC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N21 compound treatment 0.149 0.13737 0.716 0.176 0.15573 0.8654 0.026 0.0036202 0.0205 0.9249 0.8233 3554654 ACon1_001873 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](O)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N22 compound treatment -0.242 -0.25363 -1.322 0.13 0.10973 0.6098 0.128 0.10562 0.5973 -0.0663 -0.0421 3558591 ACon1_001874 CC(=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N23 compound treatment 0.22 0.20837 1.0861 0.215 0.19473 1.0821 0.105 0.08262 0.4672 1.5216 0.9493 3615837 ACon1_001875 C[C@@H]1CCC2C(C)(C)[C@@H](CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 N24 compound treatment 0.033 0.021374 0.1114 -0.069 -0.08927 -0.4961 0.039 0.01662 0.094 -0.1678 -0.3246 3615844 ACon1_001876 COC(=O)C12C(O)C34CC2N5C/C(=C/C)/C1CC5C4N(C)c6ccccc63 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O01 compound treatment 0.006 -0.0056255 -0.0293 0.062 0.04173 0.2319 0.142 0.11962 0.6765 0.5075 0.7091 3615850 ACon1_001877 COc1cc2CCNC3Cc4ccccc4-c(c1OC)c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O02 compound treatment -0.007 -0.018626 -0.0971 -0.035 -0.05527 -0.3071 0.158 0.13562 0.767 0.2094 0.2518 3615852 ACon1_001878 C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)C(O)C(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)[C@H](O)[C@H](O)[C@H]1OC9OCC(O)C(O)C9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O03 compound treatment 0.03 0.018374 0.0958 0.026 0.00573 0.0318 0.007 -0.01538 -0.087 0.0235 0.1761 3552644 ACon1_001879 C[C@@H]1C[C@]2(O[C@H](O)[C@@]3(C)O[C@H]32)O[C@H]4C[C@@]5(C)[C@@H]6CC[C@@H]7[C@]8(C[C@@]68C[C@@H](OC(=O)C)[C@]5(C)[C@H]41)CC[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C7(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O04 compound treatment -0.116 -0.12763 -0.6652 0.195 0.17473 0.971 0.019 -0.0033798 -0.0191 0.1655 0.1406 3615859 ACon1_001880 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O05 compound treatment 0.236 0.22437 1.1695 0.305 0.28473 1.5823 0.288 0.26562 1.5021 2.456 0.9922 3558011 ACon1_001881 CC(=O)OC[C@]1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3OC%10OCC(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)[C@@H](O)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O06 compound treatment 0.041 0.029374 0.1531 0.006 -0.01427 -0.0793 0.268 0.24562 1.389 0.8446 0.6034 3615865 ACon1_001882 CC1C2CC3(CC(O)C4C(C)(CCCC4(C)C3(O)CC2)C(=O)OC5OC(CO)C(O)C(O)C5O)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O07 compound treatment 0.093 0.081374 0.4241 0.237 0.21673 1.2044 0.047 0.02462 0.1392 1.0206 0.7946 3554487 ACon1_001883 CN1C(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O08 compound treatment -0.174 -0.18563 -0.9675 0.152 0.13173 0.732 0.189 0.16662 0.9423 0.4081 0.2656 3615867 ACon1_001884 CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc3ccoc3)[C@]4(CCC[C@@]5(C)C14)COC5=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O09 compound treatment -0.022 -0.033626 -0.1753 -0.071 -0.09127 -0.5072 0.141 0.11862 0.6708 -0.0067 -0.0078 3615872 ACon1_001885 COC(=O)c1cccc(OC(C)C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O10 compound treatment 0.085 0.073374 0.3824 0.843 0.82273 4.572 1.201 1.1786 6.0808 6.3713 0.8364 3615878 ACon1_001886 CC1C(C)c2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O11 mock treatment 0.112 0.10037 0.5232 -0.07 -0.09027 -0.5016 0.032 0.0096202 0.0544 0.0438 0.0603 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O12 mock treatment -0.005 -0.016626 -0.0867 -0.069 -0.08927 -0.4961 0.074 0.05162 0.2919 -0.1679 -0.2885 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O13 compound treatment 0.02 0.0083745 0.0436 -0.049 -0.06927 -0.3849 -0.037 -0.05938 -0.3358 -0.3909 -0.7625 3615884 ACon1_001887 CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O14 compound treatment -0.069 -0.080626 -0.4202 0.042 0.02173 0.1208 0.027 0.0046202 0.0261 -0.1578 -0.3603 3615887 ACon1_001888 CC(C)(O)C(O)Cc1cc(O)ccc1OC2OC(CO)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O15 compound treatment 0.019 0.0073745 0.0384 0.006 -0.01427 -0.0793 0.067 0.04462 0.2523 0.1221 0.4568 3558264 ACon1_001889 O[C@@H]1C[C@](C[C@@H](O)[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O16 compound treatment -0.006 -0.017626 -0.0919 0.194 0.17373 0.9654 0.235 0.21262 1.2024 1.1986 0.7759 3615891 ACon1_001890 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)C1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O17 compound treatment -0.019 -0.030626 -0.1596 0.281 0.26073 1.4489 0.21 0.18762 1.061 1.357 0.7526 3615895 ACon1_001891 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O18 compound treatment -0.107 -0.11863 -0.6183 0.012 -0.00827 -0.046 0.139 0.11662 0.6595 -0.0027 -0.003 3615900 ACon1_001892 COC(=O)c1cc2cc(O)c(c(O)c2c(=O)o1)c3c(O)cc4cc(oc(=O)c4c3O)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O19 compound treatment 0.267 0.25537 1.3311 0.219 0.19873 1.1044 0.506 0.48362 2.735 2.9851 0.9225 3615903 ACon1_001893 CC(=O)NC(CSC(CO)CCCCCCCCCC(=O)O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O20 compound treatment 0.203 0.19137 0.9975 -0.118 -0.13827 -0.7684 0.13 0.10762 0.6086 0.4837 0.3458 3559173 ACon1_001894 COc1cc(OC)c(cc1OC)C(O)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O21 compound treatment 0.229 0.21737 1.133 0.292 0.27173 1.51 0.079 0.05662 0.3202 1.7108 0.8935 3615908 ACon1_001895 Cn/1c(=O)\c(=C\c2ccccc2)\n(C)c(=O)\c1=C\c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O22 compound treatment 0.311 0.29937 1.5604 0.055 0.03473 0.193 0.078 0.05562 0.3145 1.1939 0.7446 3559164 ACon1_001896 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O23 compound treatment 0.051 0.039374 0.2052 0.092 0.07173 0.3986 -0.026 -0.04838 -0.2736 0.1907 0.363 3615916 ACon1_001897 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 O24 compound treatment 0.126 0.11437 0.5961 0.076 0.05573 0.3097 -0.006 -0.02838 -0.1605 0.4303 0.623 3557540 ACon1_001898 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P01 compound treatment -0.007 -0.018626 -0.0971 0.135 0.11473 0.6376 -0.02 -0.04238 -0.2397 0.1737 0.2524 3615923 ACon1_001899 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P02 compound treatment 0.065 0.053374 0.2782 0.018 -0.00227 -0.0126 0.034 0.01162 0.0657 0.1913 0.6685 3615928 ACon1_001900 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P03 compound treatment 0.0 -0.011626 -0.0606 0.007 -0.01327 -0.0737 0.233 0.21062 1.1911 0.6101 0.5106 3615934 ACon1_001901 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(=O)O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P04 compound treatment 0.12 0.10837 0.5649 0.021 7.2998E-4 0.0041 0.083 0.06062 0.3428 0.5264 0.7966 3615941 ACon1_001902 CCC(C)CCCCCCCCC1CC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P05 compound treatment 0.064 0.052374 0.273 0.08 0.05973 0.3319 0.091 0.06862 0.3881 0.5733 0.9901 3615944 ACon1_001903 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C(OC)C8O)C(C)O7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P06 compound treatment 0.051 0.039374 0.2052 0.09 0.06973 0.3875 -0.035 -0.05738 -0.3245 0.1549 0.2839 3553131 ACon1_001904 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(cn(O)c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P07 compound treatment -0.102 -0.11363 -0.5922 0.121 0.10073 0.5598 0.025 0.0026202 0.0148 -0.0102 -0.0125 3615949 ACon1_001905 COC1OC(OC)C(O)(CC[C@@]2(O)[C@H](C)C[C@@H](O)C3[C@@](C)(CO)CCC[C@]32C)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P08 compound treatment -0.02 -0.031626 -0.1648 -0.095 -0.11527 -0.6406 -0.075 -0.09738 -0.5507 -0.783 -0.9097 3557451 ACon1_001906 C[C@@]12C[C@H](O)C3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P09 compound treatment 0.039 0.027374 0.1427 0.123 0.10273 0.5709 0.012 -0.01038 -0.0587 0.3781 0.6393 3615955 ACon1_001907 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P10 compound treatment 0.543 0.53137 2.7696 0.718 0.69773 3.8774 1.371 1.3486 6.4803 7.5791 0.9422 3559822 ACon1_001908 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C)C(=O)OC7OC(CO)C(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(OC%10OCC(O)C(O)C%10O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC%11OCC(O)C(O)C%11O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P11 mock treatment 0.078 0.066374 0.346 0.087 0.06673 0.3708 -0.015 -0.03738 -0.2114 0.2918 0.5311 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P12 mock treatment -0.054 -0.065626 -0.3421 0.024 0.00373 0.0207 0.0 -0.02238 -0.1266 -0.2586 -0.7079 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P13 compound treatment -0.061 -0.072626 -0.3785 0.163 0.14273 0.7932 0.127 0.10462 0.5916 0.581 0.5484 3615961 ACon1_001909 COc1ccc(cc1O)C(C)C(=O)c2ccc(O)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P14 compound treatment 0.025 0.013374 0.0697 0.149 0.12873 0.7154 0.101 0.07862 0.4446 0.71 0.84 3615963 ACon1_001910 OCC(=C)C(=O)O[C@H]1C[C@]23O[C@@H]3CC/C(=C/[C@H]4OC(=O)C(=C)[C@@H]41)/CO[C@@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P15 compound treatment 0.431 0.41937 2.1859 0.19 0.16973 0.9432 0.06 0.03762 0.2127 1.9294 0.8072 3559257 ACon1_001911 OC1(OCC2C(OCC21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P16 compound treatment -0.101 -0.11263 -0.587 -0.009 -0.02927 -0.1627 0.056 0.03362 0.1901 -0.3231 -0.5063 3615970 ACon1_001912 CC1(C)C(CCC2(C)C3CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C=C)C=C3CCC12)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P17 compound treatment 0.056 0.044374 0.2313 -0.107 -0.12727 -0.7073 0.128 0.10562 0.5973 0.0701 0.0734 2116652 ACon1_001913 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)cc2)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P18 compound treatment 0.017 0.0053745 0.028 0.051 0.03073 0.1708 0.042 0.01962 0.111 0.1788 0.8699 3615976 ACon1_001914 CC1OC(CC(O)C1O)c2cc3oc(cc(=O)c3c(O)c2O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P19 compound treatment 0.045 0.033374 0.174 0.244 0.22373 1.2433 0.08 0.05762 0.3259 1.0064 0.7759 3615980 ACon1_001915 CCC(C)C(OC1OC(C)C(O)C(O)C1O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C(O)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P20 compound treatment 0.082 0.070374 0.3668 0.006 -0.01427 -0.0793 0.099 0.07662 0.4333 0.4162 0.726 3615986 ACon1_001916 C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(C(O)C[C@]76C)C(=O)OC9OCC(O)C(O)C9O)C4(C)C)O[C@@H]3COC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P21 compound treatment -0.086 -0.097626 -0.5088 -0.043 -0.06327 -0.3516 -0.031 -0.05338 -0.3019 -0.6711 -0.975 3615991 ACon1_001917 C/C=C/c1ccc(O)cc1C(=O)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P22 compound treatment 1.22 1.2084 5.699 0.585 0.56473 3.1383 0.827 0.80462 4.5503 7.7293 0.9736 3615996 ACon1_001918 CC1=C2CC(CCC2(C)CCC1=O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P23 compound treatment 1.161 1.1494 5.5623 1.293 1.2727 6.2048 1.329 1.3066 6.3866 10.481 0.9983 3559104 ACon1_001919 COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2295 P24 compound treatment -0.418 -0.42963 -2.2393 0.126 0.10573 0.5876 0.113 0.09062 0.5125 -0.6578 -0.2774 3558533 ACon1_001920 OC[C@H]1O[C@@H](OC2OC=C3[C@@H](C[C@H]4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A01 compound treatment 0.0 -0.011626 -0.0606 0.094 0.07373 0.4097 0.077 0.05462 0.3089 0.3799 0.7353 3616000 ACon1_001921 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5cc(OC)ccc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A02 compound treatment 0.571 0.55937 2.9156 0.537 0.51673 2.8716 0.466 0.44362 2.5088 4.7896 0.9978 3616002 ACon1_001922 C/C(=C\CC(C)(C)\C=C\Cc1ccoc1)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A03 compound treatment -0.152 -0.16363 -0.8529 0.032 0.01173 0.0652 0.0 -0.02238 -0.1266 -0.5278 -0.6105 3553562 ACon1_001923 CC(C)C1C(O)C2C(CCC(=O)C)C2(C)CC1OC(=O)/C=C/c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A04 compound treatment 0.112 0.10037 0.5232 -0.082 -0.10227 -0.5683 0.182 0.15962 0.9027 0.4951 0.4167 3616008 ACon1_001924 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CO)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A05 compound treatment 0.116 0.10437 0.544 0.224 0.20373 1.1322 0.37 0.34762 1.9659 2.1027 0.9013 3554100 ACon1_001925 CCC(=O)OC1C(C)CC2(OC(=O)C)C1C(OC(=O)C)C3(CO3)CCC4C(/C=C(\C)/C2=O)C4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A06 compound treatment -0.136 -0.14763 -0.7695 0.053 0.03273 0.1819 0.192 0.16962 0.9592 0.2146 0.1726 3616012 ACon1_001926 COc1c(C2OCC(O)C(O)C2O)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(C)C(O)C(O)C5O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A07 compound treatment 1.494 1.4824 6.2558 1.739 1.7187 7.0726 1.155 1.1326 5.9628 11.1378 0.9973 3616015 ACon1_001927 CCC/C=C/C(=O)O[C@H]1CC(C)(C)CC2[C@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(=O)O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)C[C@@H](OC(=O)C)[C@]21[C@H](O)O3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A08 compound treatment 0.076 0.064374 0.3355 -0.086 -0.10627 -0.5906 0.232 0.20962 1.1854 0.5372 0.3932 3616020 ACon1_001928 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)cc7)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A09 compound treatment 0.171 0.15937 0.8307 0.006 -0.01427 -0.0793 0.191 0.16862 0.9536 0.9844 0.7768 3616025 ACon1_001929 CC1CC(=O)C2C34OC4(C(O)CC2(O)C1)C(O)c5c(O)cccc5C3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A10 compound treatment -0.081 -0.092626 -0.4828 0.082 0.06173 0.343 0.146 0.12362 0.6991 0.3229 0.3525 3558789 ACon1_001930 OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(CO)OC3Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A11 compound treatment 0.116 0.10437 0.544 0.106 0.08573 0.4764 -0.019 -0.04138 -0.234 0.454 0.5974 3616030 ACon1_001931 OCC1OC(C(O)C(O)C1OC2OCC(O)(CO)C2O)c3c(O)cc4OC(C(C(=O)c4c3O)c5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)c8ccc(O)cc8 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A12 compound treatment 0.152 0.14037 0.7317 0.172 0.15173 0.8432 0.197 0.17462 0.9875 1.4794 0.9926 3616033 ACon1_001932 OCC1OC(C(O)C(O)C1O)c2c(O)cc3occc(=O)c3c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A13 mock treatment -0.034 -0.045626 -0.2378 0.022 0.00173 0.0096 -0.02 -0.04238 -0.2397 -0.2701 -0.7997 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A14 mock treatment 0.007 -0.0046255 -0.0241 0.017 -0.00327 -0.0182 -0.078 -0.10038 -0.5677 -0.3522 -0.6195 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A15 compound treatment 0.007 -0.0046255 -0.0241 -0.013 -0.03327 -0.1849 0.128 0.10562 0.5973 0.2242 0.3583 3616036 ACon1_001933 OC[C@H]1O[C@@H](Oc2ccc3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A16 compound treatment 0.025 0.013374 0.0697 -0.026 -0.04627 -0.2571 0.185 0.16262 0.9196 0.4228 0.4415 3616041 ACon1_001934 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A17 compound treatment 0.352 0.34037 1.7741 0.117 0.09673 0.5375 0.08 0.05762 0.3259 1.5228 0.809 3616047 ACon1_001935 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A18 compound treatment -0.097 -0.10863 -0.5662 -0.012 -0.03227 -0.1793 0.166 0.14362 0.8122 0.0385 0.0383 3552637 ACon1_001936 C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C\C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A19 compound treatment 0.128 0.11637 0.6066 0.569 0.54873 3.0494 0.419 0.39662 2.243 3.4057 0.8884 3616054 ACon1_001937 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A20 compound treatment -0.078 -0.089626 -0.4671 0.062 0.04173 0.2319 0.128 0.10562 0.5973 0.209 0.2636 3559850 ACon1_001938 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A21 compound treatment 0.006 -0.0056255 -0.0293 -0.076 -0.09627 -0.535 0.204 0.18162 1.0271 0.2672 0.2306 599 ACon1_001939 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A22 compound treatment 0.084 0.072374 0.3772 0.129 0.10873 0.6042 0.073 0.05062 0.2863 0.7319 0.9534 3554279 ACon1_001940 CCCCCCC(C(=O)O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A23 compound treatment 0.079 0.067374 0.3512 0.081 0.06073 0.3375 0.155 0.13262 0.75 0.8306 0.9288 3616064 ACon1_001941 COc1cc(oc(=O)c1C)/C(=C/C(C)(O)C(C)O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 A24 compound treatment 0.192 0.18037 0.9402 -0.007 -0.02727 -0.1515 0.107 0.08462 0.4785 0.7316 0.6864 1099693 ACon1_001942 CC(C)(O)C(O)COc1c2occc2cc3ccc(=O)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B01 compound treatment 0.014 0.0023745 0.0124 0.096 0.07573 0.4208 0.07 0.04762 0.2693 0.4056 0.8115 3498385 ACon1_001943 COC(=O)C1C(O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B02 compound treatment -0.211 -0.22263 -1.1604 0.042 0.02173 0.1208 0.064 0.04162 0.2354 -0.4643 -0.3901 3554822 ACon1_001944 COc1cc(=O)oc(C(C)C(C)O)c1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B03 compound treatment -0.066 -0.077626 -0.4046 0.229 0.20873 1.1599 0.061 0.03862 0.2184 0.5622 0.4506 3616073 ACon1_001945 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B04 compound treatment 0.294 0.28237 1.4718 0.144 0.12373 0.6876 0.087 0.06462 0.3654 1.4577 0.8755 3559763 ACon1_001946 OC[C@H]1O[C@H](S/C(=N/OS(=O)(=O)O)/Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B05 compound treatment -0.12 -0.13163 -0.6861 0.11 0.08973 0.4986 -0.071 -0.09338 -0.5281 -0.4131 -0.4135 3616080 ACon1_001947 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B06 compound treatment -0.091 -0.10263 -0.5349 0.005 -0.01527 -0.0849 0.019 -0.0033798 -0.0191 -0.3689 -0.6806 3553933 ACon1_001948 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B07 compound treatment -0.082 -0.093626 -0.488 0.088 0.06773 0.3764 0.137 0.11462 0.6482 0.3098 0.3464 3616087 ACon1_001949 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(O)C(OC)C8O)C(C)O7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B08 compound treatment 0.371 0.35937 1.8731 0.187 0.16673 0.9265 -0.053 -0.07538 -0.4263 1.3703 0.6425 3553383 ACon1_001950 CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)C)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B09 compound treatment 0.227 0.21537 1.1226 0.205 0.18473 1.0266 0.115 0.09262 0.5238 1.5432 0.9592 3554520 ACon1_001951 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B10 compound treatment 0.358 0.34637 1.8054 0.0 -0.02027 -0.1126 -0.067 -0.08938 -0.5055 0.6855 0.365 1011613 ACon1_001952 Oc1cc(=O)oc2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B11 compound treatment 0.117 0.10537 0.5492 -0.032 -0.05227 -0.2905 0.033 0.01062 0.0601 0.1841 0.2949 2095401 ACon1_001953 CC(=CCCC1(C)Oc2c(C)cc3c4ccc(O)cc4[nH]c3c2C=C1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B12 compound treatment 0.019 0.0073745 0.0384 -0.012 -0.03227 -0.1793 -0.026 -0.04838 -0.2736 -0.2393 -0.7265 3558299 ACon1_001954 OCCCc1ccc(O)c(O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B13 mock treatment 0.059 0.047374 0.2469 -0.09 -0.11027 -0.6128 0.108 0.08562 0.4842 0.0683 0.0834 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B14 mock treatment -0.183 -0.19463 -1.0144 0.021 7.2998E-4 0.0041 0.012 -0.01038 -0.0587 -0.6172 -0.6074 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B15 compound treatment -0.033 -0.044626 -0.2326 0.186 0.16573 0.921 0.17 0.14762 0.8348 0.8794 0.6954 1000142 ACon1_001955 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]3(C)C2C(=O)C=C4[C@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B16 compound treatment -0.012 -0.023626 -0.1231 -0.012 -0.03227 -0.1793 -0.172 -0.19438 -1.0993 -0.8093 -0.7222 3011353 ACon1_001956 Oc1ccccc1C(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B17 compound treatment -0.546 -0.55763 -2.9065 0.012 -0.00827 -0.046 -0.012 -0.03438 -0.1944 -1.8168 -0.6236 909 ACon1_001957 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B18 compound treatment -0.025 -0.036626 -0.1909 0.144 0.12373 0.6876 0.103 0.08062 0.4559 0.55 0.6495 1020611 ACon1_001958 Oc1cccc2oc(cc(=O)c12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B19 compound treatment 0.0 -0.011626 -0.0606 0.057 0.03673 0.2041 0.209 0.18662 1.0554 0.6922 0.6429 3557567 ACon1_001959 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](CO)C=C[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B20 compound treatment 0.726 0.71437 3.7235 -0.094 -0.11427 -0.635 0.227 0.20462 1.1572 2.4512 0.6205 3559544 ACon1_001960 C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B21 compound treatment 0.171 0.15937 0.8307 0.182 0.16173 0.8988 0.068 0.04562 0.258 1.1475 0.9174 3557523 ACon1_001961 C/C/1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B22 compound treatment -0.269 -0.28063 -1.4627 -0.006 -0.02627 -0.146 0.006 -0.01638 -0.0926 -0.9822 -0.6669 3177322 ACon1_001962 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B23 compound treatment 0.159 0.14737 0.7682 0.174 0.15373 0.8543 0.138 0.11562 0.6539 1.3142 0.9942 3054971 ACon1_001963 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 B24 compound treatment -0.006 -0.017626 -0.0919 0.006 -0.01427 -0.0793 -0.006 -0.02838 -0.1605 -0.1915 -0.9517 3557449 ACon1_001964 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C01 compound treatment -0.027 -0.038626 -0.2013 -0.007 -0.02727 -0.1515 -0.035 -0.05738 -0.3245 -0.3911 -0.9519 3616105 ACon1_001965 COc1ccc2OC3CCN(C3C(=O)NC(Cc4ccccc4)C(=O)N/C=C\c1c2)C(=O)C(NC(=O)C(C)N(C)C)C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C02 compound treatment -0.092 -0.10363 -0.5401 0.136 0.11573 0.6431 -0.007 -0.02938 -0.1661 -0.0365 -0.0426 1034726 ACon1_001966 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C03 compound treatment 0.164 0.15237 0.7942 0.018 -0.00227 -0.0126 0.136 0.11362 0.6425 0.8222 0.8048 3557683 ACon1_001967 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C04 compound treatment 0.102 0.090374 0.4711 0.155 0.13473 0.7487 0.161 0.13862 0.7839 1.1568 0.9788 3616115 ACon1_001968 COc1cc(ccc1O)c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c(O)c3c(=O)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C05 compound treatment 0.04 0.028374 0.1479 -0.111 -0.13127 -0.7295 0.17 0.14762 0.8348 0.1462 0.1307 3555406 ACon1_001969 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@]143)C(C)(C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C06 compound treatment -0.069 -0.080626 -0.4202 0.112 0.09173 0.5098 0.145 0.12262 0.6934 0.452 0.472 3616121 ACon1_001970 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C07 compound treatment 1.5 1.4884 6.2667 1.883 1.8627 7.3002 2.117 2.0946 7.7562 12.3109 0.9962 3616123 ACon1_001971 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]3([C@H](O)O[C@@]45CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@H]8O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)C4CC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C08 compound treatment -0.121 -0.13263 -0.6913 0.095 0.07473 0.4153 0.132 0.10962 0.6199 0.1986 0.1952 3616129 ACon1_001972 CCCC(O)/C(=C/C1=C(C(=O)CC(CC(=O)O)OC(=O)N)C(=O)c2cccc(O)c2C1=O)/CC(C(=O)O)[N+](C)(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C09 compound treatment 0.227 0.21537 1.1226 0.269 0.24873 1.3822 0.244 0.22162 1.2533 2.1698 0.9964 3616135 ACon1_001973 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C10 compound treatment 0.145 0.13337 0.6952 0.136 0.11573 0.6431 0.092 0.06962 0.3937 1.0 0.975 1076495 ACon1_001974 CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C11 mock treatment -0.056 -0.067626 -0.3525 -0.051 -0.07127 -0.3961 -0.102 -0.12438 -0.7034 -0.8383 -0.9517 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C12 mock treatment -0.046 -0.057626 -0.3004 0.012 -0.00827 -0.046 0.077 0.05462 0.3089 -0.0216 -0.0499 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C13 compound treatment -0.025 -0.036626 -0.1909 -0.061 -0.08127 -0.4516 -0.039 -0.06138 -0.3471 -0.5714 -0.9511 3616143 ACon1_001975 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C14 compound treatment -0.006 -0.017626 -0.0919 0.065 0.04473 0.2486 -0.206 -0.22838 -1.2915 -0.6552 -0.4969 3616150 ACon1_001976 CCCCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C15 mock treatment -0.006 -0.017626 -0.0919 0.012 -0.00827 -0.046 0.175 0.15262 0.8631 0.4187 0.4818 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C16 mock treatment -0.048 -0.059626 -0.3108 -0.023 -0.04327 -0.2405 0.039 0.01662 0.094 -0.264 -0.6534 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C17 compound treatment 0.108 0.096374 0.5023 0.241 0.22073 1.2266 0.225 0.20262 1.1459 1.6598 0.9473 3616151 ACon1_001977 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](OC(=O)C)[C@@H](O)[C@@]12COC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C18 compound treatment -0.264 -0.27563 -1.4366 0.029 0.00873 0.0485 0.56 0.53762 3.0403 0.9539 0.2836 3557642 ACon1_001978 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@]9(C8CC(C)(C)C[C@@H]9OC(=O)C)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C19 compound treatment 0.376 0.36437 1.8992 0.186 0.16573 0.921 0.332 0.30962 1.751 2.6392 0.9623 1147 ACon1_001979 COc1c2ccoc2cc3oc(=O)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C20 compound treatment -0.058 -0.069626 -0.3629 0.076 0.05573 0.3097 -0.133 -0.15538 -0.8787 -0.538 -0.5381 3558157 ACon1_001980 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C21 compound treatment 1.047 1.0354 5.2777 0.711 0.69073 3.8385 1.012 0.98962 5.5644 8.4758 0.9883 3616160 ACon1_001981 CC1OC(OC2C(O)C(O)C(C)OC2OC3C(O)C(O)C(CO)OC3OC4C(O)C(OC(OC5CCC6(C)C(CCC7(C)C6CCC89OCC%10(CCC(C)(C)CC%109)C(O)CC87C)C5(C)C)C4OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C22 compound treatment -0.051 -0.062626 -0.3264 0.067 0.04673 0.2597 -0.037 -0.05938 -0.3358 -0.2324 -0.434 3558367 ACon1_001982 C[C@@H]1C[C@H]2OC[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C23 compound treatment -0.058 -0.069626 -0.3629 0.034 0.01373 0.0763 -0.138 -0.16038 -0.907 -0.6891 -0.7033 3616165 ACon1_001983 COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC3C4O[C@]4(CO)[C@@H]5[C@H]3C=COC5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 C24 compound treatment 0.062 0.050374 0.2626 0.207 0.18673 1.0377 0.123 0.10062 0.569 1.0792 0.8903 3557295 ACon1_001984 C/C=C/C1=CC(=O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D01 compound treatment 0.053 0.041374 0.2157 0.103 0.08273 0.4597 -0.039 -0.06138 -0.3471 0.1895 0.3081 3616143 ACon1_001985 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D02 compound treatment -0.071 -0.082626 -0.4307 0.012 -0.00827 -0.046 0.093 0.07062 0.3994 -0.0446 -0.0757 3559089 ACon1_001986 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D03 compound treatment -0.191 -0.20263 -1.0561 0.088 0.06773 0.3764 0.086 0.06362 0.3598 -0.1847 -0.1569 3616174 ACon1_001987 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c(C(=O)c4ccc(O)cc4)c3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D04 compound treatment 0.145 0.13337 0.6952 0.185 0.16473 0.9154 0.148 0.12562 0.7104 1.34 0.9917 3559657 ACon1_001988 COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D05 compound treatment -0.057 -0.068626 -0.3577 -0.012 -0.03227 -0.1793 0.077 0.05462 0.3089 -0.1317 -0.2606 3616180 ACon1_001989 CC1C2C(CC3C4CC(O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C7CC(O)CCC7(C)C4CCC23C)OC81OCC(C)CC8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D06 compound treatment -0.061 -0.072626 -0.3785 0.408 0.38773 2.1547 0.273 0.25062 1.4173 1.8437 0.7073 3559746 ACon1_001990 COc1cc2N3[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCO[C@H]5CC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D07 compound treatment 0.11 0.098374 0.5128 0.23 0.20973 1.1655 0.098 0.07562 0.4276 1.2158 0.9052 3553158 ACon1_001991 C[C@H]1OC(=O)[C@@]23C(=C)[C@]4(C)OC(=O)[C@@]31O[C@]5([C@@H]4O)C(=C)[C@@]6(CC[C@]25C)C=CC(=O)OC6(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D08 compound treatment 0.178 0.16637 0.8672 -0.212 -0.23227 -1.2908 -0.123 -0.14538 -0.8221 -0.7192 -0.4089 3559359 ACon1_001992 O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc3ccc(O)c(O)c3)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D09 compound treatment -0.169 -0.18063 -0.9415 0.085 0.06473 0.3597 0.037 0.01462 0.0827 -0.2881 -0.2849 3616190 ACon1_001993 C/C=C/[C@H]1[C@@H](C=C(C)[C@H]2CC[C@H](C)C[C@H]12)C(=O)c3c(O)c(c[nH]c3=O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D10 compound treatment 0.062 0.050374 0.2626 0.034 0.01373 0.0763 0.261 0.23862 1.3494 0.9747 0.7079 3554007 ACon1_001994 CC1CC2C=CC3COC(=O)C3(C)C2CC1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D11 mock treatment 0.186 0.17437 0.9089 0.182 0.16173 0.8988 0.282 0.25962 1.4682 1.8913 0.9716 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D12 mock treatment 0.037 0.025374 0.1323 -0.058 -0.07827 -0.435 0.177 0.15462 0.8744 0.3301 0.3349 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D13 compound treatment 0.02 0.0083745 0.0436 -0.038 -0.05827 -0.3238 0.006 -0.01638 -0.0926 -0.2152 -0.6337 3559637 ACon1_001995 COC(=O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D14 compound treatment -0.118 -0.12963 -0.6756 0.146 0.12573 0.6987 0.101 0.07862 0.4446 0.27 0.2526 3079231 ACon1_001996 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]654)c7ccoc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D15 mock treatment 0.03 0.018374 0.0958 -0.072 -0.09227 -0.5128 -0.063 -0.08538 -0.4828 -0.5195 -0.7309 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D16 mock treatment -0.095 -0.10663 -0.5558 0.094 0.07373 0.4097 0.013 -0.0093798 -0.053 -0.1149 -0.166 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D17 compound treatment -0.119 -0.13063 -0.6809 0.093 0.07273 0.4042 0.053 0.03062 0.1732 -0.0598 -0.0737 2838 ACon1_001997 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D18 compound treatment -0.03 -0.041626 -0.217 -0.026 -0.04627 -0.2571 -0.064 -0.08638 -0.4885 -0.5557 -0.937 3559519 ACon1_001998 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(=O)O)[C@@]1(C)CCc3ccoc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D19 compound treatment -0.252 -0.26363 -1.3741 -0.172 -0.19227 -1.0685 -0.289 -0.31138 -1.7609 -2.4269 -0.9802 1054601 ACon1_001999 Cc1cc2c3ccccc3[nH]c2c4C=CC(C)(C)Oc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D20 compound treatment 0.13 0.11837 0.617 -0.053 -0.07327 -0.4072 0.072 0.04962 0.2806 0.2832 0.3581 3559588 ACon1_002000 OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C/C(=C\CC1)/C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D21 compound treatment -0.103 -0.11463 -0.5975 0.018 -0.00227 -0.0126 0.012 -0.01038 -0.0587 -0.3861 -0.643 3559469 ACon1_002001 CC1(C)CC2C1[C@@H](O)C/C(=C/CCC2=C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D22 compound treatment -0.071 -0.082626 -0.4307 0.161 0.14073 0.7821 0.071 0.04862 0.275 0.3616 0.3871 3557446 ACon1_002002 C[C@@]12C[C@H](O)C3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D23 compound treatment -0.174 -0.18563 -0.9675 -0.065 -0.08527 -0.4739 -0.133 -0.15538 -0.8787 -1.3395 -0.9635 3559627 ACon1_002003 CCCCCCCCC#CCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 D24 compound treatment 0.012 3.7448E-4 0.002 0.076 0.05573 0.3097 0.06 0.03762 0.2127 0.3028 0.8058 3557443 ACon1_002004 C[C@@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E01 mock treatment 0.028 0.016374 0.0853 -0.075 -0.09527 -0.5294 -0.041 -0.06338 -0.3584 -0.4633 -0.7183 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E02 mock treatment 0.031 0.019374 0.101 -0.02 -0.04027 -0.2238 0.014 -0.0083798 -0.0474 -0.0983 -0.393 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E03 compound treatment 0.095 0.083374 0.4346 -0.05 -0.07027 -0.3905 0.105 0.08262 0.4672 0.2952 0.3946 3557620 ACon1_002005 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(=C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E04 compound treatment 0.215 0.20337 1.06 0.094 0.07373 0.4097 0.087 0.06462 0.3654 1.0596 0.8876 3616208 ACon1_002006 OCC1OC(OC2OC=C(C(CC(=O)O)C2C=C)C(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E05 compound treatment 0.16 0.14837 0.7734 -0.03 -0.05027 -0.2794 0.074 0.05162 0.2919 0.4538 0.52 3616212 ACon1_002007 OC1C(O)C(COC(=O)/C=C/c2ccc(O)cc2)OC(OC(=O)/C=C/c3ccc(O)c(O)c3)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E06 compound treatment -0.113 -0.12463 -0.6496 0.098 0.07773 0.432 0.151 0.12862 0.7274 0.2943 0.2759 3558000 ACon1_002008 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E07 compound treatment -0.034 -0.045626 -0.2378 0.123 0.10273 0.5709 0.181 0.15862 0.897 0.7102 0.6518 3555029 ACon1_002009 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E08 compound treatment 0.092 0.080374 0.4189 -0.087 -0.10727 -0.5961 0.096 0.07362 0.4163 0.1381 0.1645 3616218 ACon1_002010 CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(oc3c2)c5ccc(O)cc5)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E09 mock treatment 0.012 3.7448E-4 0.002 0.006 -0.01427 -0.0793 0.019 -0.0033798 -0.0191 -0.0557 -0.6825 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E10 mock treatment 0.092 0.080374 0.4189 0.095 0.07473 0.4153 0.199 0.17662 0.9988 1.0583 0.9123 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E11 compound treatment 0.201 0.18937 0.9871 -0.222 -0.24227 -1.3463 -0.012 -0.03438 -0.1944 -0.3197 -0.1902 3616221 ACon1_002011 COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@H]43)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E12 compound treatment -0.02 -0.031626 -0.1648 -0.026 -0.04627 -0.2571 0.013 -0.0093798 -0.053 -0.2742 -0.8847 3616227 ACon1_002012 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E13 compound treatment -0.02 -0.031626 -0.1648 -0.035 -0.05527 -0.3071 0.061 0.03862 0.2184 -0.1464 -0.3559 3616231 ACon1_002013 C/C(=C/CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C4(C)C)/CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E14 compound treatment 0.061 0.049374 0.2574 0.129 0.10873 0.6042 0.049 0.02662 0.1505 0.5844 0.8673 3614428 ACon1_002014 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E15 compound treatment 0.061 0.049374 0.2574 0.045 0.02473 0.1374 0.048 0.02562 0.1449 0.3116 0.9565 3616237 ACon1_002015 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cccc(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E16 compound treatment 0.097 0.085374 0.445 0.006 -0.01427 -0.0793 0.019 -0.0033798 -0.0191 0.2001 0.4423 3616246 ACon1_002016 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)OC91CCC(C)CN9 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E17 mock treatment 0.133 0.12137 0.6326 -0.06 -0.08027 -0.4461 -0.073 -0.09538 -0.5394 -0.2037 -0.2159 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E18 mock treatment -0.305 -0.31663 -1.6503 -0.01 -0.03027 -0.1682 0.018 -0.0043798 -0.0248 -1.0642 -0.6415 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E19 compound treatment -0.021 -0.032626 -0.1701 0.125 0.10473 0.582 0.242 0.21962 1.242 0.9549 0.6909 3616250 ACon1_002017 COc1cc(cc(O)c1OC)c2cc(O)c(OC)c(OC)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E20 compound treatment -0.062 -0.073626 -0.3838 -0.149 -0.16927 -0.9407 -0.072 -0.09438 -0.5337 -1.0728 -0.9348 3554291 ACon1_002018 CCCCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E21 compound treatment -0.018 -0.029626 -0.1544 0.055 0.03473 0.193 0.025 0.0026202 0.0148 0.0308 0.1245 3616255 ACon1_002019 CC[C@H]1C(=O)CC2C3CCC4C[C@@H](O)[C@]5(O)C[C@]4(CO5)C3CC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E22 compound treatment 0.006 -0.0056255 -0.0293 0.042 0.02173 0.1208 -0.05 -0.07238 -0.4093 -0.1835 -0.429 3558178 ACon1_002020 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E23 compound treatment 0.1 0.088374 0.4606 0.032 0.01173 0.0652 0.232 0.20962 1.1854 0.988 0.7758 3558962 ACon1_002021 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 E24 compound treatment 0.153 0.14137 0.7369 0.071 0.05073 0.2819 0.072 0.04962 0.2806 0.7502 0.8959 3616265 ACon1_002022 CC(C)c1cc(O)c(C)c(c1O)c2c(C)c(O)cc(C(C)C)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F01 mock treatment -0.058 -0.069626 -0.3629 -0.021 -0.04127 -0.2293 -0.047 -0.06938 -0.3924 -0.5685 -0.9774 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F02 mock treatment -0.035 -0.046626 -0.243 -0.033 -0.05327 -0.296 0.039 0.01662 0.094 -0.257 -0.6516 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F03 compound treatment -0.052 -0.063626 -0.3316 0.0 -0.02027 -0.1126 0.15 0.12762 0.7217 0.1602 0.1997 3616267 ACon1_002023 C[C@H]1O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F04 compound treatment -0.352 -0.36363 -1.8953 0.055 0.03473 0.193 -0.036 -0.05838 -0.3301 -1.1734 -0.6069 3559767 ACon1_002024 COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F05 compound treatment -0.084 -0.095626 -0.4984 0.183 0.16273 0.9043 0.088 0.06562 0.3711 0.4486 0.4088 3616273 ACon1_002025 C[C@H]1O[C@@H](OC(C)(CC/C=C(\C)/C(=O)O)C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F06 compound treatment 0.091 0.079374 0.4137 0.036 0.01573 0.0874 0.119 0.09662 0.5464 0.6048 0.8754 1020610 ACon1_002026 Oc1ccc2oc(cc(=O)c2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F07 compound treatment 0.204 0.19237 1.0027 0.17 0.14973 0.8321 0.319 0.29662 1.6774 2.0278 0.9547 3616280 ACon1_002027 CC(=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F08 compound treatment 0.177 0.16537 0.862 0.114 0.09373 0.5209 0.296 0.27362 1.5474 1.6918 0.9163 3616283 ACon1_002028 CCCCOC(=O)C(N)CCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F09 mock treatment 0.055 0.043374 0.2261 -0.047 -0.06727 -0.3738 -0.095 -0.11738 -0.6638 -0.4686 -0.5896 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F10 mock treatment -0.077 -0.088626 -0.4619 0.0 -0.02027 -0.1126 0.078 0.05562 0.3145 -0.1501 -0.2633 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F11 compound treatment 0.283 0.27137 1.4145 0.546 0.52573 2.9216 0.436 0.41362 2.3391 3.8539 0.9632 3559302 ACon1_002029 CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C7CC(=C(C)C(=O)O7)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F12 compound treatment 0.012 3.7448E-4 0.002 -0.082 -0.10227 -0.5683 -0.03 -0.05238 -0.2962 -0.498 -0.7771 3553842 ACon1_002030 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F13 compound treatment -0.212 -0.22363 -1.1656 -0.083 -0.10327 -0.5739 -0.131 -0.15338 -0.8674 -1.5051 -0.9635 3559459 ACon1_002031 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F14 compound treatment -0.126 -0.13763 -0.7173 0.101 0.08073 0.4486 0.096 0.07362 0.4163 0.0852 0.0904 3558542 ACon1_002032 COc1cc(/C=C/CO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F15 compound treatment 0.019 0.0073745 0.0384 0.211 0.19073 1.0599 0.146 0.12362 0.6991 1.0378 0.8169 3553373 ACon1_002033 CC(=O)OC[C@@]12CCC(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F16 compound treatment -0.191 -0.20263 -1.0561 -0.012 -0.03227 -0.1793 -0.03 -0.05238 -0.2962 -0.8843 -0.7956 3559439 ACon1_002034 C/C=C(/C)\C(=O)OC1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F17 mock treatment 2.337 2.3254 7.4382 -0.006 -0.02627 -0.146 -0.078 -0.10038 -0.5677 3.8824 0.5203 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F18 mock treatment -0.165 -0.17663 -0.9206 -0.028 -0.04827 -0.2682 0.0 -0.02238 -0.1266 -0.7595 -0.7852 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F19 compound treatment -0.187 -0.19863 -1.0353 -0.185 -0.20527 -1.1407 0.029 0.0066202 0.0374 -1.2347 -0.8013 3559364 ACon1_002035 COc1cc2[nH]c3ccccc3c2cc1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F20 compound treatment -0.093 -0.10463 -0.5453 -0.012 -0.03227 -0.1793 0.019 -0.0033798 -0.0191 -0.4294 -0.7476 1308020 ACon1_002036 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F21 compound treatment -0.112 -0.12363 -0.6444 0.066 0.04573 0.2541 -0.006 -0.02838 -0.1605 -0.318 -0.4472 1112402 ACon1_002037 COc1ccc2ccc(=O)oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F22 compound treatment -0.132 -0.14363 -0.7486 0.013 -0.00727 -0.0404 -0.03 -0.05238 -0.2962 -0.6266 -0.7773 3557454 ACon1_002038 C[C@@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F23 compound treatment -0.24 -0.25163 -1.3115 0.007 -0.01327 -0.0737 -0.052 -0.07438 -0.4206 -1.0426 -0.7559 3559628 ACon1_002039 CCCCCCCCC#CCCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 F24 compound treatment 0.094 0.082374 0.4294 0.03 0.00973 0.0541 -0.159 -0.18138 -1.0257 -0.3131 -0.2812 3557444 ACon1_002040 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G01 compound treatment -0.09 -0.10163 -0.5297 0.046 0.02573 0.143 0.019 -0.0033798 -0.0191 -0.2343 -0.4268 3616293 ACon1_002041 CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C(=O)Nc4cccc(O)c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G02 compound treatment -0.301 -0.31263 -1.6295 -0.128 -0.14827 -0.824 -0.198 -0.22038 -1.2463 -2.136 -0.9662 3558908 ACon1_002042 CC1(C)CCC[C@@]2(C)C1CC(=O)c3cc(O)c(O)cc32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G03 mock treatment -0.217 -0.22863 -1.1917 -0.05 -0.07027 -0.3905 0.15 0.12762 0.7217 -0.4968 -0.3433 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G04 mock treatment -0.129 -0.14063 -0.733 -0.037 -0.05727 -0.3183 0.159 0.13662 0.7726 -0.1609 -0.1447 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G05 compound treatment 0.224 0.21237 1.1069 0.176 0.15573 0.8654 0.228 0.20562 1.1628 1.8101 0.9925 3557720 ACon1_002043 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(oc2c1)c6ccc(O)c(O)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G06 compound treatment -0.244 -0.25563 -1.3324 0.023 0.00273 0.0152 0.086 0.06362 0.3598 -0.5528 -0.4005 3616299 ACon1_002044 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G07 compound treatment 0.047 0.035374 0.1844 0.08 0.05973 0.3319 0.051 0.02862 0.1619 0.3915 0.9486 3616301 ACon1_002045 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)/C=C/c4ccccc4)c(O)c3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G08 compound treatment 0.706 0.69437 3.6192 -0.026 -0.04627 -0.2571 0.212 0.18962 1.0723 2.5602 0.6767 3616305 ACon1_002046 CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G09 compound treatment 0.084 0.072374 0.3772 0.153 0.13273 0.7376 0.227 0.20462 1.1572 1.3117 0.9217 3553481 ACon1_002047 CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G10 compound treatment 0.007 -0.0046255 -0.0241 0.019 -0.00127 -0.0071 0.095 0.07262 0.4107 0.2191 0.5325 3616309 ACon1_002048 CC1OC(OC2C(O)C(O)C(OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(C)C(OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)OC2CO)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G11 compound treatment 0.032 0.020374 0.1062 0.155 0.13473 0.7487 0.026 0.0036202 0.0205 0.5054 0.6681 3558718 ACon1_002049 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G12 compound treatment -0.305 -0.31663 -1.6503 0.022 0.00173 0.0096 -0.045 -0.06738 -0.381 -1.1673 -0.6891 3616313 ACon1_002050 CC1OC(OC2C(O)C(O)C(COC3OCC(O)C(O)C3O)OC2OC(=O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OC(CO)C(OC%10OC(C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(=O)O)C(O)C9O)C(C)(CO)C8CCC7(C)C6(C)CC4)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G13 compound treatment 0.039 0.027374 0.1427 0.007 -0.01327 -0.0737 0.013 -0.0093798 -0.053 0.0092 0.0543 3616315 ACon1_002051 C[C@@H]1C[C@@H](OC(=O)C)C2[C@]3(C)CCC[C@]2(COC3=O)[C@@]1(O)CCc4ccoc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G14 compound treatment -0.092 -0.10363 -0.5401 0.07 0.04973 0.2764 0.209 0.18662 1.0554 0.457 0.3754 3616319 ACon1_002052 C/C=C\C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G15 compound treatment -0.032 -0.043626 -0.2274 0.026 0.00573 0.0318 0.006 -0.01638 -0.0926 -0.1664 -0.672 3616320 ACon1_002053 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G16 compound treatment 0.148 0.13637 0.7108 0.233 0.21273 1.1822 0.031 0.0086202 0.0487 1.1211 0.8122 3616324 ACon1_002054 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)OC81CCC(C)CN8 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G17 compound treatment 0.189 0.17737 0.9245 0.204 0.18373 1.021 -0.105 -0.12738 -0.7204 0.7074 0.4551 3616327 ACon1_002055 COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(c2)c3cc(CC(CO)C(CO)Cc4ccc(O)c(OC)c4)cc(OC)c3O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G18 compound treatment -0.252 -0.26363 -1.3741 0.211 0.19073 1.0599 0.274 0.25162 1.423 0.6402 0.2853 3553093 ACon1_002056 C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]25[C@@H](/C=C/C[C@H](C)\C=C(/C)\[C@@H](O)C(=O)\C=C\C5=O)[C@@H]6O[C@@]61C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G19 mock treatment -0.03 -0.041626 -0.217 -0.129 -0.14927 -0.8295 0.011 -0.01138 -0.0644 -0.6413 -0.7459 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G20 mock treatment -0.126 -0.13763 -0.7173 0.063 0.04273 0.2375 -0.024 -0.04638 -0.2623 -0.4285 -0.5357 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G21 compound treatment 0.006 -0.0056255 -0.0293 0.053 0.03273 0.1819 0.135 0.11262 0.6369 0.4558 0.6875 3616329 ACon1_002057 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G22 compound treatment 0.101 0.089374 0.4658 0.209 0.18873 1.0488 -0.057 -0.07938 -0.4489 0.6153 0.4993 3616332 ACon1_002058 OC1COC(OCC2OC(O[C@H](C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G23 compound treatment 0.145 0.13337 0.6952 0.243 0.22273 1.2377 0.082 0.05962 0.3372 1.3106 0.8983 3616337 ACon1_002059 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCC(O)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 G24 compound treatment 0.048 0.036374 0.1896 -0.062 -0.08227 -0.4572 0.139 0.11662 0.6595 0.2263 0.2744 3616341 ACon1_002060 COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H01 compound treatment 0.088 0.076374 0.3981 0.051 0.03073 0.1708 0.063 0.04062 0.2297 0.4611 0.9403 3616345 ACon1_002061 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(O)OC4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H02 compound treatment -0.037 -0.048626 -0.2534 0.358 0.33773 1.8768 0.132 0.10962 0.6199 1.2952 0.6499 3559239 ACon1_002062 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H]1OC(=O)c4cc(O)c(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H03 mock treatment -0.261 -0.27263 -1.421 0.032 0.01173 0.0652 0.047 0.02462 0.1392 -0.7024 -0.4914 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H04 mock treatment -0.177 -0.18863 -0.9832 -0.091 -0.11127 -0.6183 -0.014 -0.03638 -0.2057 -1.0434 -0.8846 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H05 compound treatment -0.203 -0.21463 -1.1187 0.119 0.09873 0.5487 0.152 0.12962 0.733 0.0941 0.0651 3616347 ACon1_002063 CC(CC/C=C(\C)/C(=O)O)C1CC(O)C2(C)C3CCC4C5(CC35CC(O)C12C)CCC(OC6OCC(O)C(O)C6O)C4(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H06 compound treatment 0.266 0.25437 1.3259 0.083 0.06273 0.3486 0.439 0.41662 2.3561 2.327 0.8537 450 ACon1_002064 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H07 compound treatment -0.355 -0.36663 -1.9109 -0.006 -0.02627 -0.146 0.155 0.13262 0.75 -0.7546 -0.3666 3616351 ACon1_002065 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(CO)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3O)O[C@H]2CO)[C@H](O)[C@H](O)[C@H]1O[C@H]%10OC[C@](O)(CO)[C@H]%10O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H08 compound treatment -0.101 -0.11263 -0.587 -0.09 -0.11027 -0.6128 -0.096 -0.11838 -0.6695 -1.0792 -0.9985 3551814 ACon1_002066 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H09 compound treatment 0.137 0.12537 0.6535 0.104 0.08373 0.4653 0.056 0.03362 0.1901 0.7557 0.9166 3553447 ACon1_002067 CC(C)(C1CC[C@@]2(C)O[C@](C)(CCC2[C@@]1(C)CC(=O)O)C=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H10 compound treatment -0.027 -0.038626 -0.2013 0.288 0.26773 1.4878 0.013 -0.0093798 -0.053 0.7121 0.474 3557584 ACon1_002068 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H11 compound treatment 0.335 0.32337 1.6855 0.491 0.47073 2.6159 0.212 0.18962 1.0723 3.1025 0.9426 2321 ACon1_002069 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H12 compound treatment 0.0 -0.011626 -0.0606 -0.012 -0.03227 -0.1793 -0.15 -0.17238 -0.9748 -0.7013 -0.7063 3553497 ACon1_002070 CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](O)[C@@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H13 compound treatment 0.072 0.060374 0.3147 0.077 0.05673 0.3153 0.139 0.11662 0.6595 0.7445 0.9354 3187885 ACon1_002071 CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H14 compound treatment 0.031 0.019374 0.101 0.274 0.25373 1.41 0.227 0.20462 1.1572 1.5405 0.8432 3559539 ACon1_002072 C[C@H]1CCC2OC32CC4(O)OC(=O)C(=C4[C@@H](OC(=O)C(=C)C)[C@]13C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H15 compound treatment -0.062 -0.073626 -0.3838 0.147 0.12673 0.7043 0.163 0.14062 0.7952 0.6442 0.5703 3616359 ACon1_002073 CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1/C(=C/3\N=C(/C=C/4\N=C(/C(=C\5/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)/C)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)/C)OP(=O)(O)O[C@@H]6[C@H](O)[C@@H](O[C@H]6CO)n7cnc8cc(C)c(C)cc78 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H16 compound treatment -0.056 -0.067626 -0.3525 -0.031 -0.05127 -0.2849 0.007 -0.01538 -0.087 -0.4182 -0.9062 3559651 ACon1_002074 COc1ccc2C(=O)/C(=C(\O)/c3ccccc3)/Oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H17 compound treatment -0.033 -0.044626 -0.2326 0.032 0.01173 0.0652 0.163 0.14062 0.7952 0.3625 0.4361 3557456 ACon1_002075 C[C@H](CCC(=O)O)[C@H]1CCC2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C=C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H18 compound treatment 0.173 0.16137 0.8411 0.059 0.03873 0.2152 -0.079 -0.10138 -0.5733 0.2789 0.268 3559549 ACon1_002076 C/C=C(/CO)\C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H19 mock treatment -0.424 -0.43563 -2.2706 0.049 0.02873 0.1597 -0.019 -0.04138 -0.234 -1.3538 -0.5917 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H20 mock treatment -0.133 -0.14463 -0.7538 0.025 0.00473 0.0263 -0.058 -0.08038 -0.4546 -0.6825 -0.775 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H21 compound treatment 0.13 0.11837 0.617 -0.061 -0.08127 -0.4516 0.13 0.10762 0.6086 0.4469 0.4572 3559433 ACon1_002077 CC#CCc1cc2ccccc2c(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H22 compound treatment 0.021 0.0093745 0.0489 0.234 0.21373 1.1877 0.146 0.12362 0.6991 1.1176 0.8104 3557447 ACon1_002078 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H23 compound treatment -0.11 -0.12163 -0.6339 -0.03 -0.05027 -0.2794 0.131 0.10862 0.6143 -0.1726 -0.1865 3063892 ACon1_002079 COc1cc2ccc(=O)oc2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 H24 compound treatment 0.122 0.11037 0.5753 0.082 0.06173 0.343 0.028 0.0056202 0.0318 0.5486 0.818 3559653 ACon1_002080 O/C(=C\C(=O)/C=C/c1ccc(O)cc1)/C=C/c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I01 compound treatment 0.097 0.085374 0.445 0.23 0.20973 1.1655 0.204 0.18162 1.0271 1.5228 0.9424 3616365 ACon1_002081 C[C@]1(CN2C3C4C(O)[C@H]5C(O)C6[C@]73CC(=O)C1)C7[C@@H]2C[C@@]46CC5=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I02 compound treatment 0.121 0.10937 0.5701 0.05 0.02973 0.1652 0.189 0.16662 0.9423 0.9685 0.8697 3616368 ACon1_002082 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I03 compound treatment -0.019 -0.030626 -0.1596 0.054 0.03373 0.1874 0.084 0.06162 0.3485 0.2173 0.5092 3558097 ACon1_002083 COc1cc(C[C@@H]2[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)COC2=O)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I04 compound treatment 0.098 0.086374 0.4502 -0.069 -0.08927 -0.4961 0.031 0.0086202 0.0487 0.0017 0.0025 3559868 ACon1_002084 OC1C2NCCc3cc4OCOc4c(-c5ccccc15)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I05 mock treatment 0.047 0.035374 0.1844 0.023 0.00273 0.0152 0.061 0.03862 0.2184 0.2413 0.8431 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I06 mock treatment -0.118 -0.12963 -0.6756 0.042 0.02173 0.1208 0.012 -0.01038 -0.0587 -0.3543 -0.5143 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I07 compound treatment -0.008 -0.019626 -0.1023 0.006 -0.01427 -0.0793 0.141 0.11862 0.6708 0.2825 0.4134 3616375 ACon1_002085 CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)C1CC(O)C3[C@@]2(C)CCC4C(C)(C)[C@@H](O)C[C@@H](O)[C@@]43C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I08 compound treatment -0.076 -0.087626 -0.4567 0.077 0.05673 0.3153 0.014 -0.0083798 -0.0474 -0.109 -0.1958 3616379 ACon1_002086 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I09 compound treatment 0.104 0.092374 0.4815 0.094 0.07373 0.4097 0.076 0.05362 0.3032 0.6896 0.9835 3558841 ACon1_002087 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I10 compound treatment -0.006 -0.017626 -0.0919 0.041 0.02073 0.1152 -0.075 -0.09738 -0.5507 -0.3045 -0.5341 3616383 ACon1_002088 CCCCCC(=O)Cc1cc(O)c(O)c2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I11 compound treatment 0.047 0.035374 0.1844 0.039 0.01873 0.1041 0.089 0.06662 0.3767 0.3841 0.8887 3616384 ACon1_002089 OCC12OC2C(O)C3C=COC(OC4OC(COC(=O)/C=C/c5ccccc5)C(O)C(O)C4O)C31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I12 compound treatment 0.0 -0.011626 -0.0606 0.036 0.01573 0.0874 0.068 0.04562 0.258 0.1644 0.5893 3616386 ACon1_002090 CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I13 compound treatment 0.042 0.030374 0.1583 -0.021 -0.04127 -0.2293 -0.041 -0.06338 -0.3584 -0.2479 -0.5461 3616388 ACon1_002091 CC(=C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I14 compound treatment 0.021 0.0093745 0.0489 -0.014 -0.03427 -0.1904 0.098 0.07562 0.4276 0.1652 0.3509 3558106 ACon1_002092 OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I15 compound treatment 0.039 0.027374 0.1427 -0.103 -0.12327 -0.685 0.049 0.02662 0.1505 -0.2262 -0.316 3616390 ACon1_002093 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cc(O)cc(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I16 compound treatment 0.046 0.034374 0.1792 0.205 0.18473 1.0266 0.131 0.10862 0.6143 1.0508 0.8687 959 ACon1_002094 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I17 compound treatment -0.026 -0.037626 -0.1961 0.058 0.03773 0.2097 0.08 0.05762 0.3259 0.196 0.4512 3557761 ACon1_002095 OCC1OC(OCC2OC(NCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I18 compound treatment -0.032 -0.043626 -0.2274 0.202 0.18173 1.0099 0.205 0.18262 1.0328 1.048 0.7167 3553773 ACon1_002096 CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(O)[C@](NC2=O)(OC)C(=O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I19 compound treatment -0.076 -0.087626 -0.4567 0.127 0.10673 0.5931 0.391 0.36862 2.0846 1.2823 0.5789 3616392 ACon1_002097 Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I20 compound treatment 0.146 0.13437 0.7004 -0.031 -0.05127 -0.2849 0.174 0.15162 0.8574 0.7349 0.6429 3552073 ACon1_002098 C/C=C/C=C/C(=O)C1=C(O)C(=C(O)C(C)(O)C1=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I21 mock treatment 0.105 0.093374 0.4867 -0.012 -0.03227 -0.1793 0.096 0.07362 0.4163 0.4178 0.6282 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I22 mock treatment -0.072 -0.083626 -0.4359 -0.031 -0.05127 -0.2849 0.0 -0.02238 -0.1266 -0.4892 -0.9129 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I23 compound treatment 0.342 0.33037 1.722 0.141 0.12073 0.6709 0.117 0.09462 0.5351 1.6905 0.8786 3616393 ACon1_002099 C/C=C\1/C(CC(=O)OCCc2ccc(O)c(O)c2)C(=COC1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 I24 compound treatment 0.255 0.24337 1.2685 0.061 0.04073 0.2263 -0.056 -0.07838 -0.4433 0.6072 0.4456 3553755 ACon1_002100 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J01 compound treatment -0.007 -0.018626 -0.0971 0.0 -0.02027 -0.1126 -0.034 -0.05638 -0.3188 -0.3052 -0.8674 3616395 ACon1_002101 Oc1ccc(cc1)[C@H]2[C@@H]([C@@H]3[C@H](c4ccc(O)cc4)c5c(O)cc(O)cc5OC3=O)C(=O)Oc6cc(O)cc(O)c26 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J02 compound treatment -0.079 -0.090626 -0.4724 0.247 0.22673 1.26 0.285 0.26262 1.4852 1.3122 0.6548 3559240 ACon1_002102 O[C@H]1[C@H]2[C@H](CC(=O)O)C(=O)O[C@@H]3C(COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(OC1=O)c26)[C@@H]3OC(=O)c7cc(O)c(O)c(O)c7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J03 compound treatment -0.07 -0.081626 -0.4255 0.007 -0.01327 -0.0737 0.055 0.03262 0.1845 -0.1817 -0.387 3616397 ACon1_002103 COc1cc(cc2cc(oc12)c3ccc4OCOc4c3)C(O)CCOC5OC(CO)C(O)C(O)C5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J04 compound treatment 0.08 0.068374 0.3564 -0.024 -0.04427 -0.246 -0.05 -0.07238 -0.4093 -0.1726 -0.2897 3559759 ACon1_002104 CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J05 mock treatment -0.237 -0.24863 -1.2959 -0.142 -0.16227 -0.9018 0.193 0.17062 0.9649 -0.7117 -0.3847 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J06 mock treatment 0.033 0.021374 0.1114 -0.034 -0.05427 -0.3016 -0.03 -0.05238 -0.2962 -0.2808 -0.6424 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J07 compound treatment 0.102 0.090374 0.4711 0.229 0.20873 1.1599 0.421 0.39862 2.2543 2.2432 0.8699 3616398 ACon1_002105 Cc1cc2c(CO)cc(O)cc2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J08 compound treatment -0.063 -0.074626 -0.389 0.012 -0.00827 -0.046 0.038 0.01562 0.0883 -0.2001 -0.4984 1066 ACon1_002106 OC1OCC=C2OC(=O)C=C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J09 compound treatment -0.412 -0.42363 -2.208 -0.012 -0.03227 -0.1793 0.101 0.07862 0.4446 -1.1216 -0.4964 3555011 ACon1_002107 COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(=O)C)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J10 compound treatment -0.019 -0.030626 -0.1596 0.0 -0.02027 -0.1126 0.075 0.05262 0.2976 0.0146 0.041 3558451 ACon1_002108 CC1=C2CCC(C)(O)C=C2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J11 compound treatment 0.119 0.10737 0.5597 0.569 0.54873 3.0494 0.081 0.05862 0.3315 2.2751 0.7297 3559926 ACon1_002109 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CCOC2=O)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J12 compound treatment -0.006 -0.017626 -0.0919 0.058 0.03773 0.2097 0.0 -0.02238 -0.1266 -0.0051 -0.0193 3559949 ACon1_002110 C/C=C(/C)\C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J13 compound treatment -0.113 -0.12463 -0.6496 -0.014 -0.03427 -0.1904 0.087 0.06462 0.3654 -0.274 -0.3562 3553079 ACon1_002111 C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)/C(=C/CO)/COC(=O)/C(=C/CO)/C)C3[C@@H]2OC(=O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J14 compound treatment -0.172 -0.18363 -0.9571 0.092 0.07173 0.3986 0.192 0.16962 0.9592 0.2314 0.1638 3083213 ACon1_002112 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J15 compound treatment 0.0 -0.011626 -0.0606 0.142 0.12173 0.6765 0.0 -0.02238 -0.1266 0.2825 0.4089 3558672 ACon1_002113 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CC[C@H]12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J16 compound treatment -0.152 -0.16363 -0.8529 0.025 0.00473 0.0263 -0.084 -0.10638 -0.6016 -0.8246 -0.7898 3559659 ACon1_002114 CC(=CCn1cnc(N)c2ncnc12)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J17 compound treatment 0.006 -0.0056255 -0.0293 0.293 0.27273 1.5156 0.152 0.12962 0.733 1.2813 0.761 3141 ACon1_002115 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J18 compound treatment 0.18 0.16837 0.8776 0.206 0.18573 1.0321 0.32 0.29762 1.6831 2.0743 0.9601 2107849 ACon1_002116 C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCc2ccoc2)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J19 compound treatment 0.057 0.045374 0.2365 0.103 0.08273 0.4597 0.012 -0.01038 -0.0587 0.3681 0.7074 1054600 ACon1_002117 COc1cc(C=O)cc2c3ccccc3[nH]c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J20 compound treatment 0.013 0.0013745 0.0072 0.043 0.02273 0.1263 0.02 -0.0023798 -0.0135 0.0693 0.5446 1024517 ACon1_002118 COc1cc2CCNC(C)c2cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J21 mock treatment 0.027 0.015374 0.0801 -0.024 -0.04427 -0.246 0.151 0.12862 0.7274 0.3242 0.4199 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J22 mock treatment -0.038 -0.049626 -0.2587 -0.044 -0.06427 -0.3572 0.05 0.02762 0.1562 -0.2654 -0.5672 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J23 compound treatment -0.019 -0.030626 -0.1596 0.081 0.06073 0.3375 0.085 0.06262 0.3541 0.3071 0.5969 1528803 ACon1_002119 CC1(C)C2(C)CCC1(OC2=O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 J24 compound treatment -0.057 -0.068626 -0.3577 0.0 -0.02027 -0.1126 -0.157 -0.17938 -1.0144 -0.8572 -0.7926 3559578 ACon1_002120 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C)\COC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K01 compound treatment 0.075 0.063374 0.3303 0.098 0.07773 0.432 0.037 0.01462 0.0827 0.4878 0.8869 3553784 ACon1_002121 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3C1CC2[C@@H]5N(C)c6ccccc64 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K02 compound treatment -0.144 -0.15563 -0.8112 -0.101 -0.12127 -0.6739 -0.123 -0.14538 -0.8221 -1.3321 -0.9962 3557326 ACon1_002122 CC[C@H](C)[C@H]1NC(=O)[C@@H]2C[C@@]3([C@@H](Nc4ccccc43)N2C1=O)C(C)(C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K03 compound treatment 0.042 0.030374 0.1583 0.057 0.03673 0.2041 0.183 0.16062 0.9083 0.7337 0.7769 3558174 ACon1_002123 CC(O)CCC1=CCC2C(CC1C)OC(=O)C2=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K04 compound treatment 0.018 0.0063745 0.0332 0.153 0.13273 0.7376 0.032 0.0096202 0.0544 0.4764 0.6435 3559931 ACon1_002124 CC(=O)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)C)C(=O)/C=C/c2ccc(O)cc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K05 compound treatment 0.065 0.053374 0.2782 0.036 0.01573 0.0874 -0.103 -0.12538 -0.709 -0.1983 -0.2586 3552912 ACon1_002125 C[C@]12O[C@@H]2CC3C(C)(C)CCC[C@]3(C)[C@]41CC[C@](C)(CC(=O)O)O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K06 compound treatment -0.03 -0.041626 -0.217 -0.124 -0.14427 -0.8017 0.203 0.18062 1.0214 0.0016 0.0012 3616399 ACon1_002126 COc1c(C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K07 mock treatment 0.129 0.11737 0.6118 1.348 1.3277 6.328 0.008 -0.01438 -0.0813 3.9597 0.6228 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K08 mock treatment 0.126 0.11437 0.5961 -0.058 -0.07827 -0.435 0.072 0.04962 0.2806 0.2551 0.3231 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K09 compound treatment 0.047 0.035374 0.1844 0.095 0.07473 0.4153 0.288 0.26562 1.5021 1.2135 0.7732 3616400 ACon1_002127 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K10 compound treatment -0.071 -0.082626 -0.4307 0.082 0.06173 0.343 0.093 0.07062 0.3994 0.18 0.2646 3616402 ACon1_002128 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K11 compound treatment 0.13 0.11837 0.617 0.152 0.13173 0.732 0.343 0.32062 1.8132 1.8257 0.8904 3616404 ACon1_002129 CC(C)C1CCC(=C2CCC(=CC12)C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K12 compound treatment 0.024 0.012374 0.0645 0.104 0.08373 0.4653 0.074 0.05162 0.2919 0.4744 0.8578 3616405 ACon1_002130 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K13 compound treatment 0.025 0.013374 0.0697 -0.046 -0.06627 -0.3683 0.006 -0.01638 -0.0926 -0.2259 -0.585 3616407 ACon1_002131 C[C@@H]1[C@@H](C)c2ncccc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K14 compound treatment -0.173 -0.18463 -0.9623 0.123 0.10273 0.5709 0.057 0.03462 0.1958 -0.113 -0.0994 3616409 ACon1_002132 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K15 mock treatment 0.024 0.012374 0.0645 0.0 -0.02027 -0.1126 -0.057 -0.07938 -0.4489 -0.287 -0.6141 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K16 mock treatment -0.169 -0.18063 -0.9415 0.129 0.10873 0.6042 0.177 0.15462 0.8744 0.3101 0.2184 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K17 compound treatment -0.045 -0.056626 -0.2951 0.093 0.07273 0.4042 0.057 0.03462 0.1958 0.176 0.3275 3616411 ACon1_002133 CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@@H]21)C(=C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K18 compound treatment -0.045 -0.056626 -0.2951 0.028 0.00773 0.043 0.202 0.17962 1.0158 0.4409 0.4164 3616413 ACon1_002134 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K19 compound treatment 0.229 0.21737 1.133 0.161 0.14073 0.7821 0.061 0.03862 0.2184 1.2318 0.8837 3616414 ACon1_002135 CC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K20 compound treatment 0.279 0.26737 1.3936 0.166 0.14573 0.8098 0.13 0.10762 0.6086 1.6236 0.9423 3557979 ACon1_002136 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CC(O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K21 compound treatment 0.565 0.55337 2.8843 0.07 0.04973 0.2764 0.083 0.06062 0.3428 2.0227 0.6933 1116462 ACon1_002137 Nc1c(O)cccc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K22 compound treatment 0.117 0.10537 0.5492 -0.103 -0.12327 -0.685 0.113 0.09062 0.5125 0.2175 0.2139 3559068 ACon1_002138 COc1cc(cc(OC)c1OC)C2OC(C(C)C2C)c3cc(OC)c(OC)c(OC)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K23 mock treatment -0.033 -0.044626 -0.2326 0.026 0.00573 0.0318 0.025 0.0026202 0.0148 -0.1074 -0.4564 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 K24 mock treatment 0.148 0.13637 0.7108 -0.011 -0.03127 -0.1738 -0.019 -0.04138 -0.234 0.175 0.2277 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L01 compound treatment -0.032 -0.043626 -0.2274 0.122 0.10173 0.5653 0.076 0.05362 0.3032 0.3702 0.5439 3615597 ACon1_002139 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L02 compound treatment 0.099 0.087374 0.4554 0.082 0.06173 0.343 0.085 0.06262 0.3541 0.6654 0.9915 3557877 ACon1_002140 OC[C@H]1O[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L03 compound treatment 0.019 0.0073745 0.0384 0.084 0.06373 0.3542 0.155 0.13262 0.75 0.6597 0.7945 3616416 ACon1_002141 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L04 compound treatment 0.176 0.16437 0.8568 -0.052 -0.07227 -0.4016 -0.039 -0.06138 -0.3471 0.0624 0.0619 1091317 ACon1_002142 CC(C)CC(=O)CC1(C)CCC(O1)c2ccoc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L05 compound treatment -0.025 -0.036626 -0.1909 0.024 0.00373 0.0207 0.127 0.10462 0.5916 0.2433 0.3912 3616418 ACon1_002143 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](OC(=O)C)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L06 compound treatment 0.136 0.12437 0.6483 0.122 0.10173 0.5653 0.098 0.07562 0.4276 0.9476 0.9864 3552811 ACon1_002144 C[C@@H]1OC(CC[C@@H]1O)O[C@@]23C(=O)C[C@](C)(O)C[C@@]3(O)C=CC4=C2C(=O)c5ccc([C@H]6C[C@@H](O[C@H]7CC[C@H](O[C@H]8C[C@@H](O)[C@H](O)[C@@H](C)O8)[C@H](C)O7)[C@H](O)[C@@H](C)O6)c(O)c5C4=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L07 mock treatment 0.164 0.15237 0.7942 -0.065 -0.08527 -0.4739 -0.043 -0.06538 -0.3697 -0.0285 -0.0286 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L08 mock treatment 0.035 0.023374 0.1218 -0.031 -0.05127 -0.2849 -0.054 -0.07638 -0.4319 -0.3435 -0.6462 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L09 compound treatment -0.109 -0.12063 -0.6287 0.043 0.02273 0.1263 -0.045 -0.06738 -0.381 -0.5101 -0.6838 3558762 ACon1_002145 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L10 compound treatment 0.076 0.064374 0.3355 0.273 0.25273 1.4045 0.289 0.26662 1.5078 1.8751 0.8982 3558525 ACon1_002146 COC(=O)CCCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L11 compound treatment -0.062 -0.073626 -0.3838 0.079 0.05873 0.3264 0.243 0.22062 1.2476 0.6872 0.5107 3558176 ACon1_002147 COc1cc(O)c2C(=O)[C@H](OC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L12 compound treatment -0.167 -0.17863 -0.931 -0.048 -0.06827 -0.3794 0.018 -0.0043798 -0.0248 -0.7709 -0.7665 3554563 ACon1_002148 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43CO)OC(=O)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L13 compound treatment 0.041 0.029374 0.1531 0.13 0.10973 0.6098 0.114 0.09162 0.5181 0.7396 0.9078 3559438 ACon1_002149 CC(C)CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L14 compound treatment 0.157 0.14537 0.7577 -0.179 -0.19927 -1.1074 -0.197 -0.21938 -1.2406 -0.9182 -0.5024 3559513 ACon1_002150 C[C@]1(C[C@]23CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L15 mock treatment -0.184 -0.19563 -1.0196 0.062 0.04173 0.2319 -0.04 -0.06238 -0.3528 -0.6585 -0.5967 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L16 mock treatment 0.052 0.040374 0.2104 0.113 0.09273 0.5153 0.013 -0.0093798 -0.053 0.3884 0.6946 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L17 compound treatment 0.086 0.074374 0.3877 0.109 0.08873 0.4931 -0.037 -0.05938 -0.3358 0.3146 0.4422 3173755 ACon1_002151 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L18 compound treatment 0.207 0.19537 1.0183 0.195 0.17473 0.971 0.279 0.25662 1.4512 1.9864 0.9827 3553165 ACon1_002152 CC#CC#C/C=C\1/OC2(OC=CC2OC(=O)C=C(C)C)C=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L19 compound treatment 0.113 0.10137 0.5284 0.155 0.13473 0.7487 0.098 0.07562 0.4276 0.9842 0.9733 3616420 ACon1_002153 COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L20 compound treatment -0.032 -0.043626 -0.2274 -0.176 -0.19627 -1.0907 0.075 0.05262 0.2976 -0.5892 -0.5109 3557450 ACon1_002154 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L21 compound treatment -0.305 -0.31663 -1.6503 0.019 -0.00127 -0.0071 -0.046 -0.06838 -0.3867 -1.1802 -0.6962 1023016 ACon1_002155 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L22 compound treatment -0.121 -0.13263 -0.6913 -0.07 -0.09027 -0.5016 0.029 0.0066202 0.0374 -0.6671 -0.7803 3557458 ACon1_002156 C[C@@]12CCC3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L23 mock treatment 0.031 0.019374 0.101 -0.022 -0.04227 -0.2349 0.089 0.06662 0.3767 0.1402 0.3079 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 L24 mock treatment -0.096 -0.10763 -0.561 -0.118 -0.13827 -0.7684 0.006 -0.01638 -0.0926 -0.821 -0.8589 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M01 compound treatment 0.331 0.31937 1.6647 0.109 0.08873 0.4931 0.145 0.12262 0.6934 1.6461 0.8805 3555864 ACon1_002157 OC(=O)CCCCCCCC(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M02 compound treatment -0.028 -0.039626 -0.2065 -0.014 -0.03427 -0.1904 0.08 0.05762 0.3259 -0.0411 -0.0954 3616422 ACon1_002158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M03 compound treatment -0.013 -0.024626 -0.1284 0.039 0.01873 0.1041 0.097 0.07462 0.422 0.2296 0.5067 3557282 ACon1_002159 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc4c3=O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M04 compound treatment 0.05 0.038374 0.2 0.107 0.08673 0.482 0.182 0.15962 0.9027 0.9149 0.8775 3553312 ACon1_002160 CC(=O)NC1CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC1=O)NC(=O)C)NC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M05 compound treatment 0.006 -0.0056255 -0.0293 0.024 0.00373 0.0207 0.013 -0.0093798 -0.053 -0.0356 -0.5556 3553564 ACon1_002161 CC(C)c1cc2C(O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C34)c2c(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M06 compound treatment 0.0 -0.011626 -0.0606 -0.096 -0.11627 -0.6461 0.101 0.07862 0.4446 -0.1513 -0.1924 3616424 ACon1_002162 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M07 compound treatment -0.157 -0.16863 -0.8789 0.059 0.03873 0.2152 0.195 0.17262 0.9762 0.1804 0.1356 3616426 ACon1_002163 CC1CC(=O)C2C(O)(C1)CC(O)C34OC4c5c(O)cccc5C(=O)C23O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M08 compound treatment -0.045 -0.056626 -0.2951 0.067 0.04673 0.2597 0.146 0.12362 0.6991 0.3832 0.4777 3616427 ACon1_002164 CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M09 mock treatment 0.018 0.0063745 0.0332 0.024 0.00373 0.0207 -0.02 -0.04238 -0.2397 -0.1072 -0.4415 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M10 mock treatment 0.114 0.10237 0.5336 0.006 -0.01427 -0.0793 -0.006 -0.02838 -0.1605 0.1696 0.3014 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M11 compound treatment -0.081 -0.092626 -0.4828 0.154 0.13373 0.7432 -0.012 -0.03438 -0.1944 0.0381 0.042 3616429 ACon1_002165 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M12 compound treatment -0.067 -0.078626 -0.4098 0.076 0.05573 0.3097 0.083 0.06062 0.3428 0.1401 0.2269 3616431 ACon1_002166 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M13 mock treatment -0.068 -0.079626 -0.415 0.094 0.07373 0.4097 0.058 0.03562 0.2014 0.1132 0.1835 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M14 mock treatment -0.007 -0.018626 -0.0971 0.014 -0.00627 -0.0348 -0.014 -0.03638 -0.2057 -0.1949 -0.8471 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M15 compound treatment -0.006 -0.017626 -0.0919 0.051 0.03073 0.1708 0.055 0.03262 0.1845 0.1521 0.5681 3616433 ACon1_002167 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C(O)CC7(C(O)CC65C)C(=O)O)C3(C)C)OC2CO)C(O)C(OC8OCC(O)C(O)C8O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M16 compound treatment 0.056 0.044374 0.2313 0.302 0.28173 1.5656 0.007 -0.01538 -0.087 0.9872 0.6229 3616434 ACon1_002168 CC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(/C=C\NC(=O)[C@H](Cc4ccccc4)NC(=O)C21)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M17 compound treatment 0.093 0.081374 0.4241 0.142 0.12173 0.6765 0.165 0.14262 0.8065 1.1011 0.9702 3616436 ACon1_002169 CC1(CO)CC(=O)CC2(C)C1CCC3=C2COC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M18 compound treatment 0.024 0.012374 0.0645 0.155 0.13473 0.7487 0.16 0.13762 0.7783 0.9188 0.8493 3554069 ACon1_002170 CC1CCC2C(C)(C)C(=O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M19 compound treatment 0.825 0.81337 4.2395 0.024 0.00373 0.0207 0.138 0.11562 0.6539 2.8371 0.6614 3616437 ACon1_002171 CCCc1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M20 compound treatment 0.03 0.018374 0.0958 0.09 0.06973 0.3875 0.118 0.09562 0.5408 0.5912 0.8796 3555795 ACon1_002172 O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc5ccccc15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M21 compound treatment 0.146 0.13437 0.7004 0.082 0.06173 0.343 0.101 0.07862 0.4446 0.8591 0.957 3616438 ACon1_002173 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccc(O)cc2)O[C@@H](Oc3ccc(O)cc3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M22 compound treatment 0.057 0.045374 0.2365 0.101 0.08073 0.4486 -0.006 -0.02838 -0.1605 0.3029 0.5694 3554747 ACon1_002174 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(OC)c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M23 compound treatment 0.009 -0.0026255 -0.0137 0.108 0.08773 0.4875 0.049 0.02662 0.1505 0.3605 0.7063 3554983 ACon1_002175 COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 M24 compound treatment 0.258 0.24637 1.2842 0.562 0.54173 3.0105 0.297 0.27462 1.553 3.3762 0.9319 3616440 ACon1_002176 Oc1ccc(CCCCC(=O)CCc2ccc(O)c(O)c2)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N01 compound treatment -0.046 -0.057626 -0.3004 -0.021 -0.04127 -0.2293 -0.007 -0.02938 -0.1661 -0.4017 -0.9732 3616441 ACon1_002177 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N02 compound treatment 0.019 0.0073745 0.0384 0.013 -0.00727 -0.0404 0.185 0.16262 0.9196 0.5298 0.5751 3557494 ACon1_002178 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N03 compound treatment -0.114 -0.12563 -0.6548 0.117 0.09673 0.5375 0.114 0.09162 0.5181 0.2315 0.2331 3616443 ACon1_002179 C[C@@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@H](OC(=O)C(=C)CO)[C@@H]3[C@@H]2OC(=O)C3=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N04 compound treatment 0.629 0.61737 3.2179 0.013 -0.00727 -0.0404 -0.049 -0.07138 -0.4037 1.6015 0.4938 3553392 ACon1_002180 CC(=O)OCC#Cc1ccc(s1)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N05 compound treatment -0.16 -0.17163 -0.8946 0.098 0.07773 0.432 -0.062 -0.08438 -0.4772 -0.5426 -0.4923 3616445 ACon1_002181 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N06 compound treatment -0.161 -0.17263 -0.8998 0.006 -0.01427 -0.0793 0.095 0.07262 0.4107 -0.3282 -0.3307 3559417 ACon1_002182 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=CC[C@@H]12)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N07 compound treatment 0.0 -0.011626 -0.0606 0.122 0.10173 0.5653 -0.12 -0.14238 -0.8052 -0.1735 -0.176 3616447 ACon1_002183 CNc1ccccc1C(=O)OC2OC(C)C(O)C(O)C2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N08 compound treatment -0.214 -0.22563 -1.176 -0.013 -0.03327 -0.1849 -0.073 -0.09538 -0.5394 -1.0971 -0.8395 3559635 ACon1_002184 CC(=CC(O)C/C(=C\CCC(C)(O)C=C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N09 mock treatment -0.06 -0.071626 -0.3733 -0.06 -0.08027 -0.4461 0.132 0.10962 0.6199 -0.1152 -0.1355 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N10 mock treatment -0.237 -0.24863 -1.2959 0.038 0.01773 0.0985 -0.173 -0.19538 -1.1049 -1.3292 -0.7792 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N11 compound treatment 0.07 0.058374 0.3043 0.096 0.07573 0.4208 0.024 0.0016202 0.0092 0.4239 0.8162 3616448 ACon1_002185 CCC[C@@H](O)[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N12 compound treatment -0.131 -0.14263 -0.7434 0.019 -0.00127 -0.0071 -0.024 -0.04638 -0.2623 -0.5847 -0.7417 3558517 ACon1_002186 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N13 mock treatment 0.007 -0.0046255 -0.0241 0.045 0.02473 0.1374 0.034 0.01162 0.0657 0.1034 0.6702 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N14 mock treatment 0.081 0.069374 0.3616 -0.02 -0.04027 -0.2238 0.02 -0.0023798 -0.0135 0.0718 0.1687 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N15 compound treatment -0.006 -0.017626 -0.0919 0.104 0.08373 0.4653 0.075 0.05262 0.2976 0.3874 0.6919 3557442 ACon1_002187 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N16 compound treatment 0.329 0.31737 1.6542 0.147 0.12673 0.7043 -0.042 -0.06438 -0.3641 1.1515 0.6277 3552715 ACon1_002188 C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N17 compound treatment -0.16 -0.17163 -0.8946 0.03 0.00973 0.0541 -0.043 -0.06538 -0.3697 -0.6987 -0.7207 3557445 ACon1_002189 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N18 compound treatment 0.0 -0.011626 -0.0606 -0.081 -0.10127 -0.5628 -0.013 -0.03538 -0.2001 -0.4754 -0.7919 3559502 ACon1_002190 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N19 compound treatment 0.018 0.0063745 0.0332 -0.029 -0.04927 -0.2738 -0.144 -0.16638 -0.9409 -0.6821 -0.6957 3559390 ACon1_002191 Oc1ccc2C(=O)C(C(Oc2c1)c3ccc(O)c(O)c3)C4C(Oc5cc(O)ccc5C4=O)c6ccc(O)c(O)c6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N20 compound treatment -0.137 -0.14863 -0.7747 -0.07 -0.09027 -0.5016 -0.006 -0.02838 -0.1605 -0.8295 -0.8855 3559784 ACon1_002192 O=C1/C(=C/2\Nc3ccccc3C2=O)/Nc4ccccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N21 compound treatment -0.2 -0.21163 -1.103 -0.387 -0.40727 -2.2633 -0.093 -0.11538 -0.6525 -2.3203 -0.8921 1090111 ACon1_002193 CC(=C)C1Cc2cc(ccc2O1)C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N22 compound treatment 0.0 -0.011626 -0.0606 0.128 0.10773 0.5987 0.025 0.0026202 0.0148 0.3192 0.5303 3557455 ACon1_002194 C[C@@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N23 compound treatment 0.154 0.14237 0.7421 -0.075 -0.09527 -0.5294 -0.092 -0.11438 -0.6468 -0.2507 -0.2243 3553947 ACon1_002195 CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 N24 compound treatment -0.012 -0.023626 -0.1231 0.055 0.03473 0.193 -0.018 -0.04038 -0.2284 -0.0915 -0.283 1737132 ACon1_002196 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O01 compound treatment 0.073 0.061374 0.3199 -0.195 -0.21527 -1.1963 -0.102 -0.12438 -0.7034 -0.9121 -0.6404 3554295 ACon1_002197 CCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O02 compound treatment 0.081 0.069374 0.3616 0.019 -0.00127 -0.0071 0.025 0.0026202 0.0148 0.2132 0.5891 3616449 ACon1_002198 CC1C(O)C=C2[C@@H](CC[C@@]3(O)[C@](C)([C@H](O)CC[C@]23C)C(=O)O)[C@H]1C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O03 compound treatment 0.054 0.042374 0.2209 0.095 0.07473 0.4153 0.105 0.08262 0.4672 0.637 0.9609 3558022 ACon1_002199 C/C/1=C\[C@H](O)C2[C@H](OC(=O)C2=C)/C=C(\CO)/CCC1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O04 compound treatment -0.105 -0.11663 -0.6079 0.266 0.24573 1.3656 0.245 0.22262 1.259 1.1643 0.5958 3616451 ACon1_002200 CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(=O)C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O05 compound treatment 0.899 0.88737 4.6252 1.651 1.6307 6.9224 1.736 1.7136 7.1834 10.8144 0.9835 3616452 ACon1_002201 CCC/C=C/C(=O)OC1C(O)C2(C(O)OC34CCC5C6(C)CCC(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C7OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(C)(C)C6CCC5(C)C4(C)CC2OC(=O)C)C3CC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O06 compound treatment -0.217 -0.22863 -1.1917 -0.131 -0.15127 -0.8406 0.228 0.20562 1.1628 -0.502 -0.2691 3616299 ACon1_002202 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O07 compound treatment 0.156 0.14437 0.7525 0.267 0.24673 1.3711 0.168 0.14562 0.8235 1.7015 0.9626 3616454 ACon1_002203 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O08 compound treatment -0.105 -0.11663 -0.6079 0.006 -0.01427 -0.0793 0.164 0.14162 0.8009 0.0656 0.0651 3616455 ACon1_002204 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C5C4C=CC(=O)C5(O)C(=O)OCc6cccc(O)c6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O09 compound treatment -0.022 -0.033626 -0.1753 0.275 0.25473 1.4156 0.207 0.18462 1.0441 1.3189 0.7461 3616458 ACon1_002205 COc1cc(O)c(C(=O)c2c(O)cc(C)cc2O)c(c1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O10 compound treatment -0.067 -0.078626 -0.4098 -0.087 -0.10727 -0.5961 -0.037 -0.05938 -0.3358 -0.7747 -0.9713 1063449 ACon1_002206 COc1c(C)c(OCC=C(C)C)cc(CO)c1CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O11 mock treatment -0.08 -0.091626 -0.4776 0.081 0.06073 0.3375 0.031 0.0086202 0.0487 -0.0527 -0.0899 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O12 mock treatment 0.039 0.027374 0.1427 0.063 0.04273 0.2375 -0.038 -0.06038 -0.3415 0.0223 0.0508 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O13 compound treatment 0.074 0.062374 0.3251 0.019 -0.00127 -0.0071 0.09 0.06762 0.3824 0.4044 0.8056 3616460 ACon1_002207 C[C@H](CO)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)/CC/C=C(\C)/CC[C@H](O)\C(=C\C[C@H]12)\C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O14 compound treatment 0.081 0.069374 0.3616 0.013 -0.00727 -0.0404 0.059 0.03662 0.2071 0.305 0.7285 3616463 ACon1_002208 OC[C@H]1O[C@@H](OC2OC=C3C(CC4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O15 compound treatment 0.126 0.11437 0.5961 -0.039 -0.05927 -0.3294 0.14 0.11762 0.6652 0.5381 0.5652 3616464 ACon1_002209 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C8CC7(C(O)CC65C)C(=O)O8)C3(C)C)OC2CO)C(O)C(OC9OCC(O)C(O)C9O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O16 compound treatment -0.012 -0.023626 -0.1231 0.119 0.09873 0.5487 0.152 0.12962 0.733 0.6689 0.724 3616465 ACon1_002210 COC1OC2C(c3ccc4OCOc4c13)[N+](C)([O-])CCc5cc6OCOc6cc25 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O17 compound treatment 0.335 0.32337 1.6855 0.343 0.32273 1.7935 0.284 0.26162 1.4795 2.8628 0.9969 3616466 ACon1_002211 CCC(C)C(O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O18 compound treatment 0.023 0.011374 0.0593 0.151 0.13073 0.7265 0.39 0.36762 2.079 1.654 0.7508 3616469 ACon1_002212 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O19 compound treatment 0.037 0.025374 0.1323 0.196 0.17573 0.9766 0.36 0.33762 1.9093 1.7425 0.811 3616471 ACon1_002213 CC(C)CC1NC(=O)C2(O)C1C(C)C(=CC2/C=C(\C)/CCC(O)C(O)/C=C/C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O20 compound treatment 0.289 0.27737 1.4457 0.198 0.17773 0.9877 0.262 0.23962 1.3551 2.1873 0.9879 3554660 ACon1_002214 COC(=O)C1(Cc2ccc(O)c(CC3OC3(C)C)c2)OC(=O)C(=C1c4ccc(O)cc4)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O21 compound treatment 0.017 0.0053745 0.028 0.345 0.32473 1.8046 0.132 0.10962 0.6199 1.416 0.742 3616474 ACon1_002215 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(OC3OCC(O)C(O)C3O)[C@@]4(C)C5CC[C@@H]6[C@]7(C[C@@]57CC(O)[C@]24C)CC[C@H](O[C@@H]8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C6(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O22 compound treatment 0.13 0.11837 0.617 0.117 0.09673 0.5375 0.341 0.31862 1.8019 1.7069 0.8625 3558516 ACon1_002216 COC(=O)C(C(O)c1ccc(O)c(OC)c1)C(CO)Cc2ccc(O)c(OC)c2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O23 compound treatment -0.006 -0.017626 -0.0919 0.205 0.18473 1.0266 0.25 0.22762 1.2872 1.2828 0.7779 3616477 ACon1_002217 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)c(C(=O)NCCc3ccc(O)c(O)c3)c(O)c2C)C1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 O24 compound treatment 0.058 0.046374 0.2417 -0.145 -0.16527 -0.9184 0.119 0.09662 0.5464 -0.0752 -0.0687 3616478 ACon1_002218 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(=O)OC4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P01 compound treatment -0.007 -0.018626 -0.0971 0.0 -0.02027 -0.1126 0.019 -0.0033798 -0.0191 -0.1321 -0.8812 3616479 ACon1_002219 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)CCc4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P02 compound treatment -0.123 -0.13463 -0.7017 0.054 0.03373 0.1874 0.072 0.04962 0.2806 -0.1349 -0.1732 3559761 ACon1_002220 CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P03 compound treatment -0.007 -0.018626 -0.0971 0.073 0.05273 0.293 0.0 -0.02238 -0.1266 0.0401 0.1201 3616481 ACon1_002221 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@@H]31 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P04 compound treatment -0.238 -0.24963 -1.3011 -0.065 -0.08527 -0.4739 -0.215 -0.23738 -1.3424 -1.7998 -0.9332 3559446 ACon1_002222 COc1cc2OC(C)(C)C=Cc2cc1C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P05 compound treatment -0.167 -0.17863 -0.931 0.007 -0.01327 -0.0737 0.188 0.16562 0.9366 -0.0394 -0.0298 3558885 ACon1_002223 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@@H]3N[C@@H](Cc4c3[nH]c5ccccc45)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P06 compound treatment -0.052 -0.063626 -0.3316 -0.038 -0.05827 -0.3238 0.124 0.10162 0.5747 -0.0466 -0.0632 3558178 ACon1_002224 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P07 compound treatment 0.013 0.0013745 0.0072 0.216 0.19573 1.0877 -0.016 -0.03838 -0.217 0.5068 0.4569 3558887 ACon1_002225 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P08 compound treatment -0.062 -0.073626 -0.3838 -0.101 -0.12127 -0.6739 -0.237 -0.25938 -1.4668 -1.4575 -0.8784 3559717 ACon1_002226 CC1(C)CC(=O)c2ccc(O)cc2O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P09 compound treatment -0.099 -0.11063 -0.5766 0.006 -0.01427 -0.0793 -0.132 -0.15438 -0.873 -0.8827 -0.8413 3559894 ACon1_002227 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@]43C)C12)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P10 compound treatment 0.029 0.017374 0.0906 0.047 0.02673 0.1485 0.094 0.07162 0.405 0.3719 0.8436 3557753 ACon1_002228 CC(O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P11 mock treatment -0.153 -0.16463 -0.8581 -0.028 -0.04827 -0.2682 -0.05 -0.07238 -0.4093 -0.8866 -0.8975 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P12 mock treatment -0.065 -0.076626 -0.3994 -0.14 -0.16027 -0.8906 -0.018 -0.04038 -0.2284 -0.8766 -0.8745 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P13 compound treatment -0.038 -0.049626 -0.2587 0.011 -0.00927 -0.0515 -0.099 -0.12138 -0.6864 -0.5754 -0.7825 3552932 ACon1_002229 C[C@H](CCCC(C)(C(=O)O)C(=O)O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P14 compound treatment -0.034 -0.045626 -0.2378 0.059 0.03873 0.2152 0.172 0.14962 0.8461 0.4755 0.5255 3553129 ACon1_002230 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1C=CC3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P15 compound treatment -0.136 -0.14763 -0.7695 -0.235 -0.25527 -1.4186 -0.069 -0.09138 -0.5168 -1.5616 -0.9216 346 ACon1_002231 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P16 compound treatment 0.087 0.075374 0.3929 -0.078 -0.09827 -0.5461 0.127 0.10462 0.5916 0.2531 0.2825 3552697 ACon1_002232 C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2(O)CO)C3(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P17 compound treatment 0.227 0.21537 1.1226 0.081 0.06073 0.3375 -0.069 -0.09138 -0.5168 0.5446 0.4251 3557610 ACon1_002233 O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccc(O)cc2)[C@H](Oc3ccc(O)cc3)O[C@@H]1COC(=O)CC(=O)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P18 compound treatment -0.173 -0.18463 -0.9623 -0.16 -0.18027 -1.0018 -0.151 -0.17338 -0.9805 -1.7001 -0.9999 3559496 ACon1_002234 COC(=O)C[C@H](C)CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P19 compound treatment -0.079 -0.090626 -0.4724 0.057 0.03673 0.2041 0.067 0.04462 0.2523 -0.0092 -0.016 3554682 ACon1_002235 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@@H]64)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P20 compound treatment -0.11 -0.12163 -0.6339 -0.018 -0.03827 -0.2127 0.111 0.08862 0.5012 -0.1994 -0.2387 3557448 ACon1_002236 C[C@@]12CCC3[C@@H](CCc4cc(O)ccc34)C2CC[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P21 compound treatment -0.186 -0.19763 -1.0301 -0.124 -0.14427 -0.8017 0.011 -0.01138 -0.0644 -1.0947 -0.8377 3559463 ACon1_002237 C/C(=C\CCC(C)(O)C=C)/CCC(O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P22 compound treatment 0.082 0.070374 0.3668 0.272 0.25173 1.3989 0.078 0.05562 0.3145 1.201 0.8115 3557457 ACon1_002238 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P23 compound treatment -0.013 -0.024626 -0.1284 -0.187 -0.20727 -1.1518 -0.259 -0.28138 -1.5913 -1.6578 -0.8421 3559434 ACon1_002239 CCCCCCCCCCCC=C=CCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2296 P24 compound treatment -0.076 -0.087626 -0.4567 -0.157 -0.17727 -0.9851 -0.13 -0.15238 -0.8617 -1.33 -0.9594 3559647 ACon1_002240 COc1ccc2C(=O)/C(=C/c3ccccc3)/Oc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A01 compound treatment -0.014 -0.025626 -0.1336 0.021 7.2998E-4 0.0041 0.064 0.04162 0.2354 0.0611 0.2258 3552712 ACon1_002241 C[C@@H]1CCC/C=C/[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A02 compound treatment 0.086 0.074374 0.3877 0.1 0.07973 0.4431 0.0 -0.02238 -0.1266 0.4066 0.6751 3559403 ACon1_002242 O=CNCCc1c[nH]c2ccccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A03 compound treatment -0.007 -0.018626 -0.0971 0.013 -0.00727 -0.0404 -0.071 -0.09338 -0.5281 -0.3843 -0.7136 1060832 ACon1_002243 OCC(Cc1ccccc1)NC(=O)c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A04 compound treatment 0.025 0.013374 0.0697 0.013 -0.00727 -0.0404 -0.087 -0.10938 -0.6186 -0.3402 -0.5454 3555658 ACon1_002244 O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A05 compound treatment 0.132 0.12037 0.6274 -0.042 -0.06227 -0.346 -0.076 -0.09838 -0.5564 -0.1588 -0.175 3554875 ACon1_002245 COc1cc(ccc1O)[C@H]2[C@H]3COC4(O)[C@H]3C(=CC2C4=O)[C@H]5Oc6cc(O)cc(O)c6C(=O)[C@@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A06 compound treatment -0.079 -0.090626 -0.4724 0.016 -0.00427 -0.0237 -0.012 -0.03438 -0.1944 -0.3987 -0.7796 1032994 ACon1_002246 O=C1CC(Oc2ccccc12)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A07 compound treatment 0.071 0.059374 0.3095 0.116 0.09573 0.532 0.138 0.11562 0.6539 0.8633 0.9614 3559373 ACon1_002247 C/C=C(\C)/C(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](C)[C@](C)(CC(=O)c2ccoc2)C3CCC=C(C)[C@]13C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A08 compound treatment -0.055 -0.066626 -0.3473 0.038 0.01773 0.0985 -0.051 -0.07338 -0.415 -0.3832 -0.6967 3557592 ACon1_002248 CC1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(C)(O)CCC12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A09 compound treatment 0.037 0.025374 0.1323 0.239 0.21873 1.2155 0.22 0.19762 1.1176 1.4234 0.8593 3559707 ACon1_002249 COc1ccc2C=C(COc2c1)c3cc(O)c(O)cc3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A10 compound treatment -0.036 -0.047626 -0.2482 0.047 0.02673 0.1485 0.146 0.12362 0.6991 0.3461 0.4574 3559278 ACon1_002250 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A11 compound treatment -0.085 -0.096626 -0.5036 0.032 0.01173 0.0652 -0.006 -0.02838 -0.1605 -0.3458 -0.6493 3559492 ACon1_002251 C[C@@H]1CCC2C(=CC(=O)CC2(C)C)[C@@]1(C)CC/C(=C/CO)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A12 compound treatment 0.118 0.10637 0.5544 0.098 0.07773 0.432 -0.056 -0.07838 -0.4433 0.3136 0.3774 3616487 ACon1_002252 CC1OC(=O)CC2C(=CC3CC(C)(C)CC321)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A13 mock treatment 0.036 0.024374 0.127 -0.054 -0.07427 -0.4127 -0.118 -0.14038 -0.7939 -0.6233 -0.6897 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A14 mock treatment -0.021 -0.032626 -0.1701 -0.007 -0.02727 -0.1515 -0.108 -0.13038 -0.7373 -0.6114 -0.7922 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A15 compound treatment 0.196 0.18437 0.961 -0.019 -0.03927 -0.2182 0.06 0.03762 0.2127 0.5517 0.5472 3616488 ACon1_002253 CON1c2ccccc2[C@]3(C=C(OC)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@@]143)C(C)(C)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A16 compound treatment 0.025 0.013374 0.0697 0.102 0.08173 0.4542 0.278 0.25562 1.4456 1.1371 0.7496 1637425 ACon1_002254 Cc1cc(O)c(Cc2c(O)cc(C)oc2=O)c(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A17 compound treatment -0.012 -0.023626 -0.1231 0.072 0.05173 0.2875 -0.074 -0.09638 -0.545 -0.2198 -0.3498 3558320 ACon1_002255 COc1cc(/C=C/C(=O)NCCCCNC(=O)C)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A18 compound treatment -0.134 -0.14563 -0.759 0.049 0.02873 0.1597 0.118 0.09562 0.5408 -0.0338 -0.0358 3553473 ACon1_002256 CC(C)(O)C1=CCC2(COC3C2)C1CCC3(O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A19 compound treatment -0.038 -0.049626 -0.2587 0.176 0.15573 0.8654 0.323 0.30062 1.7001 1.3318 0.6918 3558714 ACon1_002257 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc2c1)c5ccc(O)cc5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A20 compound treatment 0.024 0.012374 0.0645 -0.173 -0.19327 -1.074 0.169 0.14662 0.8292 -0.1041 -0.0767 3616491 ACon1_002258 COc1cc(oc(=O)c1C)/C(=C/C(=C\C(=O)O)/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A21 compound treatment 1.284 1.2724 5.8399 2.22 2.1997 7.7607 1.947 1.9246 7.5172 12.1924 0.9927 3559881 ACon1_002259 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A22 compound treatment 0.0 -0.011626 -0.0606 0.124 0.10373 0.5764 0.024 0.0016202 0.0092 0.3031 0.5229 3616494 ACon1_002260 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=C[C@@]78OC[C@@]9(CCC(C)(C)C[C@H]98)[C@@H](O)C[C@]76C)[C@]4(C)CO)[C@@H]3O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A23 compound treatment 0.158 0.14637 0.7629 0.276 0.25573 1.4211 0.142 0.11962 0.6765 1.6515 0.9442 3552806 ACon1_002261 C[C@@H]1O[C@@H](OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 A24 compound treatment 0.123 0.11137 0.5805 0.093 0.07273 0.4042 0.039 0.01662 0.094 0.6228 0.8728 1062887 ACon1_002262 CC1C(=O)c2cc3OCOc3cc2CCN(C)Cc4c5OCOc5ccc14 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B01 compound treatment -0.046 -0.057626 -0.3004 0.143 0.12273 0.682 0.132 0.10962 0.6199 0.5783 0.5965 1047225 ACon1_002263 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B02 mock treatment -0.107 -0.11863 -0.6183 0.063 0.04273 0.2375 -0.035 -0.05738 -0.3245 -0.4072 -0.5521 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B03 compound treatment 0.058 0.046374 0.2417 -0.042 -0.06227 -0.346 0.116 0.09362 0.5294 0.2454 0.3625 3559335 ACon1_002264 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B04 mock treatment -0.026 -0.037626 -0.1961 -0.147 -0.16727 -0.9295 -0.056 -0.07838 -0.4433 -0.9058 -0.8641 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B05 compound treatment -0.255 -0.26663 -1.3897 0.074 0.05373 0.2986 0.161 0.13862 0.7839 -0.1774 -0.1093 3616499 ACon1_002265 CO[C@@H]1[C@H](Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C1=O)c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B06 mock treatment 0.05 0.038374 0.2 0.084 0.06373 0.3542 -0.084 -0.10638 -0.6016 -0.0274 -0.0377 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B07 compound treatment 0.038 0.026374 0.1375 0.16 0.13973 0.7765 0.056 0.03362 0.1901 0.6375 0.7858 3616501 ACon1_002266 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)cc2)C(=O)O)OC(=O)/C=C/c3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B08 mock treatment 0.164 0.15237 0.7942 0.114 0.09373 0.5209 0.071 0.04862 0.275 0.918 0.9284 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B09 compound treatment 0.117 0.10537 0.5492 0.239 0.21873 1.2155 0.113 0.09062 0.5125 1.3148 0.9201 3616503 ACon1_002267 COC(=O)[C@]12O[C@@H]2[C@@H](C[C@H]3[C@]4(C)C[C@H](OC(=O)[C@H]4CC[C@]31C)c5ccoc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B10 mock treatment -0.164 -0.17563 -0.9154 0.066 0.04573 0.2541 -0.127 -0.14938 -0.8448 -0.8695 -0.684 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B11 compound treatment 0.121 0.10937 0.5701 0.304 0.28373 1.5767 0.193 0.17062 0.9649 1.7965 0.9287 3616506 ACon1_002268 OC1C(O)C2C(C(C1C=C2/C=C/C(=O)O)c3ccc(O)c(O)c3)C(=O)OC(Cc4ccc(O)c(O)c4)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B12 mock treatment 0.19 0.17837 0.9297 0.078 0.05773 0.3208 -0.087 -0.10938 -0.6186 0.3649 0.314 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B13 mock treatment 0.027 0.015374 0.0801 0.014 -0.00627 -0.0348 0.112 0.08962 0.5068 0.3188 0.6198 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B14 mock treatment 0.026 0.014374 0.0749 -0.007 -0.02727 -0.1515 0.065 0.04262 0.241 0.0949 0.3224 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B15 compound treatment -0.2 -0.21163 -1.103 0.0 -0.02027 -0.1126 -0.007 -0.02938 -0.1661 -0.7978 -0.7116 3558465 ACon1_002269 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)cc6)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B16 mock treatment -0.108 -0.11963 -0.6235 0.341 0.32073 1.7823 0.079 0.05662 0.3202 0.8539 0.4459 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B17 compound treatment -0.053 -0.064626 -0.3368 0.134 0.11373 0.632 0.121 0.09862 0.5577 0.4924 0.5425 3555288 ACon1_002270 COc1ccc2CC3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2C54CCN3C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B18 mock treatment 0.092 0.080374 0.4189 0.006 -0.01427 -0.0793 0.045 0.02262 0.1279 0.2699 0.6064 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B19 compound treatment -0.012 -0.023626 -0.1231 0.112 0.09173 0.5098 -0.01 -0.03238 -0.1831 0.1175 0.2115 3559140 ACon1_002271 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B20 mock treatment -0.216 -0.22763 -1.1864 -0.006 -0.02627 -0.146 -0.168 -0.19038 -1.0766 -1.3909 -0.8646 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B21 compound treatment -0.13 -0.14163 -0.7382 -0.082 -0.10227 -0.5683 0.025 0.0026202 0.0148 -0.7458 -0.8004 3559603 ACon1_002272 CC1(C)CCCC2C3(C)CCC(C)(CC3CCC21O)C(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B22 mock treatment -0.405 -0.41663 -2.1716 0.108 0.08773 0.4875 -0.027 -0.04938 -0.2793 -1.1335 -0.5053 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B23 compound treatment 0.072 0.060374 0.3147 0.241 0.22073 1.2266 -0.043 -0.06538 -0.3697 0.6764 0.5127 3558670 ACon1_002273 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 B24 mock treatment 0.061 0.049374 0.2574 0.052 0.03173 0.1763 0.006 -0.01638 -0.0926 0.1969 0.6051 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C01 compound treatment -0.119 -0.13063 -0.6809 0.062 0.04173 0.2319 -0.111 -0.13338 -0.7543 -0.6947 -0.6665 3557715 ACon1_002274 OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C02 compound treatment -0.253 -0.26463 -1.3793 -0.067 -0.08727 -0.485 -0.154 -0.17638 -0.9975 -1.6522 -0.9335 3559945 ACon1_002275 OC[C@H]1O[C@@H](OC(C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C03 compound treatment 0.634 0.62237 3.244 0.816 0.79573 4.422 0.933 0.91062 5.1497 7.3991 0.9835 3558659 ACon1_002276 CC(C)(O)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C04 compound treatment 0.065 0.053374 0.2782 0.251 0.23073 1.2822 0.181 0.15862 0.897 1.4188 0.8927 3553732 ACon1_002277 CC(NC(=O)/C=C/C(=O)O)C(=O)NC(C(C)c1c[nH]c2ccccc12)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C05 compound treatment 0.097 0.085374 0.445 0.042 0.02173 0.1208 0.085 0.06262 0.3541 0.5311 0.9135 3553321 ACon1_002278 CC(=O)O[C@@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)C2[C@H](OC(=O)C2=C)/C=C1/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C06 compound treatment 0.012 3.7448E-4 0.002 0.117 0.09673 0.5375 -0.031 -0.05338 -0.3019 0.1372 0.2225 3616509 ACon1_002279 CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C07 compound treatment 0.723 0.71137 3.7079 0.284 0.26373 1.4656 0.27 0.24762 1.4003 3.7954 0.8982 3554995 ACon1_002280 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C08 compound treatment 0.124 0.11237 0.5857 0.17 0.14973 0.8321 0.223 0.20062 1.1345 1.4736 0.9669 3554703 ACon1_002281 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C09 compound treatment -0.272 -0.28363 -1.4783 -0.005 -0.02527 -0.1404 -0.047 -0.06938 -0.3924 -1.1611 -0.756 3559543 ACon1_002282 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3CC2C(=C)CC[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C10 compound treatment -0.032 -0.043626 -0.2274 0.054 0.03373 0.1874 0.127 0.10462 0.5916 0.3185 0.4819 2107842 ACon1_002283 C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H](CC(C)(C)C5=O)[C@](C)(C4OC(=O)C)[C@H]2OC(=O)C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C11 mock treatment 0.011 -6.2552E-4 -0.0033 0.006 -0.01427 -0.0793 0.038 0.01562 0.0883 0.0033 0.0281 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C12 mock treatment 0.058 0.046374 0.2417 -0.077 -0.09727 -0.5405 0.044 0.02162 0.1223 -0.1019 -0.1686 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C13 compound treatment 0.09 0.078374 0.4085 0.093 0.07273 0.4042 -0.155 -0.17738 -1.0031 -0.1099 -0.0951 3554771 ACon1_002284 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C14 compound treatment -0.184 -0.19563 -1.0196 0.0 -0.02027 -0.1126 0.019 -0.0033798 -0.0191 -0.6648 -0.6479 3616510 ACon1_002285 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C15 mock treatment 0.122 0.11037 0.5753 0.174 0.15373 0.8543 0.175 0.15262 0.8631 1.3237 0.9851 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C16 mock treatment 0.12 0.10837 0.5649 0.083 0.06273 0.3486 0.011 -0.01138 -0.0644 0.4902 0.7351 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C17 compound treatment 0.293 0.28137 1.4666 0.088 0.06773 0.3764 0.143 0.12062 0.6821 1.4579 0.8779 3558911 ACon1_002286 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C18 compound treatment -0.355 -0.36663 -1.9109 -0.066 -0.08627 -0.4794 -0.076 -0.09838 -0.5564 -1.7013 -0.831 3559669 ACon1_002287 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCC2=CC(=O)OC2)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C19 compound treatment 0.0 -0.011626 -0.0606 0.195 0.17473 0.971 0.172 0.14962 0.8461 1.0141 0.7865 3555826 ACon1_002288 OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C20 compound treatment 0.108 0.096374 0.5023 0.107 0.08673 0.482 0.335 0.31262 1.7679 1.589 0.8363 3616511 ACon1_002289 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C21 compound treatment -0.015 -0.026626 -0.1388 0.239 0.21873 1.2155 0.088 0.06562 0.3711 0.8359 0.6538 3616514 ACon1_002290 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)OC(=O)/C=C/c3ccc(O)c(O)c3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C22 compound treatment 0.051 0.039374 0.2052 -0.012 -0.03227 -0.1793 0.051 0.02862 0.1619 0.1084 0.342 3616517 ACon1_002291 COC(=O)CC1(C/C=C(\C)/CCC=C(C)C)CC(=O)CCC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C23 compound treatment 0.024 0.012374 0.0645 0.126 0.10573 0.5876 0.033 0.01062 0.0601 0.4111 0.692 3555607 ACon1_002292 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)cc6)c7ccc(O)cc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 C24 compound treatment 0.292 0.28037 1.4614 0.168 0.14773 0.821 0.135 0.11262 0.6369 1.6854 0.9399 3069520 ACon1_002293 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D01 compound treatment -0.032 -0.043626 -0.2274 0.049 0.02873 0.1597 -0.011 -0.03338 -0.1888 -0.1481 -0.4409 3616522 ACon1_002294 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@@]56OC[C@@]7(CCC(C)(C)C[C@H]76)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D02 mock treatment -0.013 -0.024626 -0.1284 -0.018 -0.03827 -0.2127 0.006 -0.01638 -0.0926 -0.2504 -0.9444 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D03 compound treatment -0.041 -0.052626 -0.2743 0.189 0.16873 0.9377 0.166 0.14362 0.8122 0.8519 0.6705 3616525 ACon1_002295 OC[C@H]1O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D04 mock treatment -0.04 -0.051626 -0.2691 -0.041 -0.06127 -0.3405 0.007 -0.01538 -0.087 -0.4022 -0.9086 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D05 compound treatment 0.291 0.27937 1.4562 0.148 0.12773 0.7098 0.16 0.13762 0.7783 1.6999 0.9458 3616527 ACon1_002296 COC(=O)C1=C[C@@H](C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D06 mock treatment -0.02 -0.031626 -0.1648 -0.006 -0.02627 -0.146 0.055 0.03262 0.1845 -0.0729 -0.254 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D07 compound treatment 0.038 0.026374 0.1375 0.072 0.05173 0.2875 0.163 0.14062 0.7952 0.7045 0.8223 3616529 ACon1_002297 CC1OC(OC2C(O)COC(OC3C(O)C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(C)C(O)C(OC%11OCC(O)C(OC%12OCC(OC%13OCC(O)(CO)C%13O)C(O)C%12O)C%11O)C%10O)C(C)(CO)C9CCC8(C)C7(C)CC5O)OC(C)C(O)C4OC%14OCC(O)C(O)C%14O)C3O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D08 mock treatment -0.023 -0.034626 -0.1805 0.066 0.04573 0.2541 -0.027 -0.04938 -0.2793 -0.1187 -0.2836 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D09 compound treatment -0.129 -0.14063 -0.733 -0.005 -0.02527 -0.1404 -0.048 -0.07038 -0.398 -0.7341 -0.8679 3616530 ACon1_002298 CC(C)(O)CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D10 mock treatment 0.011 -6.2552E-4 -0.0033 -0.084 -0.10427 -0.5794 -0.036 -0.05838 -0.3301 -0.527 -0.7903 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D11 mock treatment -0.025 -0.036626 -0.1909 -0.145 -0.16527 -0.9184 -0.077 -0.09938 -0.562 -0.965 -0.8824 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D12 mock treatment 0.061 0.049374 0.2574 0.012 -0.00827 -0.046 0.0 -0.02238 -0.1266 0.049 0.1686 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D13 compound treatment 0.424 0.41237 2.1494 0.455 0.43473 2.4159 -0.053 -0.07538 -0.4263 2.3896 0.7327 3616533 ACon1_002299 CC1(CO)C(OC2OCC(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(=C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D14 mock treatment 0.143 0.13137 0.6848 0.076 0.05573 0.3097 -0.089 -0.11138 -0.6299 0.2105 0.2147 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D15 mock treatment 0.095 0.083374 0.4346 0.15 0.12973 0.7209 0.214 0.19162 1.0836 1.2928 0.9421 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D16 mock treatment -0.118 -0.12963 -0.6756 -0.036 -0.05627 -0.3127 -0.033 -0.05538 -0.3132 -0.7514 -0.9304 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D17 compound treatment -0.173 -0.18463 -0.9623 -0.031 -0.05127 -0.2849 -0.032 -0.05438 -0.3075 -0.8976 -0.8552 3559611 ACon1_002300 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC[C@@]89OC[C@@]%10(CCC(C)(C)CC%109)[C@H](O)C[C@]87C)C5(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D18 mock treatment -0.013 -0.024626 -0.1284 0.012 -0.00827 -0.046 -0.076 -0.09838 -0.5564 -0.4219 -0.7365 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D19 compound treatment -0.04 -0.051626 -0.2691 -0.02 -0.04027 -0.2238 0.698 0.67562 3.8208 1.9214 0.5008 3559413 ACon1_002301 COC(=O)[C@H]1CC[C@H](OC(=O)C)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D20 mock treatment 0.204 0.19237 1.0027 0.042 0.02173 0.1208 0.04 0.01762 0.0996 0.7062 0.6958 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D21 compound treatment -0.05 -0.061626 -0.3212 -0.017 -0.03727 -0.2071 0.013 -0.0093798 -0.053 -0.3357 -0.8699 3559708 ACon1_002302 CC(OC(=O)/C=C(/C)\COC(=O)C)c1ccc(O)c(c1)C(=O)C=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D22 mock treatment -0.042 -0.053626 -0.2795 -0.006 -0.02627 -0.146 -0.026 -0.04838 -0.2736 -0.4036 -0.9668 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D23 compound treatment -0.122 -0.13363 -0.6965 0.006 -0.01427 -0.0793 0.038 0.01562 0.0883 -0.3969 -0.5618 3558805 ACon1_002303 CC1[C@@H]2CCC3(C)OC43C(O)C=C(C)C4[C@H]2OC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 D24 mock treatment -0.201 -0.21263 -1.1083 -0.058 -0.07827 -0.435 0.12 0.09762 0.5521 -0.5722 -0.4361 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E01 mock treatment 0.164 0.15237 0.7942 0.073 0.05273 0.293 -0.075 -0.09738 -0.5507 0.3098 0.3067 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E02 mock treatment -0.022 -0.033626 -0.1753 -0.097 -0.11727 -0.6517 0.12 0.09762 0.5521 -0.1587 -0.182 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E03 compound treatment 0.092 0.080374 0.4189 -0.111 -0.13127 -0.7295 0.167 0.14462 0.8179 0.2929 0.2496 3616539 ACon1_002304 COc1cccc2C(=O)c3c(C(=O)c12)c(O)cc4CC(C)(O)CC(=O)c43 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E04 compound treatment 0.093 0.081374 0.4241 0.013 -0.00727 -0.0404 0.015 -0.0073798 -0.0417 0.1975 0.4612 3616542 ACon1_002305 CC(O)/C=C/C1(O)C(C)CC(O)CC1(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E05 compound treatment -0.006 -0.017626 -0.0919 0.052 0.03173 0.1763 -0.006 -0.02838 -0.1605 -0.0439 -0.1718 1054502 ACon1_002306 COc1cc2n(C)c3ccccc3c(=O)c2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E06 compound treatment 0.023 0.011374 0.0593 0.0 -0.02027 -0.1126 0.012 -0.01038 -0.0587 -0.0647 -0.4615 3616546 ACon1_002307 CC1OC(OCC2(C)CCC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(COC7OC(CO)C(O)C(O)C7O)C6CCC54C)C3=C2)C(=O)O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E07 compound treatment 0.027 0.015374 0.0801 0.091 0.07073 0.3931 0.175 0.15262 0.8631 0.7715 0.8106 3616548 ACon1_002308 CC(O)CC1CCC(O)C(C)C(=O)OC(CC(C)O)CCC(O)C(C)C(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E08 compound treatment 0.289 0.27737 1.4457 -0.039 -0.05927 -0.3294 0.247 0.22462 1.2703 1.3779 0.7057 3559871 ACon1_002309 C/C=C\1/CN2C3Cc4c([nH]c5ccc(O)cc45)C2(O)CC1C3CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E09 mock treatment 0.196 0.18437 0.961 0.455 0.43473 2.4159 0.179 0.15662 0.8857 2.461 0.896 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E10 mock treatment 0.038 0.026374 0.1375 0.185 0.16473 0.9154 0.031 0.0086202 0.0487 0.636 0.6861 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E11 compound treatment 0.094 0.082374 0.4294 0.054 0.03373 0.1874 0.063 0.04062 0.2297 0.4887 0.9367 3559551 ACon1_002310 C[C@H]1C[C@H]2OC(=O)C(=C2CC/C(=C/CC1=O)/C)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E12 compound treatment -0.042 -0.053626 -0.2795 0.007 -0.01327 -0.0737 0.159 0.13662 0.7726 0.2421 0.2935 3616552 ACon1_002311 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(=O)OC4OC(C)C(O)C(O)C4O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E13 compound treatment 0.02 0.0083745 0.0436 0.068 0.04773 0.2652 -0.014 -0.03638 -0.2057 0.0596 0.1759 3420076 ACon1_002312 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E14 compound treatment 0.007 -0.0046255 -0.0241 -0.041 -0.06127 -0.3405 -0.07 -0.09238 -0.5224 -0.5121 -0.8206 3559755 ACon1_002313 CC1(CCCC(C)(C)C2C3CCC21)C3CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E15 compound treatment -0.278 -0.28963 -1.5096 -0.013 -0.03327 -0.1849 0.081 0.05862 0.3315 -0.7869 -0.5055 3554678 ACon1_002314 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3OC(=O)C[C@H]5\C(=C\C)\[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E16 compound treatment 0.178 0.16637 0.8672 0.067 0.04673 0.2597 0.004 -0.01838 -0.1039 0.5906 0.6482 3559326 ACon1_002315 CC(=CCC/C(=C/CC(O)/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E17 mock treatment 0.154 0.14237 0.7421 -0.086 -0.10627 -0.5906 0.0 -0.02238 -0.1266 0.0144 0.0151 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E18 mock treatment -0.273 -0.28463 -1.4835 0.006 -0.01427 -0.0793 -0.035 -0.05738 -0.3245 -1.0897 -0.7166 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E19 compound treatment -0.015 -0.026626 -0.1388 0.145 0.12473 0.6931 0.134 0.11162 0.6312 0.6845 0.7223 3553717 ACon1_002316 CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C/C(=C/C(=C/C(=O)O)/C)/C)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E20 compound treatment 0.075 0.063374 0.3303 0.018 -0.00227 -0.0126 0.184 0.16162 0.914 0.7111 0.7317 3616556 ACon1_002317 O=C(NCCCCNCCCNC(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E21 compound treatment -0.135 -0.14663 -0.7642 0.047 0.02673 0.1485 0.134 0.11162 0.6312 0.009 0.0089 3554770 ACon1_002318 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E22 compound treatment -0.051 -0.062626 -0.3264 -0.017 -0.03727 -0.2071 0.026 0.0036202 0.0205 -0.2962 -0.7652 3616560 ACon1_002319 O[C@@H]1[C@@H](COC(=O)/C=C/C2(O)C=CC(=O)C=C2)O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@H]1OC(=O)/C=C/C4(O)C=CC(=O)C=C4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E23 compound treatment 0.072 0.060374 0.3147 0.051 0.03073 0.1708 0.061 0.03862 0.2184 0.4064 0.969 1088382 ACon1_002320 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 E24 compound treatment -0.077 -0.088626 -0.4619 0.013 -0.00727 -0.0404 0.106 0.08362 0.4729 -0.017 -0.0257 3616565 ACon1_002321 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F01 mock treatment -0.014 -0.025626 -0.1336 0.063 0.04273 0.2375 0.077 0.05462 0.3089 0.2383 0.5786 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F02 mock treatment -0.035 -0.046626 -0.243 -0.065 -0.08527 -0.4739 0.138 0.11562 0.6539 -0.0364 -0.0432 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F03 compound treatment 0.128 0.11637 0.6066 0.096 0.07573 0.4208 0.109 0.08662 0.4899 0.876 0.9887 3212153 ACon1_002322 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F04 mock treatment -0.078 -0.089626 -0.4671 -0.065 -0.08527 -0.4739 0.013 -0.0093798 -0.053 -0.5739 -0.8598 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F05 compound treatment -0.023 -0.034626 -0.1805 0.077 0.05673 0.3153 0.058 0.03562 0.2014 0.1941 0.4673 3616570 ACon1_002323 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H]4CN5CCc6c([nH]c7ccccc67)[C@]5(C[C@@H]31)O4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F06 mock treatment 0.006 -0.0056255 -0.0293 0.06 0.03973 0.2208 0.208 0.18562 1.0497 0.7166 0.6678 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F07 compound treatment 0.245 0.23337 1.2164 0.18 0.15973 0.8876 0.081 0.05862 0.3315 1.4062 0.912 3616572 ACon1_002324 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC3OCC(O)C(O)C3O)O[C@@H](Oc4cc(O)c5C(=O)CC(Oc5c4)c6ccc(O)cc6)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F08 mock treatment -0.102 -0.11363 -0.5922 0.142 0.12173 0.6765 -0.02 -0.04238 -0.2397 -0.0897 -0.0964 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F09 mock treatment 0.11 0.098374 0.5128 0.054 0.03373 0.1874 0.012 -0.01038 -0.0587 0.3704 0.6745 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F10 mock treatment 0.118 0.10637 0.5544 -0.068 -0.08827 -0.4905 -0.066 -0.08838 -0.4998 -0.2517 -0.2817 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F11 compound treatment 0.024 0.012374 0.0645 -0.032 -0.05227 -0.2905 0.459 0.43662 2.4692 1.2951 0.5207 3616576 ACon1_002325 CC(=CCc1cc2C(=O)C(O)C(Oc2c3C(O)C(O)C(C)(C)Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F12 mock treatment -0.128 -0.13963 -0.7278 -0.018 -0.03827 -0.2127 -0.065 -0.08738 -0.4941 -0.8283 -0.9152 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F13 compound treatment -0.12 -0.13163 -0.6861 0.014 -0.00627 -0.0348 0.094 0.07162 0.405 -0.1824 -0.2287 3616580 ACon1_002326 COc1cc(CC2COC(C2COC3OC(CO)C(O)C(O)C3O)c4ccc(O)c(OC)c4)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F14 mock treatment -0.103 -0.11463 -0.5975 0.029 0.00873 0.0485 -0.156 -0.17838 -1.0088 -0.8993 -0.7664 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F15 compound treatment -0.185 -0.19663 -1.0249 0.021 7.2998E-4 0.0041 0.043 0.02062 0.1166 -0.522 -0.5061 2090754 ACon1_002327 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F16 mock treatment -0.071 -0.082626 -0.4307 0.085 0.06473 0.3597 0.111 0.08862 0.5012 0.2484 0.3301 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F17 mock treatment -0.018 -0.029626 -0.1544 -0.072 -0.09227 -0.5128 0.113 0.09062 0.5125 -0.0893 -0.1205 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F18 mock treatment -0.032 -0.043626 -0.2274 -0.07 -0.09027 -0.5016 0.379 0.35662 2.0168 0.7435 0.3556 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F19 compound treatment 0.167 0.15537 0.8098 0.222 0.20173 1.121 0.146 0.12362 0.6991 1.5184 0.9799 3559435 ACon1_002328 COc1c2occc2c(OCC(OC(=O)/C(=C\C)/C)C(C)(C)O)c3ccc(=O)oc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F20 mock treatment 0.078 0.066374 0.346 -0.084 -0.10427 -0.5794 -0.053 -0.07538 -0.4263 -0.3809 -0.4772 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F21 compound treatment 0.288 0.27637 1.4405 0.188 0.16773 0.9321 0.263 0.24062 1.3608 2.1555 0.9843 3558554 ACon1_002329 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F22 mock treatment -0.187 -0.19863 -1.0353 0.045 0.02473 0.1374 -0.12 -0.14238 -0.8052 -0.9832 -0.7456 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F23 compound treatment 0.294 0.28237 1.4718 0.805 0.78473 4.3609 0.955 0.93262 5.2741 6.4125 0.9161 3616583 ACon1_002330 OC(=O)c1cc(O)c(O)c(O)c1Oc2cc3C(=O)OC[C@H]4O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@@H](OC(=O)c7cc(O)c(O)c(O)c7)[C@@H]4OC(=O)c8cc(O)c(O)c(O)c8-c3c(O)c2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 F24 mock treatment -0.006 -0.017626 -0.0919 0.091 0.07073 0.3931 0.092 0.06962 0.3937 0.4012 0.7115 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G01 compound treatment -0.067 -0.078626 -0.4098 0.006 -0.01427 -0.0793 0.0 -0.02238 -0.1266 -0.3555 -0.8149 3557489 ACon1_002331 CC12CC3(CC2C1CC34)CC(O)C5C(C)(CO)CCCC45C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G02 compound treatment 0.007 -0.0046255 -0.0241 0.021 7.2998E-4 0.0041 0.145 0.12262 0.6934 0.3888 0.5603 3557405 ACon1_002332 CCCC(O)C(O)C1CC(=CC(=O)O1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G03 mock treatment 0.149 0.13737 0.716 0.175 0.15473 0.8599 0.034 0.01162 0.0657 0.9478 0.8456 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G04 mock treatment 0.013 0.0013745 0.0072 0.062 0.04173 0.2319 -0.124 -0.14638 -0.8278 -0.3399 -0.3954 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G05 compound treatment -0.046 -0.057626 -0.3004 0.031 0.01073 0.0596 0.123 0.10062 0.569 0.1895 0.2933 3554767 ACon1_002333 COc1c(O)c2c(CCC3C(C)(C)CCC[C@@]32C(=O)O)cc1C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G06 compound treatment -0.018 -0.029626 -0.1544 0.123 0.10273 0.5709 0.091 0.06862 0.3881 0.4645 0.6567 3616588 ACon1_002334 COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G07 compound treatment 0.13 0.11837 0.617 0.051 0.03073 0.1708 0.033 0.01062 0.0601 0.4895 0.7613 1034509 ACon1_002335 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G08 compound treatment 0.133 0.12137 0.6326 0.272 0.25173 1.3989 0.325 0.30262 1.7114 2.161 0.9399 3552648 ACon1_002336 C[C@@H]1C[C@H](O)/C=C/[C@H](O)[C@@H](O)CC(=O)O1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G09 compound treatment 0.106 0.094374 0.4919 -0.039 -0.05927 -0.3294 0.136 0.11362 0.6425 0.4648 0.532 3557256 ACon1_002337 CC(=O)c1c(O)cc(O)cc1CC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G10 compound treatment 0.214 0.20237 1.0548 0.221 0.20073 1.1155 0.27 0.24762 1.4003 2.0615 0.9921 3555790 ACon1_002338 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCC41 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G11 compound treatment -0.273 -0.28463 -1.4835 -0.234 -0.25427 -1.413 -0.279 -0.30138 -1.7044 -2.6563 -0.9967 3616592 ACon1_002339 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G12 compound treatment 0.087 0.075374 0.3929 0.086 0.06573 0.3653 0.156 0.13362 0.7556 0.874 0.9431 3616597 ACon1_002340 CCCC1(O)Cc2c(O1)c3c(O)cccc3cc2C(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G13 compound treatment 0.06 0.048374 0.2521 0.217 0.19673 1.0933 0.041 0.01862 0.1053 0.8376 0.7433 3558181 ACon1_002341 COc1cc(ccc1O)C2OCC3C(OC(=O)C23)c4ccc5OCOc5c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G14 compound treatment 0.11 0.098374 0.5128 -0.069 -0.08927 -0.4961 -0.162 -0.18438 -1.0427 -0.5924 -0.4689 1029487 ACon1_002342 OCC(O)Cc1ccc2OCOc2c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G15 compound treatment 0.2 0.18837 0.9819 0.268 0.24773 1.3767 0.22 0.19762 1.1176 2.0069 0.9902 3553721 ACon1_002343 CC(CCCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G16 compound treatment 0.109 0.097374 0.5075 0.216 0.19573 1.0877 0.133 0.11062 0.6256 1.2822 0.9473 3554667 ACon1_002344 COC(=O)C1(CO)C2Cc3c(C4CC1/C(=C\C)/CN42)n(C)c5ccccc35 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G17 compound treatment 0.114 0.10237 0.5336 0.068 0.04773 0.2652 0.174 0.15162 0.8574 0.9563 0.9158 3558054 ACon1_002345 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\CO)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G18 compound treatment 0.088 0.076374 0.3981 0.142 0.12173 0.6765 0.444 0.42162 2.3843 1.997 0.7955 3553083 ACon1_002346 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)N9C[C@@H](C)CC[C@H]19 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G19 mock treatment -0.459 -0.47063 -2.453 0.032 0.01173 0.0652 0.026 0.0036202 0.0205 -1.3668 -0.557 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G20 mock treatment -0.148 -0.15963 -0.832 0.118 0.09773 0.5431 0.127 0.10462 0.5916 0.1748 0.1511 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G21 compound treatment -0.096 -0.10763 -0.561 0.138 0.11773 0.6542 0.006 -0.01638 -0.0926 4.0E-4 4.0E-4 3557521 ACon1_002347 COc1cc(/C=C/C(=O)OC2C(O)C(O)C(OC3(CO)OC(CO)C(O)C3O)OC2COC(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G22 compound treatment 0.092 0.080374 0.4189 0.242 0.22173 1.2322 0.209 0.18662 1.0554 1.5626 0.9326 3557725 ACon1_002348 OC[C@H]1OC(Oc2cc(O)c3c(=O)c(O)c(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G23 compound treatment -0.05 -0.061626 -0.3212 0.086 0.06573 0.3653 -0.112 -0.13438 -0.7599 -0.4133 -0.4581 3558206 ACon1_002349 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 G24 compound treatment 0.371 0.35937 1.8731 0.141 0.12073 0.6709 0.224 0.20162 1.1402 2.1271 0.9276 1011276 ACon1_002350 COc1ccc2CC3N(C)CCc4cc5OCOc5c(c34)-c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H01 compound treatment 0.066 0.054374 0.2834 0.031 0.01073 0.0596 0.125 0.10262 0.5803 0.5331 0.822 3616603 ACon1_002351 O[C@H]1[C@H](O)[C@@H](COC(=O)CC(=O)O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H02 mock treatment 0.144 0.13237 0.69 0.161 0.14073 0.7821 -0.031 -0.05338 -0.3019 0.6756 0.6222 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H03 mock treatment 0.07 0.058374 0.3043 -0.053 -0.07327 -0.4072 -0.084 -0.10638 -0.6016 -0.4067 -0.5165 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H04 mock treatment -0.199 -0.21063 -1.0978 0.006 -0.01427 -0.0793 -0.006 -0.02838 -0.1605 -0.7723 -0.6943 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H05 compound treatment -0.006 -0.017626 -0.0919 0.161 0.14073 0.7821 0.153 0.13062 0.7387 0.825 0.7641 3616608 ACon1_002352 COC(=O)C1=CC(=C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H06 mock treatment 0.011 -6.2552E-4 -0.0033 0.073 0.05273 0.293 -0.114 -0.13638 -0.7713 -0.278 -0.3369 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H07 compound treatment -0.165 -0.17663 -0.9206 -0.291 -0.31127 -1.7298 0.026 0.0036202 0.0205 -1.5184 -0.7748 3616611 ACon1_002353 CC(C)(CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]3C(=CC[C@]4(C(=O)O)C3=CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H08 mock treatment 0.231 0.21937 1.1434 0.037 0.01673 0.093 0.013 -0.0093798 -0.053 0.6832 0.5949 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H09 compound treatment 0.094 0.082374 0.4294 -0.006 -0.02627 -0.146 0.119 0.09662 0.5464 0.4791 0.6747 3616613 ACon1_002354 Oc1ccccc1Cc2c(O)cc(O)c3C(=O)C[C@@H](Oc23)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H10 mock treatment 0.16 0.14837 0.7734 -0.113 -0.13327 -0.7406 -0.006 -0.02838 -0.1605 -0.0737 -0.0681 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H11 compound treatment -0.144 -0.15563 -0.8112 0.239 0.21873 1.2155 0.136 0.11362 0.6425 0.6044 0.3786 3558021 ACon1_002355 OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H12 mock treatment 0.136 0.12437 0.6483 -0.012 -0.03227 -0.1793 0.07 0.04762 0.2693 0.4262 0.5883 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H13 compound treatment -0.093 -0.10463 -0.5453 0.019 -0.00127 -0.0071 0.026 0.0036202 0.0205 -0.3071 -0.5627 3616618 ACon1_002356 CC(O)CCCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H14 mock treatment 0.087 0.075374 0.3929 0.037 0.01673 0.093 0.045 0.02262 0.1279 0.3544 0.8367 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H15 compound treatment 0.032 0.020374 0.1062 0.065 0.04473 0.2486 0.006 -0.01638 -0.0926 0.1513 0.5297 3616621 ACon1_002357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H16 mock treatment -0.007 -0.018626 -0.0971 0.045 0.02473 0.1374 0.036 0.01362 0.077 0.0678 0.3662 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H17 compound treatment -0.102 -0.11363 -0.5922 0.057 0.03673 0.2041 0.03 0.0076202 0.0431 -0.1992 -0.3173 3559631 ACon1_002358 COc1ccc(OC)c(/C=C/C(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H18 mock treatment 0.012 3.7448E-4 0.002 0.031 0.01073 0.0596 -0.017 -0.03938 -0.2227 -0.093 -0.4035 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H19 mock treatment 0.165 0.15337 0.7994 -0.034 -0.05427 -0.3016 0.321 0.29862 1.6888 1.2624 0.667 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H20 mock treatment -0.223 -0.23463 -1.2229 0.012 -0.00827 -0.046 0.149 0.12662 0.7161 -0.3192 -0.2251 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H21 compound treatment 0.293 0.28137 1.4666 -0.108 -0.12827 -0.7128 0.123 0.10062 0.569 0.7637 0.4422 3559126 ACon1_002359 CO[C@]1(OC[C@@H]2[C@H](OC[C@@]21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H22 mock treatment -0.077 -0.088626 -0.4619 -0.178 -0.19827 -1.1018 0.02 -0.0023798 -0.0135 -0.9106 -0.7621 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H23 compound treatment -0.182 -0.19363 -1.0092 0.489 0.46873 2.6048 0.479 0.45662 2.5823 2.4121 0.6341 3558476 ACon1_002360 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 H24 mock treatment -0.032 -0.043626 -0.2274 0.095 0.07473 0.4153 -0.05 -0.07238 -0.4093 -0.1278 -0.2043 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I01 compound treatment 0.053 0.041374 0.2157 0.029 0.00873 0.0485 0.068 0.04562 0.258 0.3015 0.8874 1086162 ACon1_002361 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I02 compound treatment 0.059 0.047374 0.2469 0.048 0.02773 0.1541 0.065 0.04262 0.241 0.3707 0.9809 3557472 ACon1_002362 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(O)c3C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I03 compound treatment 0.065 0.053374 0.2782 0.094 0.07373 0.4097 0.124 0.10162 0.5747 0.729 0.9609 3553181 ACon1_002363 CC(=C1CC[C@@]2(CO[C@@H]3C2)C1CC[C@]3(O)C(=O)O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I04 compound treatment 0.104 0.092374 0.4815 0.044 0.02373 0.1319 0.044 0.02162 0.1223 0.4247 0.8263 3616624 ACon1_002364 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)/C=C/C(=O)O)C(C)c3c[nH]c4ccccc34 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I05 mock treatment 0.319 0.30737 1.6021 -0.012 -0.03227 -0.1793 -0.068 -0.09038 -0.5111 0.5263 0.3112 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I06 mock treatment -0.222 -0.23363 -1.2177 -0.012 -0.03227 -0.1793 0.143 0.12062 0.6821 -0.4128 -0.2933 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I07 compound treatment -0.031 -0.042626 -0.2222 -0.044 -0.06427 -0.3572 0.0 -0.02238 -0.1266 -0.4075 -0.9278 3616627 ACon1_002365 C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I08 compound treatment 0.207 0.19537 1.0183 -0.067 -0.08727 -0.485 -0.096 -0.11838 -0.6695 -0.0786 -0.0599 3557433 ACon1_002366 C[C@]1([C@H](O)CC(=O)c2coc3C(=O)c4c5CCC(=O)c5ccc41)c23 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I09 compound treatment 0.224 0.21237 1.1069 0.121 0.10073 0.5598 0.182 0.15962 0.9027 1.4834 0.967 3554518 ACon1_002367 CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I10 compound treatment 0.136 0.12437 0.6483 -0.03 -0.05027 -0.2794 0.109 0.08662 0.4899 0.4958 0.577 3616630 ACon1_002368 COc1cc2oc(C)cc(=O)c2c(O)c1CSCC(O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I11 compound treatment 0.072 0.060374 0.3147 0.163 0.14273 0.7932 -0.025 -0.04738 -0.2679 0.4849 0.5422 3558142 ACon1_002369 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I12 compound treatment 0.556 0.54437 2.8374 0.5 0.47973 2.6659 0.297 0.27462 1.553 4.074 0.9719 3616631 ACon1_002370 C/C=C/CCCCC(=O)C(C)C(=O)N1CCC=C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I13 compound treatment -0.056 -0.067626 -0.3525 -0.06 -0.08027 -0.4461 -0.119 -0.14138 -0.7995 -0.9227 -0.9405 3554843 ACon1_002371 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(OC)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I14 compound treatment 0.029 0.017374 0.0906 0.082 0.06173 0.343 -0.03 -0.05238 -0.2962 0.0793 0.1716 1403 ACon1_002372 COC(=O)C1=CCCN(C)C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I15 compound treatment 0.489 0.47737 2.4882 0.013 -0.00727 -0.0404 0.292 0.26962 1.5248 2.2935 0.7859 3552057 ACon1_002373 C/C=C/C(O)C(C)CC(C)C(OC(=O)CCC(=O)O)C(C)/C=C/C=C/C=C(\C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I16 compound treatment 0.032 0.020374 0.1062 0.071 0.05073 0.2819 0.109 0.08662 0.4899 0.5069 0.8814 3554656 ACon1_002374 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](OC(=O)C)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I17 compound treatment -0.074 -0.085626 -0.4463 -0.064 -0.08427 -0.4683 -0.057 -0.07938 -0.4489 -0.7872 -0.9998 3551981 ACon1_002375 C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I18 compound treatment 5.731 5.7194 9.3975 -0.072 -0.09227 -0.5128 0.041 0.01862 0.1053 5.1904 0.5515 3616633 ACon1_002376 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5ccc(OC)c(OC)c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I19 compound treatment -0.069 -0.080626 -0.4202 0.025 0.00473 0.0263 0.153 0.13062 0.7387 0.199 0.2341 3559399 ACon1_002377 OC[C@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I20 compound treatment 0.101 0.089374 0.4658 0.026 0.00573 0.0318 0.18 0.15762 0.8914 0.802 0.797 3616634 ACon1_002378 CC(CC(C)OC(=O)/C=C/c1ccc(O)cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I21 mock treatment 0.226 0.21437 1.1174 0.09 0.06973 0.3875 0.007 -0.01538 -0.087 0.8186 0.6903 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I22 mock treatment 0.09 0.078374 0.4085 0.092 0.07173 0.3986 0.104 0.08162 0.4616 0.7325 0.9979 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I23 compound treatment -0.039 -0.050626 -0.2639 -0.031 -0.05127 -0.2849 -0.152 -0.17438 -0.9861 -0.8862 -0.8361 3559277 ACon1_002379 CC(=O)C12CC(CCC2(C)CCC1O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 I24 compound treatment -0.013 -0.024626 -0.1284 -0.03 -0.05027 -0.2794 0.11 0.08762 0.4955 0.0507 0.0869 3616636 ACon1_002380 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](OC(=O)/C=C/C3(O)C=CC(=O)C=C3)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J01 compound treatment 0.115 0.10337 0.5388 0.096 0.07573 0.4208 0.096 0.07362 0.4163 0.7944 0.9924 3616638 ACon1_002381 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3(C)Oc4cc5occ(c6ccc(O)cc6)c(=O)c5c(O)c4C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J02 mock treatment 0.0 -0.011626 -0.0606 -0.007 -0.02727 -0.1515 0.131 0.10862 0.6143 0.2322 0.3653 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J03 compound treatment -0.021 -0.032626 -0.1701 1.275 1.2547 6.1633 0.219 0.19662 1.1119 4.1022 0.6548 3616640 ACon1_002382 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccccc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J04 mock treatment -0.174 -0.18563 -0.9675 0.081 0.06073 0.3375 0.078 0.05562 0.3145 -0.1822 -0.1699 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J05 mock treatment 0.006 -0.0056255 -0.0293 -0.071 -0.09127 -0.5072 -0.097 -0.11938 -0.6751 -0.6995 -0.8279 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J06 mock treatment 0.06 0.048374 0.2521 -0.04 -0.06027 -0.3349 0.205 0.18262 1.0328 0.5485 0.4921 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J07 compound treatment 0.329 0.31737 1.6542 0.211 0.19073 1.0599 -0.155 -0.17738 -1.0031 0.9879 0.4478 3616641 ACon1_002383 CC1(CO)C(CCC2(C)C1CCC3(C)C2CC=C4C5CC(=C)CCC5(CCC43C)C(=O)OC6OC(CO)C(O)C(O)C6OC7OCC(O)C(O)C7O)OC8OC(CO)C(O)C(O)C8O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J08 mock treatment 0.155 0.14337 0.7473 0.013 -0.00727 -0.0404 0.061 0.03862 0.2184 0.5342 0.6852 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J09 compound treatment 0.306 0.29437 1.5343 0.0 -0.02027 -0.1126 -0.136 -0.15838 -0.8957 0.3037 0.1706 3616643 ACon1_002384 COc1cc(cc2CC(Oc21)C(=C)C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J10 mock treatment 0.019 0.0073745 0.0384 0.069 0.04873 0.2708 0.122 0.09962 0.5634 0.5038 0.8045 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J11 compound treatment 0.354 0.34237 1.7845 0.398 0.37773 2.0991 0.311 0.28862 1.6322 3.1846 0.9945 3616644 ACon1_002385 CC(=CCc1cc2[C@@H]3COc4c(O)c(O)ccc4[C@@H]3Oc2cc1O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J12 mock treatment -0.032 -0.043626 -0.2274 0.0 -0.02027 -0.1126 0.06 0.03762 0.2127 -0.0735 -0.2219 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J13 compound treatment -0.087 -0.098626 -0.5141 -0.027 -0.04727 -0.2627 -0.058 -0.08038 -0.4546 -0.7109 -0.9675 3616646 ACon1_002386 O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)c3coc4cc(O)ccc4c3=O)O[C@@H]([C@H]1O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J14 mock treatment -0.034 -0.045626 -0.2378 0.0 -0.02027 -0.1126 0.026 0.0036202 0.0205 -0.1905 -0.7218 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J15 compound treatment 0.319 0.30737 1.6021 0.648 0.62773 3.4884 0.604 0.58162 3.2892 4.838 0.957 3616648 ACon1_002387 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](CO)O[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J16 mock treatment -0.178 -0.18963 -0.9884 0.045 0.02473 0.1374 -0.025 -0.04738 -0.2679 -0.646 -0.6252 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J17 compound treatment 0.053 0.041374 0.2157 -0.012 -0.03227 -0.1793 0.042 0.01962 0.111 0.085 0.2819 3557669 ACon1_002388 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](O)C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@]61OCC(=C)[C@H](O)[C@@H]6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J18 mock treatment 0.127 0.11537 0.6014 0.045 0.02473 0.1374 0.085 0.06262 0.3541 0.631 0.8871 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J19 compound treatment 0.175 0.16337 0.8515 0.098 0.07773 0.432 -0.292 -0.31438 -1.7779 -0.2854 -0.1414 3559791 ACon1_002389 COc1ccc(cc1)C(=O)O[C@H]2CC(=CC[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J20 mock treatment -0.117 -0.12863 -0.6704 -0.038 -0.05827 -0.3238 0.042 0.01962 0.111 -0.51 -0.6775 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J21 mock treatment -0.012 -0.023626 -0.1231 0.085 0.06473 0.3597 0.076 0.05362 0.3032 0.3117 0.6408 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J22 mock treatment 0.083 0.071374 0.372 0.072 0.05173 0.2875 0.0 -0.02238 -0.1266 0.3077 0.632 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J23 mock treatment 0.261 0.24937 1.2998 0.165 0.14473 0.8043 0.0 -0.02238 -0.1266 1.1417 0.7444 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 J24 mock treatment 0.006 -0.0056255 -0.0293 -0.143 -0.16327 -0.9073 0.02 -0.0023798 -0.0135 -0.5485 -0.6042 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K01 compound treatment -0.063 -0.074626 -0.389 0.034 0.01373 0.0763 -0.062 -0.08438 -0.4772 -0.456 -0.7351 3554199 ACon1_002390 CCc1c(O)cc(O)c2C(=O)C[C@@H](C)Oc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K02 compound treatment 0.132 0.12037 0.6274 0.16 0.13973 0.7765 0.25 0.22762 1.2872 1.5537 0.9538 3559924 ACon1_002391 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CC(=O)OC2O)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K03 compound treatment 0.064 0.052374 0.273 0.057 0.03673 0.2041 -0.039 -0.06138 -0.3471 0.075 0.1543 3558269 ACon1_002392 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K04 compound treatment 0.038 0.026374 0.1375 0.117 0.09673 0.5375 0.006 -0.01638 -0.0926 0.3362 0.5977 3559641 ACon1_002393 O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K05 compound treatment 0.197 0.18537 0.9662 0.221 0.20073 1.1155 0.242 0.21962 1.242 1.9189 0.9949 3554959 ACon1_002394 COc1cc(O)c(C(=O)C)c(CC(=O)O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K06 compound treatment -0.193 -0.20463 -1.0666 0.124 0.10373 0.5764 0.211 0.18862 1.0667 0.3329 0.2061 3616650 ACon1_002395 COc1cc(oc(=O)c1C)/C(=C/C(C)O)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K07 mock treatment 0.048 0.036374 0.1896 0.057 0.03673 0.2041 -0.089 -0.11138 -0.6299 -0.1364 -0.198 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K08 mock treatment 0.108 0.096374 0.5023 0.006 -0.01427 -0.0793 0.057 0.03462 0.1958 0.3573 0.6556 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K09 compound treatment 0.094 0.082374 0.4294 0.013 -0.00727 -0.0404 -0.006 -0.02838 -0.1605 0.1319 0.2867 3559867 ACon1_002396 COc1c(O)cc2CCNC3Cc4ccccc4-c1c32 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K10 compound treatment 0.369 0.35737 1.8627 0.171 0.15073 0.8376 0.236 0.21362 1.2081 2.2565 0.9509 3616653 ACon1_002397 CC(CCO)/C=C(/C)\C=C\C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K11 compound treatment 0.111 0.099374 0.518 0.097 0.07673 0.4264 -0.019 -0.04138 -0.234 0.4101 0.5772 3558744 ACon1_002398 COc1cc(/C=C/CO)cc(OC)c1OC\C=C(/C)\CCC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K12 compound treatment 0.003 -0.0086255 -0.045 0.006 -0.01427 -0.0793 0.024 0.0016202 0.0092 -0.0665 -0.7253 3616654 ACon1_002399 CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K13 compound treatment 0.173 0.16137 0.8411 0.059 0.03873 0.2152 0.091 0.06862 0.3881 0.8339 0.8769 3557992 ACon1_002400 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@@H](C[C@@H]3[C@@H](OC(=O)C)[C@]12OC3(C)C)OC(=O)c4ccccc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K14 compound treatment -0.007 -0.018626 -0.0971 0.0 -0.02027 -0.1126 0.081 0.05862 0.3315 0.0703 0.1935 2732 ACon1_002401 Cc1cc(=O)oc2cc(O)ccc12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K15 mock treatment 0.092 0.080374 0.4189 0.047 0.02673 0.1485 0.047 0.02462 0.1392 0.408 0.876 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K16 mock treatment -0.06 -0.071626 -0.3733 -0.006 -0.02627 -0.146 0.066 0.04362 0.2467 -0.1574 -0.3344 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K17 compound treatment 0.168 0.15637 0.8151 -0.109 -0.12927 -0.7184 0.115 0.09262 0.5238 0.3582 0.297 3554976 ACon1_002402 COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K18 compound treatment 0.063 0.051374 0.2678 0.127 0.10673 0.5931 0.248 0.22562 1.2759 1.2337 0.8613 3616656 ACon1_002403 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C/c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K19 compound treatment 0.294 0.28237 1.4718 0.234 0.21373 1.1877 0.073 0.05062 0.2863 1.7008 0.8891 3559928 ACon1_002404 COC1OC(=O)C(=C1)CCC2(C)C/C=C\C=C(\C(=O)O)/C(=C)CCC2C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K20 compound treatment 0.051 0.039374 0.2052 0.255 0.23473 1.3044 0.13 0.10762 0.6086 1.223 0.8411 3558737 ACon1_002405 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K21 compound treatment -0.011 -0.022626 -0.1179 -0.104 -0.12427 -0.6906 -0.054 -0.07638 -0.4319 -0.7162 -0.8702 3557421 ACon1_002406 Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K22 compound treatment 0.066 0.054374 0.2834 0.067 0.04673 0.2597 0.073 0.05062 0.2863 0.4788 0.9991 3616657 ACon1_002407 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC6OC(CO)C(O)C(O)C6O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K23 mock treatment -0.098 -0.10963 -0.5714 -0.098 -0.11827 -0.6572 -0.157 -0.17938 -1.0144 -1.295 -0.9686 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 K24 mock treatment 0.042 0.030374 0.1583 -0.045 -0.06527 -0.3627 0.102 0.07962 0.4503 0.142 0.2368 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L01 compound treatment 0.118 0.10637 0.5544 0.065 0.04473 0.2486 -0.086 -0.10838 -0.6129 0.1098 0.1272 3616659 ACon1_002408 C/C(=C\CCC(=C)C1(O)CCC(=CC1)C)/C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L02 mock treatment -0.063 -0.074626 -0.389 0.037 0.01673 0.093 0.026 0.0036202 0.0205 -0.1591 -0.3972 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L03 compound treatment 0.032 0.020374 0.1062 0.132 0.11173 0.6209 0.101 0.07862 0.4446 0.6765 0.8774 3616661 ACon1_002409 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc3O[C@@H]([C@@H](Oc3c2)C(=O)O)c4ccc(O)c(O)c4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L04 mock treatment 0.105 0.093374 0.4867 -0.04 -0.06027 -0.3349 -0.037 -0.05938 -0.3358 -0.1063 -0.1564 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L05 compound treatment 0.142 0.13037 0.6795 0.217 0.19673 1.0933 0.098 0.07562 0.4276 1.2704 0.9366 3616663 ACon1_002410 COC(=O)C1CC(=O)C[C@@H]2[C@@]1(C)CC[C@@H]3C(=O)O[C@@H](C[C@]32C)c4ccoc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L06 mock treatment 0.03 0.018374 0.0958 -0.012 -0.03227 -0.1793 0.194 0.17162 0.9705 0.5121 0.5164 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L07 mock treatment 0.253 0.24137 1.2581 0.028 0.00773 0.043 0.006 -0.01638 -0.0926 0.6977 0.5527 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L08 mock treatment -0.02 -0.031626 -0.1648 -0.077 -0.09727 -0.5405 -0.122 -0.14438 -0.8165 -0.8787 -0.8849 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L09 compound treatment 0.243 0.23137 1.206 -0.038 -0.05827 -0.3238 0.157 0.13462 0.7613 0.9489 0.6488 3616665 ACon1_002411 C/C(=C\CCC(C)(OC1OCC(O)C(O)C1OC(=O)\C(=C\CCC(C)(O)C=C)\C)C=C)/C(=O)OC2CC3(C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(=O)OC%10OCC(OC%11OC(CO)C(O)C(OC%12OC(CO)C(OC%13OC(CO)C(O)C(O)C%13O)C(O)C%12O)C%11O)C(O)C%10O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L10 mock treatment -0.062 -0.073626 -0.3838 -0.053 -0.07327 -0.4072 -0.231 -0.25338 -1.4329 -1.2839 -0.8347 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L11 compound treatment 0.321 0.30937 1.6125 0.479 0.45873 2.5492 0.346 0.32362 1.8301 3.4594 0.9805 3616667 ACon1_002412 CC1OC(OC2C(O)C(O)C(C)OC2OC3(C)CC(OC4OC(CO)C(O)C(OC(=O)C)C4O)C5C(CCC6C(C)(C)CCCC65C)O3)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L12 mock treatment -0.012 -0.023626 -0.1231 0.018 -0.00227 -0.0126 0.026 0.0036202 0.0205 -0.0666 -0.5305 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L13 compound treatment 0.026 0.014374 0.0749 0.166 0.14573 0.8098 0.053 0.03062 0.1732 0.6108 0.7345 3558283 ACon1_002413 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%111CCC(C)CO%11 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L14 mock treatment -0.062 -0.073626 -0.3838 0.051 0.03073 0.1708 0.067 0.04462 0.2523 0.0227 0.0464 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L15 mock treatment 0.039 0.027374 0.1427 0.181 0.16073 0.8932 -0.047 -0.06938 -0.3924 0.3715 0.3768 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L16 mock treatment -0.087 -0.098626 -0.5141 0.114 0.09373 0.5209 -0.106 -0.12838 -0.726 -0.4152 -0.4028 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L17 compound treatment -0.048 -0.059626 -0.3108 -0.043 -0.06327 -0.3516 -0.048 -0.07038 -0.398 -0.6122 -0.995 3559686 ACon1_002414 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(O)c(OC)c3)cc1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L18 mock treatment 0.036 0.024374 0.127 0.078 0.05773 0.3208 0.047 0.02462 0.1392 0.339 0.911 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L19 compound treatment 0.116 0.10437 0.544 -0.018 -0.03827 -0.2127 0.111 0.08862 0.5012 0.4807 0.6245 3557479 ACon1_002415 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L20 mock treatment 0.033 0.021374 0.1114 -0.031 -0.05127 -0.2849 0.032 0.0096202 0.0544 -0.0688 -0.2213 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L21 compound treatment 0.006 -0.0056255 -0.0293 0.068 0.04773 0.2652 0.08 0.05762 0.3259 0.3243 0.7701 3558013 ACon1_002416 CC(=O)O[C@H]1CC(C)(C)CC2[C@@]31CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L22 mock treatment -0.048 -0.059626 -0.3108 -0.073 -0.09327 -0.5183 0.118 0.09562 0.5408 -0.1665 -0.2053 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L23 mock treatment 0.133 0.12137 0.6326 0.083 0.06273 0.3486 0.154 0.13162 0.7443 0.9963 0.9605 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 L24 mock treatment -0.023 -0.034626 -0.1805 0.029 0.00873 0.0485 0.137 0.11462 0.6482 0.298 0.4418 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M01 compound treatment 0.103 0.091374 0.4763 -0.103 -0.12327 -0.685 0.06 0.03762 0.2127 0.0023 0.0027 3557425 ACon1_002417 C/C=C(\C)/C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M02 compound treatment 0.007 -0.0046255 -0.0241 -0.111 -0.13127 -0.7295 0.0 -0.02238 -0.1266 -0.5082 -0.686 3557333 ACon1_002418 Cc1cc2cc(O)cc(O)c2c(=O)o1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M03 compound treatment -0.053 -0.064626 -0.3368 -0.038 -0.05827 -0.3238 0.129 0.10662 0.603 -0.0333 -0.0437 3559679 ACon1_002419 COC(=O)[C@@H]1C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]3(C[C@H]4CC[C@H]32)[C@@H](O)C4=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M04 compound treatment 0.095 0.083374 0.4346 -0.013 -0.03327 -0.1849 0.045 0.02262 0.1279 0.218 0.4456 1110474 ACon1_002420 COc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M05 compound treatment -0.03 -0.041626 -0.217 -0.146 -0.16627 -0.924 -0.124 -0.14638 -0.8278 -1.1367 -0.9025 3553164 ACon1_002421 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@H](OC[C@H]34)c5ccc6OCOc6c5 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M06 compound treatment 1.982 1.9704 7.0139 0.448 0.42773 2.377 0.434 0.41162 2.3278 6.7657 0.8715 3557719 ACon1_002422 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M07 compound treatment 0.071 0.059374 0.3095 0.204 0.18373 1.021 0.339 0.31662 1.7905 1.8019 0.8645 3616668 ACon1_002423 CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(=C/C=C\[C@H](OC)[C@@H](OC(=O)N)/C(=C/[C@H](C)[C@H]1O)/C)/C)C2=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M08 compound treatment -0.083 -0.094626 -0.4932 -0.006 -0.02627 -0.146 0.147 0.12462 0.7048 0.0378 0.0434 3559706 ACon1_002424 COc1cc(O)c2c(=O)cc(oc2c1)c3cc(OC)c(OC)c(O)c3OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M09 mock treatment 0.012 3.7448E-4 0.002 0.042 0.02173 0.1208 0.142 0.11962 0.6765 0.4614 0.6715 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M10 mock treatment 0.179 0.16737 0.8724 -0.012 -0.03227 -0.1793 0.047 0.02462 0.1392 0.4805 0.5331 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M11 compound treatment -0.039 -0.050626 -0.2639 0.144 0.12373 0.6876 -0.169 -0.19138 -1.0823 -0.3802 -0.2904 3558746 ACon1_002425 COc1cc(/C=C/CO)ccc1OC\C=C(/C)\CCC=C(C)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M12 compound treatment 0.234 0.22237 1.1591 0.193 0.17273 0.9599 0.115 0.09262 0.5238 1.5258 0.9575 3616671 ACon1_002426 COc1c(O)cc2C(Oc3cc(C)oc(=O)c3)C(C)OC(=O)c2c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M13 mock treatment -0.075 -0.086626 -0.4515 -0.029 -0.04927 -0.2738 0.045 0.02262 0.1279 -0.3449 -0.6348 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M14 mock treatment -0.028 -0.039626 -0.2065 -0.202 -0.22227 -1.2352 -0.158 -0.18038 -1.0201 -1.4213 -0.88 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M15 compound treatment 0.152 0.14037 0.7317 -0.033 -0.05327 -0.296 0.05 0.02762 0.1562 0.3417 0.4247 3554561 ACon1_002427 COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M16 compound treatment 0.158 0.14637 0.7629 -0.112 -0.13227 -0.735 -0.007 -0.02938 -0.1661 -0.0798 -0.0744 3616673 ACon1_002428 COC(=O)[C@]1(O)[C@H](O)C(=O)C(=C1/C=C/C)Cl 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M17 compound treatment -0.235 -0.24663 -1.2855 0.096 0.07573 0.4208 0.04 0.01762 0.0996 -0.4417 -0.3256 3554697 ACon1_002429 COC(=O)c1c(O)cc(C)cc1Oc2c(O)cc(OC)cc2CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M18 compound treatment 0.256 0.24437 1.2737 0.076 0.05573 0.3097 0.232 0.20962 1.1854 1.5986 0.9045 3616676 ACon1_002430 COc1cc(O)cc(C)c1C(=O)OC2C(CO)OC(C2OC(=O)C)n3ccc(=O)[nH]c3=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M19 compound treatment 0.221 0.20937 1.0913 0.117 0.09673 0.5375 0.155 0.13262 0.75 1.3734 0.961 3616679 ACon1_002431 COC(CC(c1c(O)cc2cc(C)oc(=O)c2c1O)c3c(O)cc4cc(C)oc(=O)c4c3O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M20 compound treatment -0.021 -0.032626 -0.1701 -0.087 -0.10727 -0.5961 0.188 0.16562 0.9366 0.0984 0.0876 3616682 ACon1_002432 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C5C6C7C5C(C7C(O)(C(=O)OCc8cccc(O)c8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)C64)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M21 compound treatment 1.713 1.7014 6.6265 2.615 2.5947 8.2013 4.946 4.9236 9.8744 14.2618 0.9873 3552105 ACon1_002433 C/C=C/C1OC2=C(C(O)C1O)C(=O)OC2=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M22 compound treatment 0.13 0.11837 0.617 0.087 0.06673 0.3708 0.121 0.09862 0.5577 0.8923 0.9799 3616684 ACon1_002434 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M23 compound treatment -0.092 -0.10363 -0.5401 0.158 0.13773 0.7654 0.042 0.01962 0.111 0.1941 0.2058 3559395 ACon1_002435 C/C=C\1/[C@H](CC(=O)OCCc2ccc(O)cc2)C(=CO[C@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 M24 compound treatment -0.136 -0.14763 -0.7695 0.061 0.04073 0.2263 0.092 0.06962 0.3937 -0.0863 -0.0965 3559231 ACon1_002436 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N01 compound treatment -0.06 -0.071626 -0.3733 -0.043 -0.06327 -0.3516 -0.082 -0.10438 -0.5903 -0.7593 -0.9711 2090630 ACon1_002437 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(OC6OC(C)C(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N02 mock treatment -0.007 -0.018626 -0.0971 -0.121 -0.14127 -0.7851 -0.051 -0.07338 -0.415 -0.7489 -0.8384 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N03 compound treatment 0.529 0.51737 2.6967 0.285 0.26473 1.4711 0.386 0.36362 2.0563 3.5935 0.9721 3616685 ACon1_002438 CC(=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c3ccc(O)cc3)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N04 mock treatment -0.067 -0.078626 -0.4098 -0.025 -0.04527 -0.2516 -0.067 -0.08938 -0.5055 -0.6737 -0.9656 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N05 compound treatment 0.34 0.32837 1.7116 0.465 0.44473 2.4714 0.185 0.16262 0.9196 2.946 0.9371 3616688 ACon1_002439 C[C@]12C[C@H](OC(=O)[C@H]2CC[C@]3(C)[C@H]1CCC=C3C(=O)O)c4ccoc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N06 mock treatment -0.082 -0.093626 -0.488 0.11 0.08973 0.4986 0.071 0.04862 0.275 0.1649 0.2199 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N07 compound treatment 0.015 0.0033745 0.0176 0.143 0.12273 0.682 -0.024 -0.04638 -0.2623 0.2525 0.3454 3616690 ACon1_002440 COc1cc2C[C@H]3COC(=O)[C@@H]3Cc4cc5OCOc5cc4-c2c(OC)c1OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N08 mock treatment 0.085 0.073374 0.3824 -0.034 -0.05427 -0.3016 -0.066 -0.08838 -0.4998 -0.2419 -0.3466 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N09 mock treatment -0.156 -0.16763 -0.8737 -0.036 -0.05627 -0.3127 0.059 0.03662 0.2071 -0.5654 -0.5947 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N10 mock treatment 0.083 0.071374 0.372 -0.024 -0.04427 -0.246 -0.02 -0.04238 -0.2397 -0.0656 -0.1296 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N11 compound treatment 0.196 0.18437 0.961 0.413 0.39273 2.1825 0.305 0.28262 1.5983 2.7376 0.9536 3616692 ACon1_002441 CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H]5C(=C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C6=CC(=O)OC6)O[C@@H](C)[C@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N12 mock treatment 0.046 0.034374 0.1792 -0.062 -0.08227 -0.4572 0.083 0.06062 0.3428 0.0374 0.0625 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N13 mock treatment -0.027 -0.038626 -0.2013 0.133 0.11273 0.6265 0.027 0.0046202 0.0261 0.2605 0.3956 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N14 mock treatment -0.035 -0.046626 -0.243 0.048 0.02773 0.1541 0.0 -0.02238 -0.1266 -0.1244 -0.3958 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N15 compound treatment 0.284 0.27237 1.4197 0.088 0.06773 0.3764 0.215 0.19262 1.0893 1.6659 0.911 3616695 ACon1_002442 COc1cc2nc3occc3c(OC)c2cc1OCC(O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N16 mock treatment 0.154 0.14237 0.7421 0.124 0.10373 0.5764 0.036 0.01362 0.077 0.8057 0.8546 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N17 compound treatment -0.07 -0.081626 -0.4255 -0.056 -0.07627 -0.4238 -0.035 -0.05738 -0.3245 -0.6777 -0.9928 3559633 ACon1_002443 C/C(=C/CCC(C)(O)C=C)/CCC(=O)C(C)(C)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N18 mock treatment 0.078 0.066374 0.346 -0.01 -0.03027 -0.1682 0.108 0.08562 0.4842 0.3822 0.618 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N19 compound treatment 0.224 0.21237 1.1069 0.21 0.18973 1.0544 -0.127 -0.14938 -0.8448 0.7601 0.4352 3558393 ACon1_002444 CC(C)C1CCC(=CCCC2(C)OC2C1OC3OC(COC(=O)C)C(O)C(O)C3O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N20 mock treatment -0.055 -0.066626 -0.3473 -0.063 -0.08327 -0.4627 -0.065 -0.08738 -0.4941 -0.753 -0.9896 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N21 compound treatment 0.544 0.53237 2.7749 0.534 0.51373 2.8549 0.701 0.67862 3.8377 5.466 0.9885 3558493 ACon1_002445 COc1cc(CC2COC(C2COC(=O)/C=C/c3ccc(O)cc3)c4ccc(O)c(OC)c4)ccc1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N22 mock treatment 0.148 0.13637 0.7108 0.057 0.03673 0.2041 0.115 0.09262 0.5238 0.8306 0.9166 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N23 mock treatment -0.015 -0.026626 -0.1388 0.084 0.06373 0.3542 0.097 0.07462 0.422 0.368 0.6477 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 N24 mock treatment -0.038 -0.049626 -0.2587 -0.142 -0.16227 -0.9018 -0.051 -0.07338 -0.415 -0.9096 -0.8867 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O01 compound treatment 0.132 0.12037 0.6274 0.007 -0.01327 -0.0737 0.149 0.12662 0.7161 0.7331 0.7677 3557529 ACon1_002446 COc1cc(OC)c2C(=O)CC(Oc2c1O)c3ccccc3 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O02 compound treatment 0.046 0.034374 0.1792 0.014 -0.00627 -0.0348 0.02 -0.0023798 -0.0135 0.0756 0.4128 3559907 ACon1_002447 CC1(C2CC3CC21)C3(C)CCC(O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O03 compound treatment 0.162 0.15037 0.7838 0.101 0.08073 0.4486 0.086 0.06362 0.3598 0.9193 0.9456 3559525 ACon1_002448 O[C@]12CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC(=O)C1=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O04 compound treatment -0.03 -0.041626 -0.217 -0.106 -0.12627 -0.7017 -0.019 -0.04138 -0.234 -0.6655 -0.8633 3559658 ACon1_002449 COc1ccc(CCC(=O)c2ccc(OC)cc2O)cc1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O05 compound treatment 0.137 0.12537 0.6535 0.104 0.08373 0.4653 0.178 0.15562 0.8801 1.154 0.9691 360 ACon1_002450 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O06 compound treatment 0.439 0.42737 2.2276 0.313 0.29273 1.6267 0.189 0.16662 0.9423 2.7693 0.9501 3555974 ACon1_002451 OCCCCCCC(C(=O)O)C(=C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O07 compound treatment 0.281 0.26937 1.404 0.295 0.27473 1.5267 0.345 0.32262 1.8245 2.7454 0.9939 3559619 ACon1_002452 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O08 compound treatment 1.527 1.5154 6.3153 0.346 0.32573 1.8101 0.226 0.20362 1.1515 5.3561 0.803 3557500 ACon1_002453 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/CC/C=C(\CO)/C[C@H]2O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O09 compound treatment 0.342 0.33037 1.722 0.219 0.19873 1.1044 0.017 -0.0053798 -0.0304 1.6142 0.789 3553872 ACon1_002454 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)C=C54)c6ccoc6 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O10 compound treatment 0.05 0.038374 0.2 0.31 0.28973 1.6101 0.049 0.02662 0.1505 1.132 0.6947 3616698 ACon1_002455 CC1CCC(O)C2C=CC(C)(O)C(C)(C12)C(=O)CCO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O11 mock treatment -0.012 -0.023626 -0.1231 -0.019 -0.03927 -0.2182 -0.053 -0.07538 -0.4263 -0.4432 -0.8963 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O12 mock treatment 0.163 0.15137 0.789 -0.007 -0.02727 -0.1515 0.141 0.11862 0.6708 0.7553 0.7217 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O13 compound treatment 1.087 1.0754 5.3808 0.503 0.48273 2.6826 0.529 0.50662 2.865 6.3095 0.9474 3554856 ACon1_002456 COc1cc(C=C)cc2c(=O)oc3c(cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@@H]([C@H]5O)N(C)C)c34)c12 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O14 compound treatment 0.065 0.053374 0.2782 -0.007 -0.02727 -0.1515 -0.025 -0.04738 -0.2679 -0.0816 -0.1966 3559702 ACon1_002457 O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O15 compound treatment 0.152 0.14037 0.7317 0.147 0.12673 0.7043 0.08 0.05762 0.3259 1.0172 0.9537 3553713 ACon1_002458 CC(CCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O16 compound treatment 0.143 0.13137 0.6848 -0.048 -0.06827 -0.3794 -0.012 -0.03438 -0.1944 0.0641 0.0794 3553071 ACon1_002459 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C(C)C)C[C@]12CO 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O17 compound treatment 0.166 0.15437 0.8046 0.211 0.19073 1.0599 0.148 0.12562 0.7104 1.4867 0.9855 3553691 ACon1_002460 CC(CC(=O)N)OC(=O)c1cc(Cl)cc(O)c1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O18 compound treatment 0.209 0.19737 1.0288 0.216 0.19573 1.0877 0.055 0.03262 0.1845 1.3284 0.8807 3616699 ACon1_002461 CC(=O)O[C@@]1(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]3[C@@H]1C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O19 compound treatment 0.428 0.41637 2.1702 0.675 0.65473 3.6384 0.206 0.18362 1.0384 3.9532 0.9063 3559916 ACon1_002462 CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O20 compound treatment 0.261 0.24937 1.2998 0.283 0.26273 1.46 0.169 0.14662 0.8292 2.0721 0.9759 1017609 ACon1_002463 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O21 compound treatment 0.245 0.23337 1.2164 -0.026 -0.04627 -0.2571 0.0 -0.02238 -0.1266 0.4808 0.3847 3554292 ACon1_002464 CCCCCCCC(O)C(O)C1CC(=CC(=O)O1)OC 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O22 compound treatment 0.182 0.17037 0.888 0.274 0.25373 1.41 0.092 0.06962 0.3937 1.5541 0.9076 3558536 ACon1_002465 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)C(O)C(O)C1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O23 compound treatment 0.08 0.068374 0.3564 0.117 0.09673 0.5375 -0.013 -0.03538 -0.2001 0.4006 0.5932 3616706 ACon1_002466 CC1CC(=O)c2cc(O)c(O)cc2C1 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 O24 compound treatment -0.034 -0.045626 -0.2378 0.032 0.01173 0.0652 -0.077 -0.09938 -0.562 -0.4241 -0.6911 3615046 ACon1_002467 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P01 compound treatment -0.027 -0.038626 -0.2013 0.047 0.02673 0.1485 -0.007 -0.02938 -0.1661 -0.1264 -0.4209 3616709 ACon1_002468 C[C@@]1(CCC2C(=CCC3[C@@](C)(CCC[C@]23C)C(=O)O)C1)C=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P02 mock treatment 0.097 0.085374 0.445 -0.044 -0.06427 -0.3572 0.063 0.04062 0.2297 0.1833 0.2981 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P03 compound treatment 0.949 0.93737 4.8858 1.503 1.4827 6.6485 1.693 1.6706 7.1096 10.764 0.9883 3616713 ACon1_002469 COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C[C@]54O[C@@H]6C([C@@]2(O)C[C@@]1(C)[C@@H]6O)[C@@]35O)c7ccoc7 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P04 mock treatment -0.096 -0.10763 -0.561 0.006 -0.01427 -0.0793 0.143 0.12062 0.6821 0.0242 0.0273 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P05 compound treatment 0.367 0.35537 1.8523 0.006 -0.01427 -0.0793 0.196 0.17362 0.9819 1.5905 0.7581 3616715 ACon1_002470 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3coc4c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P06 mock treatment -0.019 -0.030626 -0.1596 -0.006 -0.02627 -0.146 0.166 0.14362 0.8122 0.2925 0.348 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P07 compound treatment 0.011 -6.2552E-4 -0.0033 0.012 -0.00827 -0.046 0.245 0.22262 1.259 0.6984 0.5544 3616718 ACon1_002471 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P08 mock treatment -0.018 -0.029626 -0.1544 0.038 0.01773 0.0985 0.03 0.0076202 0.0431 -0.0074 -0.0393 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P09 compound treatment 0.097 0.085374 0.445 0.025 0.00473 0.0263 -0.112 -0.13438 -0.7599 -0.1667 -0.1892 3616720 ACon1_002472 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P10 mock treatment 0.043 0.031374 0.1635 -0.143 -0.16327 -0.9073 -0.116 -0.13838 -0.7826 -0.8812 -0.7287 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P11 mock treatment 0.077 0.065374 0.3407 -0.013 -0.03327 -0.1849 0.032 0.0096202 0.0544 0.1214 0.3101 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P12 mock treatment 0.1 0.088374 0.4606 0.163 0.14273 0.7932 0.104 0.08162 0.4616 0.9904 0.9645 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P13 compound treatment 0.104 0.092374 0.4815 0.149 0.12873 0.7154 0.06 0.03762 0.2127 0.8138 0.9163 3616724 ACon1_002473 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)OC(=O)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P14 mock treatment -0.085 -0.096626 -0.5036 0.062 0.04173 0.2319 0.0 -0.02238 -0.1266 -0.23 -0.4043 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P15 compound treatment 0.139 0.12737 0.6639 0.067 0.04673 0.2597 0.275 0.25262 1.4286 1.358 0.8506 3616725 ACon1_002474 CCCCCc1cc(OC)c2CC(O)C(C)(C)Oc2c1C(=O)O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P16 mock treatment -0.056 -0.067626 -0.3525 -0.083 -0.10327 -0.5739 0.104 0.08162 0.4616 -0.2683 -0.3287 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P17 compound treatment -0.045 -0.056626 -0.2951 -0.089 -0.10927 -0.6072 -0.022 -0.04438 -0.251 -0.6659 -0.9245 1001668 ACon1_002475 CC(=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1)C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P18 mock treatment -0.026 -0.037626 -0.1961 -0.079 -0.09927 -0.5517 0.06 0.03762 0.2127 -0.3089 -0.4959 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P19 compound treatment 0.185 0.17337 0.9037 0.061 0.04073 0.2263 0.382 0.35962 2.0337 1.8266 0.8166 3554138 ACon1_002476 CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](C)C[C@]2(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)CC)C1=C 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P20 mock treatment 0.079 0.067374 0.3512 -0.06 -0.08027 -0.4461 -0.047 -0.06938 -0.3924 -0.2813 -0.4076 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P21 compound treatment 0.062 0.050374 0.2626 0.081 0.06073 0.3375 0.093 0.07062 0.3994 0.577 0.9862 3559753 ACon1_002477 COC1=CC2(CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc42)C3=CC1=O 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P22 mock treatment 0.244 0.23237 1.2112 -0.246 -0.26627 -1.4797 0.025 0.0026202 0.0148 -0.1465 -0.0766 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P23 mock treatment -0.055 -0.066626 -0.3473 -0.043 -0.06327 -0.3516 -0.167 -0.18938 -1.071 -1.0218 -0.8663 1155.0004 ManualSNR(1155.0004) BMPReceptorSMM 1155.0004.2297 P24 mock treatment 0.038 0.026374 0.1375 -0.013 -0.03327 -0.1849 0.064 0.04162 0.2354 0.1085 0.3295