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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A01 compound treatment -1.579 -1.23 -1.23 -1.393 -1.04 -0.96 -1.185 -0.93191756097561 -1.16838016340846 -1.9363 -0.9947 2141518 PK04_097001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A02 compound treatment -0.077 0.268 0.27 -1.496 -1.14 -1.05 -0.054 0.19908243902439 0.249597155777988 -0.3106 -0.2784 2141905 PK04_097002 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A03 compound treatment -0.827 -0.482 -0.48 -1.519 -1.16 -1.08 -1.268 -1.01491756097561 -1.27244039107644 -1.6321 -0.9415 2141091 PK04_097003 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A04 compound treatment -0.666 -0.321 -0.32 -1.976 -1.62 -1.5 -2.405 -2.15191756097561 -2.69794013635937 -2.6071 -0.8403 2141692 PK04_097004 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A05 compound treatment -0.654 -0.309 -0.31 -0.701 -0.343 -0.32 -0.581 -0.32791756097561 -0.411122603029492 -0.5983 -0.991 2141533 PK04_097005 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A06 compound treatment -0.096 0.249 0.25 0.147 0.505 0.47 0.328 0.58108243902439 0.728524950587206 0.8333 0.9257 2141714 PK04_097006 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A07 compound treatment 0.014 0.359 0.36 0.249 0.607 0.56 0.327 0.58008243902439 0.727271212904459 0.9503 0.9639 2141463 PK04_097007 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A08 compound treatment -1.011 -0.666 -0.66 -0.891 -0.533 -0.49 -1.154 -0.90091756097561 -1.12951429524332 -1.3195 -0.943 2141076 PK04_097008 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A09 compound treatment 0.14 0.485 0.48 -0.054 0.304 0.28 0.212 0.46508243902439 0.583091379388595 0.7774 0.963 2141109 PK04_097009 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A10 compound treatment -1.08 -0.735 -0.73 -1.571 -1.21 -1.12 -0.88 -0.62691756097561 -0.785990170170738 -1.5243 -0.9811 2141546 PK04_097010 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A11 compound treatment -0.194 0.151 0.15 -1.954 -1.6 -1.48 -0.752 -0.49891756097561 -0.625511746779168 -1.1279 -0.6996 2141079 PK04_097011 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A12 compound treatment -1.468 -1.12 -1.12 -2.631 -2.27 -2.11 -0.964 -0.71091756097561 -0.891304135521456 -2.3745 -0.9334 2141141 PK04_097012 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A13 mock treatment 0.382 0.727 0.72 -0.23 0.128 0.12 -0.097 0.15608243902439 0.195686435419883 0.5985 0.7895 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A14 mock treatment -1.035 -0.69 -0.69 -1.084 -0.726 -0.67 -0.639 -0.38591756097561 -0.483839388628797 -1.0637 -0.9889 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A15 compound treatment -0.876 -0.531 -0.53 -1.855 -1.5 -1.39 -1.015 -0.76191756097561 -0.955244757341535 -1.6568 -0.9389 2141882 PK04_097013 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A16 compound treatment -0.612 -0.267 -0.27 -2.315 -1.96 -1.81 -2.22 -1.96691756097561 -2.46599866505124 -2.6234 -0.854 2141936 PK04_097014 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A17 compound treatment 3.49 3.84 1.77 1.499 1.86 1.39 1.042 1.29508243902439 1.59163290579238 2.7402 0.9953 2141372 PK04_097015 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A18 compound treatment 0.479 0.824 0.82 0.011 0.369 0.34 0.107 0.36008243902439 0.451448922700198 0.9307 0.9347 2141092 PK04_097016 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A19 compound treatment -1.037 -0.692 -0.69 -1.013 -0.655 -0.61 -0.887 -0.63391756097561 -0.794766333949965 -1.2064 -0.994 2141344 PK04_097017 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A20 compound treatment -0.527 -0.182 -0.18 -0.667 -0.309 -0.29 -0.437 -0.18391756097561 -0.230584376713976 -0.403 -0.9832 2141115 PK04_097018 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A21 compound treatment -0.068 0.277 0.28 -0.17 0.188 0.17 0.138 0.39108243902439 0.490314790865344 0.5424 0.9215 2141570 PK04_097019 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A22 compound treatment -1.679 -1.33 -1.33 -1.975 -1.62 -1.5 -1.154 -0.90091756097561 -1.12951429524332 -2.2824 -0.9936 2141549 PK04_097020 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A23 compound treatment -0.066 0.279 0.28 -0.078 0.28 0.26 0.128 0.38108243902439 0.477777414037877 0.5855 0.9596 2141876 PK04_097021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 A24 compound treatment 0.286 0.631 0.63 0.28 0.638 0.59 0.343 0.59608243902439 0.747331015828405 1.1346 0.9948 2141753 PK04_097022 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B01 compound treatment -0.905 -0.56 -0.56 -2.797 -2.44 -2.26 -1.707 -1.45391756097561 -1.82283123380221 -2.6779 -0.9061 2141940 PK04_097023 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B02 compound treatment -0.91 -0.565 -0.56 -2.059 -1.7 -1.58 -0.926 -0.67291756097561 -0.843662103577084 -1.7209 -0.9187 2142685 PK04_097024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B03 compound treatment -0.303 0.0421 0.04 -1.357 -0.999 -0.93 -0.966 -0.71291756097561 -0.893811610886949 -1.0262 -0.7972 2141335 PK04_097025 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B04 compound treatment -0.471 -0.126 -0.13 -1.873 -1.52 -1.4 -1.835 -1.58191756097561 -1.98330965719378 -2.0275 -0.8334 2143933 PK04_097026 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B05 compound treatment -0.135 0.21 0.21 0.171 0.529 0.49 0.238 0.49108243902439 0.615688559140008 0.7586 0.9322 2141445 PK04_097027 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B06 compound treatment -0.264 0.0811 0.08 -0.686 -0.328 -0.3 -0.538 -0.28491756097561 -0.357211882671386 -0.3353 -0.7044 2144925 PK04_097028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B07 compound treatment -0.16 0.185 0.18 0.341 0.699 0.65 0.053 0.30608243902439 0.383747087831879 0.7013 0.9056 2141881 PK04_097029 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B08 compound treatment -0.752 -0.407 -0.4 -1.243 -0.885 -0.82 -1.063 -0.80991756097561 -1.01542416611337 -1.2932 -0.9464 2144289 PK04_097030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B09 compound treatment -0.782 -0.437 -0.43 -2.044 -1.69 -1.56 -0.541 -0.28791756097561 -0.360973095719626 -1.3607 -0.8195 2141150 PK04_097031 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B10 compound treatment -0.679 -0.334 -0.33 -0.964 -0.606 -0.56 -0.373 -0.11991756097561 -0.15034516501819 -0.6026 -0.9003 2144633 PK04_097032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B11 compound treatment -1.478 -1.13 -1.13 -2.258 -1.9 -1.76 -1.108 -0.85491756097561 -1.07184236183697 -2.2851 -0.9731 2141161 PK04_097033 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B12 compound treatment -1.351 -1.01 -1.0 -2.643 -2.29 -2.12 -0.719 -0.46591756097561 -0.584138403248529 -2.1364 -0.8856 2144765 PK04_097034 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B13 mock treatment -1.539 -1.19 -1.19 -2.274 -1.92 -1.77 -1.56 -1.30691756097561 -1.63853179443846 -2.6558 -0.9869 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B14 mock treatment 0.168 0.513 0.51 0.279 0.637 0.59 0.074 0.32708243902439 0.410075579169559 0.8716 0.9895 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B15 compound treatment -0.442 -0.0969 -0.1 -1.88 -1.52 -1.41 -1.407 -1.15391756097561 -1.44670992897822 -1.7048 -0.843 2141135 PK04_097035 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B16 compound treatment -0.872 -0.527 -0.52 -2.108 -1.75 -1.62 -1.79 -1.53691756097561 -1.92689146147018 -2.3507 -0.914 2144753 PK04_097036 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B17 compound treatment -0.542 -0.197 -0.2 -1.251 -0.893 -0.83 -0.908 -0.65491756097561 -0.821094825287644 -1.0647 -0.9009 2141225 PK04_097037 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B18 compound treatment -0.286 0.0591 0.06 -0.79 -0.432 -0.4 -0.716 -0.46291756097561 -0.580377190200289 -0.5323 -0.7524 2144045 PK04_097038 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B19 compound treatment 0.292 0.637 0.63 -0.449 -0.0914 -0.08 -0.309 -0.05591756097561 -0.0701059533224054 0.2763 0.4299 2141420 PK04_097039 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B20 compound treatment -0.316 0.0291 0.03 -0.332 0.0256 0.02 -0.302 -0.04891756097561 -0.0613297895431789 -0.005 -0.0701 2144377 PK04_097040 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B21 compound treatment -0.498 -0.153 -0.15 -1.274 -0.916 -0.85 -0.505 -0.25191756097561 -0.315838539140747 -0.76 -0.8278 2141808 PK04_097041 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B22 compound treatment -0.941 -0.596 -0.59 -1.163 -0.805 -0.75 -0.288 -0.03491756097561 -0.0437774619847259 -0.7979 -0.8368 2143265 PK04_097042 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B23 compound treatment 0.338 0.683 0.68 0.38 0.738 0.68 0.077 0.33008243902439 0.413836792217799 1.0253 0.9781 2141931 PK04_097043 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 B24 compound treatment 0.089 0.434 0.43 0.613 0.971 0.9 0.097 0.35008243902439 0.438911545872731 1.0214 0.9377 2142705 PK04_097044 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C01 compound treatment -0.623 -0.278 -0.28 -1.518 -1.16 -1.07 -0.427 -0.17391756097561 -0.218046999886509 -0.9058 -0.8011 2141223 PK04_097045 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C02 compound treatment -0.531 -0.186 -0.18 -1.93 -1.57 -1.46 -0.908 -0.65491756097561 -0.821094825287644 -1.4214 -0.8452 2141108 PK04_097046 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C03 compound treatment 0.139 0.484 0.48 0.114 0.472 0.44 0.32 0.57308243902439 0.718495049125233 0.9448 0.9752 2141329 PK04_097047 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C04 compound treatment -0.775 -0.43 -0.43 -2.095 -1.74 -1.61 -1.413 -1.15991756097561 -1.4542323550747 -2.0152 -0.9117 2141703 PK04_097048 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C05 compound treatment -0.449 -0.104 -0.1 -0.808 -0.45 -0.42 -1.698 -1.44491756097561 -1.81154759465749 -1.3463 -0.7231 2065845 PK04_097049 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C06 compound treatment -1.24 -0.895 -0.89 -1.722 -1.36 -1.26 -1.905 -1.65191756097561 -2.07107129498605 -2.4388 -0.9438 2141782 PK04_097050 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C07 compound treatment -0.758 -0.413 -0.41 -1.462 -1.1 -1.02 -1.197 -0.94391756097561 -1.18342501560142 -1.5107 -0.9342 2141574 PK04_097051 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C08 compound treatment 1.313 1.66 1.43 6.154 6.51 1.79 3.857 4.11008243902439 2.21429970994067 3.1421 0.9849 2141856 PK04_097052 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C09 compound treatment -0.588 -0.243 -0.24 -0.958 -0.6 -0.56 -0.418 -0.16491756097561 -0.206763360741789 -0.5798 -0.9053 2141751 PK04_097053 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C10 compound treatment -1.965 -1.62 -1.61 -1.907 -1.55 -1.43 -1.193 -0.93991756097561 -1.17841006487044 -2.4385 -0.9922 2141441 PK04_097054 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C11 mock treatment -1.716 -1.37 -1.36 -0.933 -0.575 -0.53 -0.931 -0.67791756097561 -0.849930791990817 -1.5852 -0.9367 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C12 mock treatment 0.118 0.463 0.46 0.313 0.671 0.62 0.069 0.32208243902439 0.403806890755825 0.8574 0.9832 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C13 compound treatment -0.533 -0.188 -0.19 -0.77 -0.412 -0.38 -0.116 0.13708243902439 0.171865419447697 -0.2291 -0.4996 2141937 PK04_097055 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C14 compound treatment -0.785 -0.44 -0.44 -2.025 -1.67 -1.54 -0.873 -0.61991756097561 -0.777214006391512 -1.5926 -0.8932 2141727 PK04_097056 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C15 mock treatment 0.175 0.52 0.52 1.107 1.46 1.29 0.103 0.35608243902439 0.446433971969211 1.3011 0.8913 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C16 mock treatment 0.045 0.39 0.39 0.276 0.634 0.59 0.253 0.50608243902439 0.634494624381208 0.9289 0.9807 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C17 compound treatment -0.36 -0.0149 -0.01 -0.373 -0.0154 -0.01 -1.351 -1.09791756097561 -1.37650061874441 -0.8115 -0.5895 2141078 PK04_097057 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C18 compound treatment -0.734 -0.389 -0.39 -0.995 -0.637 -0.59 -1.233 -0.97991756097561 -1.2285595721803 -1.2733 -0.8987 2141467 PK04_097058 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C19 compound treatment -0.99 -0.645 -0.64 -1.488 -1.13 -1.05 -1.023 -0.76991756097561 -0.965274658803508 -1.5318 -0.9809 2141339 PK04_097059 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C20 compound treatment 0.077 0.422 0.42 0.238 0.596 0.55 0.104 0.35708243902439 0.447687709651958 0.8191 0.9929 2141364 PK04_097060 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C21 compound treatment -0.891 -0.546 -0.54 -0.924 -0.566 -0.52 -0.962 -0.70891756097561 -0.888796660155963 -1.1293 -0.9685 2141370 PK04_097061 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C22 compound treatment -1.076 -0.731 -0.73 -0.93 -0.572 -0.53 -0.43 -0.17691756097561 -0.221808212934749 -0.8536 -0.9215 2141489 PK04_097062 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C23 compound treatment -1.213 -0.868 -0.86 -1.008 -0.65 -0.6 -0.739 -0.48591756097561 -0.609213156903462 -1.1976 -0.985 2141706 PK04_097063 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 C24 compound treatment -1.918 -1.57 -1.56 -1.631 -1.27 -1.18 -1.337 -1.08391756097561 -1.35894829118595 -2.3682 -0.9935 2141172 PK04_097064 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D01 compound treatment -1.824 -1.48 -1.47 -0.997 -0.639 -0.59 -0.372 -0.11891756097561 -0.149091427335444 -1.2768 -0.802 2141788 PK04_097065 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D02 compound treatment 0.073 0.418 0.42 -0.626 -0.268 -0.25 -0.404 -0.15091756097561 -0.189211033183336 -0.0128 -0.0245 2143973 PK04_097066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D03 compound treatment -0.496 -0.151 -0.15 -2.121 -1.76 -1.63 -1.408 -1.15491756097561 -1.44796366666097 -1.8653 -0.8527 2141854 PK04_097067 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D04 compound treatment 0.843 1.19 1.18 0.315 0.673 0.62 0.01 0.26308243902439 0.329836367473774 1.2319 0.8957 2141969 PK04_097068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D05 compound treatment -1.084 -0.739 -0.73 -2.222 -1.86 -1.73 -1.722 -1.46891756097561 -1.84163729904341 -2.4841 -0.9449 2141087 PK04_097069 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D06 compound treatment -0.751 -0.406 -0.4 -1.33 -0.972 -0.9 -0.99 -0.73691756097561 -0.923901315272869 -1.2862 -0.9516 2144657 PK04_097070 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D07 compound treatment -1.012 -0.667 -0.66 -1.204 -0.846 -0.78 -1.184 -0.93091756097561 -1.16712642572572 -1.5091 -0.9709 2141768 PK04_097071 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D08 compound treatment -0.816 -0.471 -0.47 -1.201 -0.843 -0.78 -0.485 -0.23191756097561 -0.290763785485814 -0.8891 -0.9301 2144733 PK04_097072 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D09 compound treatment -0.919 -0.574 -0.57 -0.735 -0.377 -0.35 -0.821 -0.56791756097561 -0.712019646888686 -0.9423 -0.9644 2141552 PK04_097073 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D10 compound treatment -0.88 -0.535 -0.53 -0.687 -0.329 -0.3 -0.613 -0.35991756097561 -0.451242208877385 -0.7437 -0.9769 2143885 PK04_097074 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D11 mock treatment -1.934 -1.59 -1.58 -0.794 -0.436 -0.4 -0.556 -0.30291756097561 -0.379779160960826 -1.3646 -0.8151 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D12 mock treatment -1.557 -1.21 -1.2 -1.019 -0.661 -0.61 -0.834 -0.58091756097561 -0.728318236764393 -1.4697 -0.9573 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D13 compound treatment -1.527 -1.18 -1.18 -1.052 -0.694 -0.64 -0.487 -0.23391756097561 -0.293271260851308 -1.2189 -0.889 2141513 PK04_097075 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D14 compound treatment -0.058 0.287 0.29 -0.894 -0.536 -0.5 0.105 0.35808243902439 0.448941447334704 0.1372 0.1885 2144449 PK04_097076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D15 mock treatment -1.164 -0.819 -0.81 -1.496 -1.14 -1.05 -1.383 -1.12991756097561 -1.4166202245923 -1.8965 -0.9754 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D16 mock treatment -1.052 -0.707 -0.7 -1.51 -1.15 -1.07 -0.645 -0.39191756097561 -0.491361814725277 -1.3055 -0.9537 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D17 compound treatment -0.354 -0.00893 -0.01 -1.203 -0.845 -0.78 -0.966 -0.71291756097561 -0.893811610886949 -0.9731 -0.819 2141816 PK04_097077 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D18 compound treatment -0.86 -0.515 -0.51 -1.308 -0.95 -0.88 -1.032 -0.77891756097561 -0.976558297948228 -1.3675 -0.9693 2142085 PK04_097078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D19 compound treatment -1.794 -1.45 -1.44 -1.239 -0.881 -0.82 -1.169 -0.91591756097561 -1.14832036048452 -1.9658 -0.9757 2141432 PK04_097079 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D20 compound treatment -0.728 -0.383 -0.38 -0.547 -0.189 -0.18 -0.463 -0.20991756097561 -0.263181556465388 -0.473 -0.9557 2144825 PK04_097080 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D21 compound treatment -1.542 -1.2 -1.19 -0.93 -0.572 -0.53 -0.962 -0.70891756097561 -0.888796660155963 -1.5062 -0.9551 2141123 PK04_097081 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D22 compound treatment -1.245 -0.9 -0.89 -0.896 -0.538 -0.5 -0.683 -0.42991756097561 -0.53900384666965 -1.1156 -0.9639 2144893 PK04_097082 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D23 compound treatment -1.857 -1.51 -1.5 -0.797 -0.439 -0.41 -0.759 -0.50591756097561 -0.634287910558394 -1.4689 -0.8736 2141421 PK04_097083 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 D24 compound treatment -1.078 -0.733 -0.73 -1.128 -0.77 -0.71 -0.832 -0.57891756097561 -0.725810761398899 -1.2516 -1.0 2143085 PK04_097084 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E01 mock treatment -0.883 -0.538 -0.53 -1.321 -0.963 -0.89 -1.277 -1.02391756097561 -1.28372403022116 -1.5649 -0.9472 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E02 mock treatment -0.701 -0.356 -0.35 -2.286 -1.93 -1.79 -0.727 -0.47391756097561 -0.594168304710502 -1.5783 -0.8242 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E03 compound treatment 0.479 0.824 0.82 0.339 0.697 0.65 0.276 0.52908243902439 0.66333059108438 1.2284 0.994 2141878 PK04_097085 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E04 compound treatment -0.632 -0.287 -0.29 -2.258 -1.9 -1.76 -2.235 -1.98191756097561 -2.48480473029244 -2.6152 -0.8552 2141520 PK04_097086 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E05 compound treatment -0.46 -0.115 -0.11 -0.76 -0.402 -0.37 -0.709 -0.45591756097561 -0.571601026421062 -0.6111 -0.8833 2141359 PK04_097087 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E06 compound treatment -1.101 -0.756 -0.75 0.73 1.09 1.01 -0.169 0.08408243902439 0.105417322262125 0.2084 0.1653 2141507 PK04_097088 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E07 compound treatment -0.818 -0.473 -0.47 -0.77 -0.412 -0.38 -0.549 -0.29591756097561 -0.3710029971816 -0.7061 -0.9941 2141863 PK04_097089 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E08 compound treatment -0.417 -0.0719 -0.07 -0.721 -0.363 -0.34 -0.855 -0.60191756097561 -0.754646728102072 -0.6713 -0.8094 2141163 PK04_097090 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E09 mock treatment -1.15 -0.805 -0.8 -2.011 -1.65 -1.53 -1.02 -0.76691756097561 -0.961513445755268 -1.901 -0.9616 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E10 mock treatment -2.075 -1.73 -1.72 -3.083 -2.73 -2.52 -1.321 -1.06791756097561 -1.33888848826201 -3.2229 -0.9665 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E11 compound treatment -1.017 -0.672 -0.67 -1.832 -1.47 -1.37 -0.705 -0.45191756097561 -0.566586075690076 -1.501 -0.9254 2141456 PK04_097091 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E12 compound treatment -0.922 -0.577 -0.57 -2.818 -2.46 -2.28 -1.433 -1.17991756097561 -1.47930710872963 -2.5005 -0.9007 2141683 PK04_097092 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E13 compound treatment -0.71 -0.365 -0.36 -1.574 -1.22 -1.13 -0.998 -0.74491756097561 -0.933931216734842 -1.3989 -0.928 2141357 PK04_097093 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E14 compound treatment -0.511 -0.166 -0.16 -1.308 -0.95 -0.88 -0.7 -0.44691756097561 -0.560317387276342 -0.9268 -0.8775 2141366 PK04_097094 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E15 compound treatment -0.386 -0.0409 -0.04 -1.039 -0.681 -0.63 -0.811 -0.55791756097561 -0.69948227006122 -0.7916 -0.8396 2141575 PK04_097095 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E16 compound treatment -0.934 -0.589 -0.59 -2.203 -1.85 -1.71 -3.051 -2.79791756097561 -3.5078546794137 -3.3498 -0.849 2141485 PK04_097096 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E17 mock treatment -1.048 -0.703 -0.7 -1.088 -0.73 -0.68 -1.094 -0.84091756097561 -1.05429003427852 -1.4026 -0.9779 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E18 mock treatment -1.5 -1.15 -1.15 -0.877 -0.519 -0.48 -0.853 -0.59991756097561 -0.752139252736579 -1.3748 -0.9453 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E19 compound treatment -1.024 -0.679 -0.67 -0.814 -0.456 -0.42 -0.79 -0.53691756097561 -0.67315377872354 -1.0223 -0.9804 2141377 PK04_097097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E20 compound treatment -0.465 -0.12 -0.12 -0.791 -0.433 -0.4 -0.707 -0.45391756097561 -0.569093551055569 -0.6291 -0.8905 2141326 PK04_097098 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E21 compound treatment 0.261 0.606 0.6 0.05 0.408 0.38 -0.312 -0.05891756097561 -0.0738671663706453 0.5231 0.7318 2141702 PK04_097099 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E22 compound treatment -1.242 -0.897 -0.89 -1.163 -0.805 -0.75 -0.928 -0.67491756097561 -0.846169578942577 -1.4339 -0.9973 2141417 PK04_097100 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E23 compound treatment -1.519 -1.17 -1.17 -1.931 -1.57 -1.46 -0.493 -0.23991756097561 -0.300793686947788 -1.6886 -0.8931 2141167 PK04_097101 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 E24 compound treatment -0.882 -0.537 -0.53 -2.078 -1.72 -1.59 -1.218 -0.96491756097561 -1.2097535069391 -1.9264 -0.9305 2141113 PK04_097102 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F01 mock treatment -1.175 -0.83 -0.83 -1.893 -1.54 -1.42 -1.129 -0.87591756097561 -1.09817085317465 -1.9312 -0.9769 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F02 mock treatment -1.66 -1.31 -1.31 -2.951 -2.59 -2.4 -2.094 -1.84091756097561 -2.30802771702516 -3.4737 -0.9708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F03 compound treatment -0.678 -0.333 -0.33 -1.696 -1.34 -1.24 -1.1 -0.84691756097561 -1.061812460375 -1.5196 -0.9126 2141216 PK04_097103 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F04 compound treatment -0.73 -0.385 -0.38 -1.921 -1.56 -1.45 -1.632 -1.37891756097561 -1.72880090759621 -2.0549 -0.8985 2142933 PK04_097104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F05 compound treatment -0.384 -0.0389 -0.04 -1.726 -1.37 -1.27 -1.907 -1.65391756097561 -2.07357877035154 -1.9511 -0.8028 2141355 PK04_097105 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F06 compound treatment -0.371 -0.0259 -0.03 -0.508 -0.15 -0.14 -0.591 -0.33791756097561 -0.423659979856958 -0.3399 -0.7609 2142833 PK04_097106 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F07 compound treatment -0.593 -0.248 -0.25 -0.213 0.145 0.13 -0.46 -0.20691756097561 -0.259420343417148 -0.2148 -0.5621 2141414 PK04_097107 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F08 compound treatment -0.565 -0.22 -0.22 -1.25 -0.892 -0.83 -0.801 -0.54791756097561 -0.686944893233753 -0.9999 -0.9118 2144249 PK04_097108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F09 mock treatment -0.736 -0.391 -0.39 -1.653 -1.3 -1.2 -0.801 -0.54791756097561 -0.686944893233753 -1.3135 -0.9148 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F10 mock treatment -1.666 -1.32 -1.31 -2.264 -1.91 -1.77 -0.741 -0.48791756097561 -0.611720632268955 -2.1305 -0.933 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F11 compound treatment -0.656 -0.311 -0.31 -1.094 -0.736 -0.68 -0.459 -0.20591756097561 -0.258166605734402 -0.7212 -0.9107 2141568 PK04_097109 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F12 compound treatment -1.089 -0.744 -0.74 -1.886 -1.53 -1.42 -0.719 -0.46591756097561 -0.584138403248529 -1.5813 -0.93 2142765 PK04_097110 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F13 compound treatment -1.107 -0.762 -0.76 -2.674 -2.32 -2.14 -1.271 -1.01791756097561 -1.27620160412468 -2.4125 -0.9249 2141348 PK04_097111 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F14 compound treatment -1.333 -0.988 -0.98 -2.499 -2.14 -1.98 -1.578 -1.32491756097561 -1.66109907272789 -2.6709 -0.9653 2142645 PK04_097112 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F15 compound treatment -0.873 -0.528 -0.52 -2.271 -1.91 -1.77 -1.473 -1.21991756097561 -1.5294566160395 -2.2089 -0.9209 2141505 PK04_097113 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F16 compound treatment -0.956 -0.611 -0.61 -2.443 -2.09 -1.93 -1.921 -1.66791756097561 -2.09113109790999 -2.6728 -0.9184 2142977 PK04_097114 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F17 mock treatment -0.369 -0.0239 -0.02 -1.969 -1.61 -1.49 -2.063 -1.80991756097561 -2.26916184886002 -2.1853 -0.8046 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F18 mock treatment -1.126 -0.781 -0.78 -1.147 -0.789 -0.73 -1.587 -1.33391756097561 -1.67238271187261 -1.8358 -0.9256 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F19 compound treatment -0.571 -0.226 -0.22 -1.22 -0.862 -0.8 -0.758 -0.50491756097561 -0.633034172875648 -0.9562 -0.9164 2141200 PK04_097115 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F20 compound treatment 0.335 0.68 0.68 0.537 0.895 0.83 0.079 0.33208243902439 0.416344267583292 1.109 0.9665 2142045 PK04_097116 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F21 compound treatment -0.897 -0.552 -0.55 -1.725 -1.37 -1.27 -0.682 -0.42891756097561 -0.537750108986903 -1.3583 -0.9171 2141938 PK04_097117 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F22 compound treatment -0.967 -0.622 -0.62 -2.018 -1.66 -1.54 -0.548 -0.29491756097561 -0.369749259498853 -1.4581 -0.8588 2144373 PK04_097118 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F23 compound treatment -1.496 -1.15 -1.14 -1.876 -1.52 -1.41 -1.043 -0.78991756097561 -0.990349412458441 -2.0441 -0.9896 2141419 PK04_097119 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 F24 compound treatment -0.719 -0.374 -0.37 -1.387 -1.03 -0.95 -0.516 -0.26291756097561 -0.32962965365096 -0.9553 -0.8887 2142769 PK04_097120 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G01 compound treatment -0.843 -0.498 -0.5 -1.342 -0.984 -0.91 -0.931 -0.67791756097561 -0.849930791990817 -1.3028 -0.9715 2141178 PK04_097121 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G02 compound treatment -0.485 -0.14 -0.14 -1.381 -1.02 -0.95 -0.054 0.19908243902439 0.249597155777988 -0.4833 -0.4883 2141487 PK04_097122 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G03 mock treatment 0.263 0.608 0.6 0.28 0.638 0.59 0.179 0.43208243902439 0.541718035857956 1.0026 0.9989 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G04 mock treatment -0.795 -0.45 -0.45 -1.38 -1.02 -0.95 -0.956 -0.70291756097561 -0.881274234059483 -1.3136 -0.9599 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G05 compound treatment -0.326 0.0191 0.02 -0.469 -0.111 -0.1 -1.051 -0.79791756097561 -1.00037931392041 -0.6262 -0.6225 2141519 PK04_097123 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G06 compound treatment 0.408 0.753 0.75 0.345 0.703 0.65 0.146 0.39908243902439 0.500344692327317 1.0967 0.9872 2141537 PK04_097124 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G07 compound treatment -0.684 -0.339 -0.34 -1.557 -1.2 -1.11 -1.136 -0.88291756097561 -1.10694701695388 -1.4748 -0.9196 2141722 PK04_097125 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G08 compound treatment -0.539 -0.194 -0.19 -0.373 -0.0154 -0.01 -0.519 -0.26591756097561 -0.3333908666992 -0.312 -0.8096 2141577 PK04_097126 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G09 compound treatment -1.225 -0.88 -0.87 -1.176 -0.818 -0.76 -1.311 -1.05791756097561 -1.32635111143454 -1.7083 -0.9705 2141458 PK04_097127 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G10 compound treatment -1.473 -1.13 -1.12 -1.277 -0.919 -0.85 -0.633 -0.37991756097561 -0.476316962532317 -1.4139 -0.9513 2141190 PK04_097128 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G11 compound treatment -1.173 -0.828 -0.82 -0.743 -0.385 -0.36 -0.778 -0.52491756097561 -0.658108926530581 -1.0612 -0.9538 2141333 PK04_097129 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G12 compound treatment -0.705 -0.36 -0.36 -0.884 -0.526 -0.49 -0.724 -0.47091756097561 -0.590407091662262 -0.8289 -0.9808 2141508 PK04_097130 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G13 compound treatment -0.782 -0.437 -0.43 -2.282 -1.92 -1.78 -0.365 -0.11191756097561 -0.140315263556217 -1.3606 -0.7397 2141118 PK04_097131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G14 compound treatment -1.034 -0.689 -0.68 -1.871 -1.51 -1.4 -0.398 -0.14491756097561 -0.181688607086857 -1.3094 -0.8338 2141927 PK04_097132 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G15 compound treatment -0.796 -0.451 -0.45 -1.91 -1.55 -1.44 -0.855 -0.60191756097561 -0.754646728102072 -1.5244 -0.9051 2141159 PK04_097133 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G16 compound treatment 1.063 1.41 1.36 -0.474 -0.116 -0.11 -0.031 0.22208243902439 0.278433122481161 0.883 0.6347 2141713 PK04_097134 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G17 compound treatment -0.28 0.0651 0.06 -0.393 -0.0354 -0.03 -0.766 -0.51291756097561 -0.643064074337621 -0.3528 -0.5452 2141795 PK04_097135 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G18 compound treatment -0.6 -0.255 -0.25 -1.415 -1.06 -0.98 -1.269 -1.01591756097561 -1.27369412875918 -1.447 -0.8897 2141553 PK04_097136 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G19 mock treatment -1.129 -0.784 -0.78 -1.451 -1.09 -1.01 -1.385 -1.13191756097561 -1.41912769995779 -1.8538 -0.9708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G20 mock treatment -1.375 -1.03 -1.02 -1.742 -1.38 -1.28 -1.521 -1.26791756097561 -1.58963602481134 -2.249 -0.9845 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G21 compound treatment -0.758 -0.413 -0.41 -0.305 0.0526 0.05 -0.222 0.03108243902439 0.0389692250765525 -0.1864 -0.4489 2141819 PK04_097137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G22 compound treatment -2.852 -2.51 -2.49 -2.062 -1.7 -1.58 -1.221 -0.96791756097561 -1.21351471998734 -3.0507 -0.9564 2141516 PK04_097138 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G23 compound treatment -1.276 -0.931 -0.93 -0.855 -0.497 -0.46 -0.72 -0.46691756097561 -0.585392140931275 -1.1382 -0.9581 2141691 PK04_097139 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 G24 compound treatment -1.428 -1.08 -1.08 -1.124 -0.766 -0.71 -0.885 -0.63191756097561 -0.792258858584471 -1.4887 -0.9837 2141155 PK04_097140 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H01 compound treatment -1.157 -0.812 -0.81 -1.096 -0.738 -0.68 -0.69 -0.43691756097561 -0.547780010448876 -1.177 -0.9881 2141157 PK04_097141 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H02 compound treatment -0.416 -0.0709 -0.07 -1.183 -0.825 -0.76 -0.023 0.23008243902439 0.288463023943134 -0.3154 -0.3847 2143037 PK04_097142 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H03 mock treatment -1.482 -1.14 -1.13 -1.183 -0.825 -0.76 -1.561 -1.30791756097561 -1.6397855321212 -2.0406 -0.9566 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H04 mock treatment -1.107 -0.762 -0.76 -1.342 -0.984 -0.91 -0.631 -0.37791756097561 -0.473809487166824 -1.2371 -0.9693 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H05 compound treatment -0.566 -0.221 -0.22 -1.03 -0.672 -0.62 -1.076 -0.82291756097561 -1.03172275598908 -1.0819 -0.8833 2141926 PK04_097143 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H06 compound treatment -0.339 0.00607 0.01 -0.2 0.158 0.15 -0.654 -0.40091756097561 -0.502645453869997 -0.2025 -0.3868 2143177 PK04_097144 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H07 compound treatment -2.236 -1.89 -1.88 -1.371 -1.01 -0.94 -1.27 -1.01691756097561 -1.27494786644193 -2.3632 -0.9616 2141694 PK04_097145 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H08 compound treatment -0.923 -0.578 -0.57 -0.92 -0.562 -0.52 -0.685 -0.43191756097561 -0.541511322035143 -0.945 -0.9992 2143025 PK04_097146 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H09 compound treatment -0.606 -0.261 -0.26 -0.754 -0.396 -0.37 -0.542 -0.28891756097561 -0.362226833402373 -0.5708 -0.9888 2141749 PK04_097147 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H10 compound treatment -1.856 -1.51 -1.5 -1.018 -0.66 -0.61 -0.942 -0.68891756097561 -0.86372190650103 -1.719 -0.9355 2143077 PK04_097148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H11 compound treatment -1.0 -0.655 -0.65 -0.5 -0.142 -0.13 -0.392 -0.13891756097561 -0.174166180990377 -0.5526 -0.8046 2141097 PK04_097149 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H12 compound treatment 0.182 0.527 0.52 0.2 0.558 0.52 -0.068 0.18508243902439 0.232044828219535 0.7346 0.9523 2142913 PK04_097150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H13 compound treatment -0.447 -0.102 -0.1 -1.083 -0.725 -0.67 -0.717 -0.46391756097561 -0.581630927883035 -0.7821 -0.8746 2141401 PK04_097151 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H14 compound treatment -0.328 0.0171 0.02 -1.375 -1.02 -0.94 -0.824 -0.57091756097561 -0.715780859936926 -0.9474 -0.8006 2143093 PK04_097152 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H15 compound treatment -2.436 -2.09 -2.08 -1.237 -0.879 -0.81 -1.79 -1.53691756097561 -1.92689146147018 -2.7828 -0.9436 2141777 PK04_097153 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H16 compound treatment -0.926 -0.581 -0.58 -1.277 -0.919 -0.85 -0.453 -0.19991756097561 -0.250644179637922 -0.9697 -0.9158 2143865 PK04_097154 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H17 compound treatment 0.248 0.593 0.59 -0.173 0.185 0.17 0.111 0.36408243902439 0.456463873431184 0.7026 0.9185 2141142 PK04_097155 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H18 compound treatment -0.924 -0.579 -0.58 -0.252 0.106 0.1 -0.965 -0.71191756097561 -0.892557873204203 -0.7912 -0.7418 2143925 PK04_097156 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H19 mock treatment -2.181 -1.84 -1.83 -1.42 -1.06 -0.98 -1.349 -1.09591756097561 -1.37399314337891 -2.415 -0.9709 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H20 mock treatment -1.588 -1.24 -1.24 -1.241 -0.883 -0.82 -1.064 -0.81091756097561 -1.01667790379612 -1.7727 -0.9864 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H21 compound treatment -1.477 -1.13 -1.13 -1.072 -0.714 -0.66 -0.76 -0.50691756097561 -0.635541648241141 -1.3985 -0.9633 2141168 PK04_097157 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H22 compound treatment 0.425 0.77 0.77 0.217 0.575 0.53 0.137 0.39008243902439 0.489061053182597 1.0315 0.9798 2143057 PK04_097158 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H23 compound treatment -2.179 -1.83 -1.82 -0.97 -0.612 -0.57 -0.802 -0.54891756097561 -0.6881986309165 -1.7774 -0.8757 2141804 PK04_097159 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 H24 compound treatment -1.283 -0.938 -0.93 -1.32 -0.962 -0.89 -0.914 -0.66091756097561 -0.828617251384124 -1.5312 -0.9988 2142649 PK04_097160 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I01 compound treatment -0.886 -0.541 -0.54 -1.793 -1.44 -1.33 -0.999 -0.74591756097561 -0.935184954417589 -1.6178 -0.9451 2141890 PK04_097161 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I02 compound treatment -0.769 -0.424 -0.42 -2.018 -1.66 -1.54 -0.861 -0.60791756097561 -0.762169154198552 -1.571 -0.8891 2141465 PK04_097162 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I03 compound treatment -0.351 -0.00593 -0.01 -1.596 -1.24 -1.15 0.495 0.74808243902439 0.937899143605895 -0.1239 -0.0837 2141772 PK04_097163 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I04 compound treatment -0.797 -0.452 -0.45 -0.858 -0.5 -0.46 -0.948 -0.69491756097561 -0.87124433259751 -1.0299 -0.9499 2141343 PK04_097164 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I05 mock treatment -1.257 -0.912 -0.91 -1.153 -0.795 -0.74 -1.153 -0.89991756097561 -1.12826055756057 -1.6 -0.9853 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I06 mock treatment -1.524 -1.18 -1.17 -0.866 -0.508 -0.47 -0.793 -0.53991756097561 -0.67691499177178 -1.3393 -0.9346 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I07 compound treatment -1.22 -0.875 -0.87 -0.946 -0.588 -0.54 -0.779 -0.52591756097561 -0.659362664213327 -1.1974 -0.9816 2141794 PK04_097165 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I08 compound treatment -0.293 0.0521 0.05 -0.225 0.133 0.12 -0.529 -0.27591756097561 -0.345928243526667 -0.0989 -0.2669 2141922 PK04_097166 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I09 compound treatment -1.404 -1.06 -1.05 -2.664 -2.31 -2.14 -0.907 -0.65391756097561 -0.819841087604897 -2.3141 -0.919 2141780 PK04_097167 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I10 compound treatment -1.353 -1.01 -1.0 -0.841 -0.483 -0.45 -1.205 -0.95191756097561 -1.1934549170634 -1.526 -0.9412 2141799 PK04_097168 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I11 compound treatment -1.793 -1.45 -1.44 -1.441 -1.08 -1.0 -0.573 -0.31991756097561 -0.401092701567519 -1.6418 -0.9122 2141177 PK04_097169 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I12 compound treatment -1.881 -1.54 -1.53 -2.131 -1.77 -1.64 -1.44 -1.18691756097561 -1.48808327250886 -2.6888 -0.9991 2141747 PK04_097170 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I13 compound treatment -0.333 0.0121 0.01 -1.407 -1.05 -0.97 -0.691 -0.43791756097561 -0.549033748131623 -0.8711 -0.7804 2141423 PK04_097171 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I14 compound treatment -0.69 -0.345 -0.34 -2.088 -1.73 -1.6 -0.671 -0.41791756097561 -0.52395899447669 -1.4256 -0.8287 2141775 PK04_097172 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I15 compound treatment -0.575 -0.23 -0.23 -2.19 -1.83 -1.7 -1.22 -0.96691756097561 -1.2122609823046 -1.8115 -0.8635 2141538 PK04_097173 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I16 compound treatment -0.793 -0.448 -0.45 -0.742 -0.384 -0.36 -0.898 -0.64491756097561 -0.808557448460178 -0.9294 -0.9395 2065871 PK04_097174 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I17 compound treatment -0.937 -0.592 -0.59 -1.307 -0.949 -0.88 -1.101 -0.84791756097561 -1.06306619805775 -1.4611 -0.9742 2141729 PK04_097175 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I18 compound treatment -2.086 -1.74 -1.73 -0.514 -0.156 -0.14 -1.086 -0.83291756097561 -1.04426013281655 -1.6858 -0.8318 2141892 PK04_097176 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I19 compound treatment -0.681 -0.336 -0.33 -0.604 -0.246 -0.23 -0.371 -0.11791756097561 -0.147837689652697 -0.4099 -0.9518 2141687 PK04_097177 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I20 compound treatment 1.144 1.49 1.38 2.274 2.63 1.52 0.793 1.04608243902439 1.31151297306439 2.4359 0.9981 2141680 PK04_097178 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I21 mock treatment -1.587 -1.24 -1.23 -3.442 -3.08 -2.86 -1.073 -0.81991756097561 -1.02796154294084 -2.9552 -0.9019 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I22 mock treatment -2.25 -1.9 -1.89 -1.797 -1.44 -1.33 -0.966 -0.71291756097561 -0.893811610886949 -2.3789 -0.9584 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I23 compound treatment -0.798 -0.453 -0.45 -0.978 -0.62 -0.57 -0.302 -0.04891756097561 -0.0613297895431789 -0.627 -0.8561 2141841 PK04_097179 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 I24 compound treatment -2.447 -2.1 -2.09 -2.5 -2.14 -1.98 -1.585 -1.33191756097561 -1.66987523650712 -3.3159 -0.9957 2141766 PK04_097180 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J01 compound treatment -1.217 -0.872 -0.87 -2.517 -2.16 -2.0 -1.717 -1.46391756097561 -1.83536861062968 -2.7145 -0.9527 2141705 PK04_097181 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J02 compound treatment -0.9 -0.555 -0.55 -1.954 -1.6 -1.48 -1.062 -0.80891756097561 -1.01417042843063 -1.7575 -0.937 2143397 PK04_097182 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J03 compound treatment -0.795 -0.45 -0.45 -1.796 -1.44 -1.33 -1.33 -1.07691756097561 -1.35017212740673 -1.8067 -0.9272 2141179 PK04_097183 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J04 compound treatment -0.558 -0.213 -0.21 -1.614 -1.26 -1.16 -1.606 -1.35291756097561 -1.6962037278448 -1.7732 -0.8576 2144337 PK04_097184 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J05 mock treatment -0.261 0.0841 0.08 -0.798 -0.44 -0.41 -1.841 -1.58791756097561 -1.99083208329026 -1.3366 -0.6572 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J06 mock treatment -0.828 -0.483 -0.48 -1.022 -0.664 -0.62 -1.261 -1.00791756097561 -1.26366422729721 -1.362 -0.917 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J07 compound treatment -0.56 -0.215 -0.21 -1.096 -0.738 -0.68 -0.512 -0.25891756097561 -0.324614702919974 -0.7055 -0.8971 2141805 PK04_097185 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J08 compound treatment -0.842 -0.497 -0.49 -1.148 -0.79 -0.73 -0.642 -0.38891756097561 -0.487600601677037 -0.9893 -0.9808 2143365 PK04_097186 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J09 compound treatment -0.972 -0.627 -0.62 -2.317 -1.96 -1.81 -0.598 -0.34491756097561 -0.432436143636185 -1.657 -0.8426 2141901 PK04_097187 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J10 compound treatment -0.772 -0.427 -0.42 -1.979 -1.62 -1.5 -0.599 -0.34591756097561 -0.433689881318932 -1.3622 -0.8412 2144881 PK04_097188 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J11 compound treatment -0.841 -0.496 -0.49 -1.105 -0.747 -0.69 -0.612 -0.35891756097561 -0.449988471194638 -0.944 -0.9818 2141717 PK04_097189 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J12 compound treatment -1.166 -0.821 -0.82 -2.003 -1.65 -1.52 -0.639 -0.38591756097561 -0.483839388628797 -1.6302 -0.9083 2143405 PK04_097190 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J13 compound treatment -1.427 -1.08 -1.08 -2.301 -1.94 -1.8 -1.559 -1.30591756097561 -1.63727805675571 -2.6052 -0.9794 2141188 PK04_097191 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J14 compound treatment -0.231 0.114 0.11 -1.559 -1.2 -1.11 -0.628 -0.37491756097561 -0.470048274118584 -0.8482 -0.6993 2142929 PK04_097192 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J15 compound treatment -0.608 -0.263 -0.26 -1.42 -1.06 -0.98 -0.723 -0.46991756097561 -0.589153353979515 -1.059 -0.9005 2141365 PK04_097193 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J16 compound treatment -0.702 -0.357 -0.35 -1.82 -1.46 -1.35 -2.0 -1.74691756097561 -2.19017637484698 -2.2512 -0.8661 2144325 PK04_097194 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J17 compound treatment -0.334 0.0111 0.01 -1.553 -1.2 -1.11 -1.138 -0.88491756097561 -1.10945449231937 -1.2732 -0.8124 2141221 PK04_097195 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J18 compound treatment -0.283 0.0621 0.06 -0.441 -0.0834 -0.08 -0.479 -0.22591756097561 -0.283241359389335 -0.1725 -0.575 2143377 PK04_097196 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J19 compound treatment -1.065 -0.72 -0.72 -2.024 -1.67 -1.54 -0.981 -0.72791756097561 -0.912617676128149 -1.831 -0.9486 2141815 PK04_097197 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J20 compound treatment -0.246 0.0991 0.1 -0.469 -0.111 -0.1 -1.081 -0.82791756097561 -1.03799144440281 -0.602 -0.5745 2142585 PK04_097198 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J21 mock treatment -1.474 -1.13 -1.12 -2.746 -2.39 -2.21 -1.359 -1.10591756097561 -1.38653052020638 -2.7253 -0.9592 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J22 mock treatment -1.868 -1.52 -1.51 -2.797 -2.44 -2.26 -1.044 -0.79091756097561 -0.991603150141187 -2.7507 -0.9504 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J23 compound treatment -1.503 -1.16 -1.15 -1.556 -1.2 -1.11 -0.859 -0.60591756097561 -0.759661678833059 -1.7439 -0.9851 2141186 PK04_097199 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 J24 compound treatment 0.076 0.421 0.42 0.249 0.607 0.56 -0.043 0.21008243902439 0.263388270288202 0.718 0.9594 2144237 PK04_097200 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K01 compound treatment -1.419 -1.07 -1.07 -1.792 -1.43 -1.33 -1.145 -0.89191756097561 -1.1182306560986 -2.0288 -0.9954 2141164 PK04_097201 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K02 compound treatment -0.713 -0.368 -0.37 -0.51 -0.152 -0.14 -0.216 0.03708243902439 0.0464916511730324 -0.2658 -0.6733 2141443 PK04_097202 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K03 compound treatment -0.411 -0.0659 -0.07 0.103 0.461 0.43 0.632 0.88508243902439 1.10966120614219 0.8491 0.7131 2141548 PK04_097203 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K04 compound treatment -0.886 -0.541 -0.54 -1.898 -1.54 -1.43 -0.408 -0.15491756097561 -0.194225983914323 -1.2461 -0.8109 2141351 PK04_097204 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K05 compound treatment -0.107 0.238 0.24 -0.233 0.125 0.12 -0.646 -0.39291756097561 -0.492615552408024 -0.0812 -0.1453 2141786 PK04_097205 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K06 compound treatment 0.292 0.637 0.63 0.234 0.592 0.55 0.074 0.32708243902439 0.410075579169559 0.9187 0.9853 2141746 PK04_097206 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K07 mock treatment -1.099 -0.754 -0.75 -1.086 -0.728 -0.67 -1.257 -1.00391756097561 -1.25864927656622 -1.5488 -0.9604 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K08 mock treatment -0.017 0.328 0.33 -0.12 0.238 0.22 0.456 0.70908243902439 0.889003373978776 0.8286 0.8523 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K09 compound treatment -0.985 -0.64 -0.64 -0.2 0.158 0.15 0.648 0.90108243902439 1.12972100906613 0.3692 0.283 2141350 PK04_097207 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K10 compound treatment -1.482 -1.14 -1.13 -1.166 -0.808 -0.75 -0.99 -0.73691756097561 -0.923901315272869 -1.6182 -0.9863 2141331 PK04_097208 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K11 compound treatment -0.961 -0.616 -0.61 -0.967 -0.609 -0.56 -0.767 -0.51391756097561 -0.644317812020368 -1.0513 -0.9985 2141806 PK04_097209 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K12 compound treatment -0.928 -0.583 -0.58 -0.804 -0.446 -0.41 -0.592 -0.33891756097561 -0.424913717539705 -0.8186 -0.9874 2141720 PK04_097210 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K13 compound treatment -0.683 -0.338 -0.34 -0.846 -0.488 -0.45 -0.762 -0.50891756097561 -0.638049123606634 -0.8234 -0.9674 2141904 PK04_097211 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K14 compound treatment -0.529 -0.184 -0.18 -1.986 -1.63 -1.51 -0.826 -0.57291756097561 -0.718288335302419 -1.3908 -0.8278 2141222 PK04_097212 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K15 mock treatment -1.114 -0.769 -0.76 -2.031 -1.67 -1.55 -1.045 -0.79191756097561 -0.992856887823934 -1.9092 -0.9581 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K16 mock treatment -0.821 -0.476 -0.47 -1.458 -1.1 -1.02 -0.193 0.06008243902439 0.0753276178762051 -0.818 -0.7265 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K17 compound treatment -0.107 0.238 0.24 -0.359 -0.00139 0.0 -1.011 -0.75791756097561 -0.950229806610548 -0.4127 -0.4215 2141773 PK04_097213 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K18 compound treatment -0.846 -0.501 -0.5 -1.838 -1.48 -1.37 -1.245 -0.99191756097561 -1.24360442437326 -1.7969 -0.9375 2141524 PK04_097214 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K19 compound treatment -0.381 -0.0359 -0.04 0.471 0.829 0.77 0.006 0.25908243902439 0.324821416742787 0.6099 0.7313 2141218 PK04_097215 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K20 compound treatment -0.731 -0.386 -0.38 -0.615 -0.257 -0.24 -0.677 -0.42391756097561 -0.53148142057317 -0.666 -0.9548 2141861 PK04_097216 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K21 compound treatment -2.089 -1.74 -1.73 -0.132 0.226 0.21 -0.945 -0.69191756097561 -0.86748311954927 -1.3812 -0.7084 2141117 PK04_097217 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K22 compound treatment -2.092 -1.75 -1.74 -1.472 -1.11 -1.03 -1.006 -0.75291756097561 -0.943961118196815 -2.1435 -0.9613 2141354 PK04_097218 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K23 mock treatment -1.688 -1.34 -1.34 -1.035 -0.677 -0.63 -1.095 -0.84191756097561 -1.05554377196127 -1.7424 -0.9606 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 K24 mock treatment -1.767 -1.42 -1.41 -1.219 -0.861 -0.8 -0.884 -0.63091756097561 -0.791005120901725 -1.7333 -0.96 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L01 compound treatment -0.494 -0.149 -0.15 0.461 0.819 0.76 -0.916 -0.66291756097561 -0.831124726749617 -0.1277 -0.1126 2141684 PK04_097219 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L02 compound treatment -0.273 0.0721 0.07 -1.151 -0.793 -0.73 -1.047 -0.79391756097561 -0.995364363189427 -0.9575 -0.7726 2143489 PK04_097220 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L03 compound treatment -2.335 -1.99 -1.98 -1.708 -1.35 -1.25 -1.709 -1.45591756097561 -1.8253387091677 -2.918 -0.9831 2141375 PK04_097221 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L04 compound treatment -0.928 -0.583 -0.58 -1.487 -1.13 -1.05 -0.261 -0.00791756097561003 -0.00992654455056656 -0.9441 -0.7896 2143313 PK04_097222 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L05 compound treatment -0.59 -0.245 -0.24 -0.617 -0.259 -0.24 -0.142 0.11108243902439 0.139268239696284 -0.1988 -0.5385 2141889 PK04_097223 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L06 compound treatment -1.03 -0.685 -0.68 -1.422 -1.06 -0.99 -1.043 -0.78991756097561 -0.990349412458441 -1.5339 -0.9869 2144793 PK04_097224 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L07 mock treatment -1.657 -1.31 -1.3 -0.961 -0.603 -0.56 -1.03 -0.77691756097561 -0.974050822582734 -1.638 -0.9517 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L08 mock treatment -1.036 -0.691 -0.69 -1.24 -0.882 -0.82 -0.818 -0.56491756097561 -0.708258433840446 -1.2772 -0.997 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L09 compound treatment -1.922 -1.58 -1.57 -1.23 -0.872 -0.81 -0.985 -0.73191756097561 -0.917632626859135 -1.9013 -0.9564 2141438 PK04_097225 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L10 compound treatment -1.914 -1.57 -1.56 -1.303 -0.945 -0.88 -0.996 -0.74291756097561 -0.931423741369349 -1.9437 -0.9638 2142993 PK04_097226 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L11 compound treatment -1.122 -0.777 -0.77 -0.249 0.109 0.1 -0.274 -0.02091756097561 -0.0262251344262729 -0.403 -0.5171 2141185 PK04_097227 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L12 compound treatment -1.719 -1.37 -1.37 -1.429 -1.07 -0.99 -1.058 -0.80491756097561 -1.00915547769964 -1.944 -0.9884 2144653 PK04_097228 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L13 compound treatment -0.992 -0.647 -0.64 -0.824 -0.466 -0.43 -0.881 -0.62791756097561 -0.787243907853485 -1.0752 -0.9735 2141893 PK04_097229 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L14 compound treatment -0.03 0.315 0.31 -0.713 -0.355 -0.33 -0.685 -0.43191756097561 -0.541511322035143 -0.3218 -0.4552 2143417 PK04_097230 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L15 mock treatment -1.672 -1.33 -1.32 -1.5 -1.14 -1.06 -1.807 -1.55391756097561 -1.94820500207688 -2.4971 -0.968 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L16 mock treatment -2.811 -2.47 -2.45 -2.078 -1.72 -1.59 -1.123 -0.86991756097561 -1.09064842707817 -2.9648 -0.9501 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L17 compound treatment -0.245 0.1 0.1 -0.732 -0.374 -0.35 -0.062 0.19108243902439 0.239567254316015 -0.0044 -0.0102 2141152 PK04_097231 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L18 compound treatment -1.15 -0.805 -0.8 -1.324 -0.966 -0.89 -1.006 -0.75291756097561 -0.943961118196815 -1.5236 -0.9977 2143325 PK04_097232 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L19 compound treatment -1.609 -1.26 -1.26 -1.227 -0.869 -0.81 -1.002 -0.74891756097561 -0.938946167465828 -1.7323 -0.9825 2141709 PK04_097233 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L20 compound treatment -1.353 -1.01 -1.0 -0.961 -0.603 -0.56 -0.963 -0.70991756097561 -0.890050397838709 -1.415 -0.9745 2142773 PK04_097234 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L21 compound treatment -1.358 -1.01 -1.01 -1.063 -0.705 -0.65 -1.037 -0.78391756097561 -0.982826986361961 -1.5259 -0.9836 2141174 PK04_097235 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L22 compound treatment -2.161 -1.82 -1.81 -1.674 -1.32 -1.22 -1.17 -0.91691756097561 -1.14957409816726 -2.4098 -0.9784 2142985 PK04_097236 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L23 mock treatment -2.502 -2.16 -2.14 -0.793 -0.435 -0.4 -0.764 -0.51091756097561 -0.640556598972128 -1.8406 -0.8094 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 L24 mock treatment -0.102 0.243 0.24 0.081 0.439 0.41 0.1 0.35308243902439 0.442672758920971 0.6296 0.9723 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M01 compound treatment 0.256 0.601 0.6 0.454 0.812 0.75 0.258 0.51108243902439 0.640763312794941 1.1488 0.9953 2141838 PK04_097237 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M02 compound treatment -0.546 -0.201 -0.2 -1.525 -1.17 -1.08 -0.679 -0.42591756097561 -0.533988895938663 -1.0477 -0.8573 2141189 PK04_097238 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M03 compound treatment -0.212 0.133 0.13 -0.638 -0.28 -0.26 -0.639 -0.38591756097561 -0.483839388628797 -0.3529 -0.6247 2141724 PK04_097239 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M04 compound treatment -0.641 -0.296 -0.29 -0.644 -0.286 -0.27 -0.759 -0.50591756097561 -0.634287910558394 -0.6892 -0.9216 2141153 PK04_097240 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M05 compound treatment -1.162 -0.817 -0.81 -1.037 -0.679 -0.63 -0.685 -0.43191756097561 -0.541511322035143 -1.1447 -0.9858 2141436 PK04_097241 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M06 compound treatment -1.211 -0.866 -0.86 0.025 0.383 0.35 -0.664 -0.41091756097561 -0.515182830697463 -0.5899 -0.5545 2141769 PK04_097242 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M07 compound treatment -0.051 0.294 0.29 -0.896 -0.538 -0.5 -0.893 -0.63991756097561 -0.802288760046444 -0.5822 -0.5888 2141771 PK04_097243 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M08 compound treatment -0.494 -0.149 -0.15 -0.469 -0.111 -0.1 -0.324 -0.07091756097561 -0.088912018563605 -0.1964 -0.9762 2141480 PK04_097244 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M09 mock treatment -1.356 -1.01 -1.01 -2.353 -2.0 -1.85 -0.942 -0.68891756097561 -0.86372190650103 -2.1457 -0.9437 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M10 mock treatment -1.752 -1.41 -1.4 -1.893 -1.54 -1.42 -0.876 -0.62291756097561 -0.780975219439752 -2.0793 -0.9708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M11 compound treatment -1.311 -0.966 -0.96 -2.303 -1.95 -1.8 -0.537 -0.28391756097561 -0.35595814498864 -1.7999 -0.8686 2141571 PK04_097245 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M12 compound treatment -3.324 -2.98 -2.96 -3.396 -3.04 -2.81 -2.079 -1.82591756097561 -2.28922165178396 -4.6558 -0.9943 2141879 PK04_097246 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M13 mock treatment -0.615 -0.27 -0.27 -2.532 -2.17 -2.01 -1.363 -1.10991756097561 -1.39154547093737 -2.1208 -0.8614 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M14 mock treatment -0.718 -0.373 -0.37 -1.362 -1.0 -0.93 -0.866 -0.61291756097561 -0.768437842612285 -1.1947 -0.9466 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M15 compound treatment -0.609 -0.264 -0.26 -1.494 -1.14 -1.05 -0.846 -0.59291756097561 -0.743363088957352 -1.1882 -0.9037 2141832 PK04_097247 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M16 compound treatment -0.804 -0.459 -0.46 -2.205 -1.85 -1.71 -1.826 -1.57291756097561 -1.97202601804906 -2.3896 -0.9017 2141542 PK04_097248 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M17 compound treatment 0.055 0.4 0.4 -0.787 -0.429 -0.4 -0.234 0.01908243902439 0.0239243728835928 0.0139 0.0247 2141399 PK04_097249 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M18 compound treatment -1.092 -0.747 -0.74 -0.76 -0.402 -0.37 -1.028 -0.77491756097561 -0.971543347217241 -1.2048 -0.9424 2141903 PK04_097250 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M19 compound treatment -1.855 -1.51 -1.5 -1.153 -0.795 -0.74 -0.991 -0.73791756097561 -0.925155052955615 -1.826 -0.9556 2141716 PK04_097251 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M20 compound treatment -0.758 -0.413 -0.41 -0.582 -0.224 -0.21 -0.51 -0.25691756097561 -0.32210722755448 -0.5429 -0.9667 2141203 PK04_097252 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M21 compound treatment -1.632 -1.29 -1.28 -1.598 -1.24 -1.15 -1.15 -0.89691756097561 -1.12449934451233 -2.051 -0.9984 2141110 PK04_097253 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M22 compound treatment -1.587 -1.24 -1.23 -1.543 -1.19 -1.1 -0.788 -0.53491756097561 -0.670646303358047 -1.7338 -0.9724 2141731 PK04_097254 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M23 compound treatment -2.306 -1.96 -1.95 -2.531 -2.17 -2.01 -0.667 -0.41391756097561 -0.518944043745703 -2.587 -0.9079 2141095 PK04_097255 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 M24 compound treatment -2.759 -2.41 -2.4 -2.714 -2.36 -2.18 -1.773 -1.51991756097561 -1.90557792086349 -3.7455 -0.9957 2141894 PK04_097256 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N01 compound treatment -1.695 -1.35 -1.34 -2.716 -2.36 -2.18 -1.859 -1.60591756097561 -2.0133993615797 -3.1981 -0.9812 2141340 PK04_097257 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N02 compound treatment -0.641 -0.296 -0.29 -2.107 -1.75 -1.62 -0.968 -0.71491756097561 -0.896319086252443 -1.6226 -0.8656 2142089 PK04_097258 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N03 compound treatment -0.457 -0.112 -0.11 -1.384 -1.03 -0.95 -0.261 -0.00791756097561003 -0.00992654455056656 -0.6187 -0.6465 2141511 PK04_097259 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N04 compound treatment -0.74 -0.395 -0.39 -1.992 -1.63 -1.51 -2.082 -1.82891756097561 -2.2929828648322 -2.4243 -0.8735 2144305 PK04_097260 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N05 compound treatment -0.509 -0.164 -0.16 -2.043 -1.69 -1.56 -0.448 -0.19491756097561 -0.244375491224189 -1.1362 -0.7155 2141839 PK04_097261 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N06 compound treatment -0.339 0.00607 0.01 -0.193 0.165 0.15 -0.58 -0.32691756097561 -0.409868865346745 -0.1452 -0.3319 2142057 PK04_097262 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N07 compound treatment -0.946 -0.601 -0.6 -1.677 -1.32 -1.22 -0.652 -0.39891756097561 -0.500137978504504 -1.339 -0.9241 2141431 PK04_097263 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N08 compound treatment -0.583 -0.238 -0.24 -1.04 -0.682 -0.63 -0.815 -0.56191756097561 -0.704497220792206 -0.9081 -0.931 2144369 PK04_097264 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N09 mock treatment -1.353 -1.01 -1.0 -2.092 -1.73 -1.61 -1.114 -0.86091756097561 -1.07936478793345 -2.1289 -0.977 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N10 mock treatment -2.109 -1.76 -1.75 -2.468 -2.11 -1.95 -0.958 -0.70491756097561 -0.883781709424976 -2.6509 -0.9569 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N11 compound treatment -2.401 -2.06 -2.04 -2.418 -2.06 -1.91 -1.281 -1.02791756097561 -1.28873898095214 -3.0256 -0.9828 2141527 PK04_097265 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N12 compound treatment -0.723 -0.378 -0.38 -1.372 -1.01 -0.94 -0.553 -0.29991756097561 -0.376017947912586 -0.9763 -0.9046 2144009 PK04_097266 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N13 mock treatment -1.229 -0.884 -0.88 -1.998 -1.64 -1.52 -1.505 -1.25191756097561 -1.56957622188739 -2.2905 -0.9729 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N14 mock treatment -0.883 -0.538 -0.53 -1.767 -1.41 -1.31 -1.276 -1.02291756097561 -1.28247029253841 -1.8027 -0.9457 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N15 compound treatment -0.611 -0.266 -0.26 -1.444 -1.09 -1.01 -0.293 -0.03991756097561 -0.0500461503984591 -0.7623 -0.7321 2141907 PK04_097267 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N16 compound treatment -0.769 -0.424 -0.42 -1.846 -1.49 -1.38 -2.224 -1.97091756097561 -2.47101361578223 -2.4657 -0.8619 2143157 PK04_097268 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N17 compound treatment -0.342 0.00307 0.0 -1.384 -1.03 -0.95 -0.476 -0.22291756097561 -0.279480146341095 -0.7083 -0.715 2141544 PK04_097269 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N18 compound treatment -0.516 -0.171 -0.17 -0.841 -0.483 -0.45 -1.189 -0.93591756097561 -1.17339511413945 -1.034 -0.8159 2144297 PK04_097270 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N19 compound treatment -0.403 -0.0579 -0.06 -0.825 -0.467 -0.43 -0.34 -0.08691756097561 -0.108971821487551 -0.346 -0.769 2141483 PK04_097271 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N20 compound treatment -0.957 -0.612 -0.61 0.434 0.792 0.73 -0.007 0.24608243902439 0.308522826867081 0.2501 0.2498 2142217 PK04_097272 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N21 compound treatment 0.294 0.639 0.64 0.376 0.734 0.68 0.321 0.57408243902439 0.719748786807979 1.1745 0.9987 2141887 PK04_097273 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N22 compound treatment 0.346 0.691 0.69 0.494 0.852 0.79 0.141 0.39408243902439 0.494076003913584 1.1372 0.9831 2143065 PK04_097274 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N23 compound treatment -1.526 -1.18 -1.17 -1.556 -1.2 -1.11 -0.634 -0.38091756097561 -0.477570700215064 -1.5942 -0.9464 2141817 PK04_097275 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 N24 compound treatment -1.27 -0.925 -0.92 -1.055 -0.697 -0.65 -0.747 -0.49391756097561 -0.619243058365435 -1.2612 -0.9831 2144333 PK04_097276 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O01 compound treatment -1.576 -1.23 -1.22 -1.322 -0.964 -0.89 -0.995 -0.74191756097561 -0.930170003686602 -1.7591 -0.9896 2141166 PK04_097277 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O02 compound treatment 2.903 3.25 1.71 11.137 11.5 1.92 3.217 3.47008243902439 2.13781939604733 3.3261 0.9958 2141900 PK04_097278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O03 compound treatment 0.095 0.44 0.44 0.03 0.388 0.36 -0.312 -0.05891756097561 -0.0738671663706453 0.4172 0.731 2141790 PK04_097279 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O04 compound treatment -0.667 -0.322 -0.32 -1.317 -0.959 -0.89 0.031 0.28408243902439 0.356164858811453 -0.492 -0.4876 2141883 PK04_097280 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O05 compound treatment 0.06 0.405 0.4 -0.696 -0.338 -0.31 -1.018 -0.76491756097561 -0.959005970389775 -0.5021 -0.4622 2141427 PK04_097281 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O06 compound treatment -0.481 -0.136 -0.14 -1.781 -1.42 -1.32 -1.268 -1.01491756097561 -1.27244039107644 -1.5736 -0.8566 2141093 PK04_097282 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O07 compound treatment -0.85 -0.505 -0.5 -0.787 -0.429 -0.4 -0.896 -0.64291756097561 -0.806049973094684 -0.9847 -0.9566 2141812 PK04_097283 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O08 compound treatment -1.018 -0.673 -0.67 -0.867 -0.509 -0.47 -0.579 -0.32591756097561 -0.408615127663999 -0.8945 -0.9777 2141430 PK04_097284 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O09 compound treatment -0.96 -0.615 -0.61 -0.29 0.0676 0.06 -0.481 -0.22791756097561 -0.285748834754828 -0.4818 -0.7109 2141454 PK04_097285 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O10 compound treatment -2.181 -1.84 -1.83 -1.649 -1.29 -1.2 -1.181 -0.92791756097561 -1.16336521267748 -2.4158 -0.977 2141529 PK04_097286 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O11 mock treatment -1.969 -1.62 -1.61 -1.038 -0.68 -0.63 -0.921 -0.66791756097561 -0.837393415163351 -1.7793 -0.9244 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O12 mock treatment -1.629 -1.28 -1.28 -0.939 -0.581 -0.54 -0.7 -0.44691756097561 -0.560317387276342 -1.3713 -0.9176 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O13 compound treatment -0.606 -0.261 -0.26 -0.701 -0.343 -0.32 -0.393 -0.13991756097561 -0.175419918673123 -0.4346 -0.9739 2141368 PK04_097287 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O14 compound treatment -0.772 -0.427 -0.42 -1.35 -0.992 -0.92 -1.161 -0.90791756097561 -1.13829045902254 -1.4328 -0.9406 2141362 PK04_097288 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O15 compound treatment -0.454 -0.109 -0.11 -0.677 -0.319 -0.3 -0.728 -0.47491756097561 -0.595422042393248 -0.577 -0.8567 2141460 PK04_097289 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O16 compound treatment -0.141 0.204 0.2 0.276 0.634 0.59 0.267 0.52008243902439 0.652046951939661 0.8323 0.9245 2141860 PK04_097290 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O17 compound treatment -0.12 0.225 0.22 -1.005 -0.647 -0.6 -1.582 -1.32891756097561 -1.66611402345888 -1.1788 -0.6605 2141175 PK04_097291 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O18 compound treatment -0.305 0.0401 0.04 -1.257 -0.899 -0.83 -1.191 -0.93791756097561 -1.17590258950494 -1.1367 -0.7886 2141486 PK04_097292 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O19 compound treatment -0.836 -0.491 -0.49 -0.897 -0.539 -0.5 -1.126 -0.87291756097561 -1.09440964012641 -1.202 -0.9259 2141156 PK04_097293 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O20 compound treatment -0.564 -0.219 -0.22 -1.002 -0.644 -0.6 -0.243 0.01008243902439 0.012640733738873 -0.4629 -0.7286 2141685 PK04_097294 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O21 compound treatment -0.997 -0.652 -0.65 -0.291 0.0666 0.06 -0.582 -0.32891756097561 -0.412376340712239 -0.5767 -0.7483 2141094 PK04_097295 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O22 compound treatment -1.292 -0.947 -0.94 -1.016 -0.658 -0.61 -0.464 -0.21091756097561 -0.264435294148135 -1.0482 -0.9096 2141379 PK04_097296 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O23 compound treatment 0.378 0.723 0.72 -0.051 0.307 0.28 0.264 0.51708243902439 0.648285738891421 0.9532 0.9449 2141397 PK04_097297 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 O24 compound treatment -1.48 -1.13 -1.13 -1.218 -0.86 -0.8 -0.969 -0.71591756097561 -0.897572823935189 -1.6296 -0.9893 2065842 PK04_097298 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P01 compound treatment -1.114 -0.769 -0.76 -1.02 -0.662 -0.61 -0.864 -0.61091756097561 -0.765930367246792 -1.2377 -0.995 2141898 PK04_097299 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P02 compound treatment -0.944 -0.599 -0.6 -1.13 -0.772 -0.72 -0.832 -0.57891756097561 -0.725810761398899 -1.1757 -0.9962 2143305 PK04_097300 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P03 compound treatment -0.777 -0.432 -0.43 -0.988 -0.63 -0.58 -1.127 -0.87391756097561 -1.09566337780916 -1.2175 -0.9268 2141555 PK04_097301 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P04 compound treatment -1.108 -0.763 -0.76 -1.319 -0.961 -0.89 -0.676 -0.42291756097561 -0.530227682890423 -1.258 -0.9797 2144945 PK04_097302 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P05 compound treatment -1.208 -0.863 -0.86 -1.502 -1.14 -1.06 -0.719 -0.46591756097561 -0.584138403248529 -1.4443 -0.9738 2141923 PK04_097303 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P06 compound treatment -0.97 -0.625 -0.62 -1.257 -0.899 -0.83 -0.65 -0.39691756097561 -0.49763050313901 -1.1268 -0.9781 2144433 PK04_097304 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P07 compound treatment 0.211 0.556 0.55 0.227 0.585 0.54 0.333 0.58608243902439 0.734793639000939 1.0559 0.9896 2141482 PK04_097305 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P08 compound treatment -1.852 -1.51 -1.5 -1.112 -0.754 -0.7 -1.344 -1.09091756097561 -1.36772445496518 -2.0579 -0.9592 2143929 PK04_097306 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P09 compound treatment -1.826 -1.48 -1.47 -1.316 -0.958 -0.89 -1.321 -1.06791756097561 -1.33888848826201 -2.1354 -0.98 2141698 PK04_097307 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P10 compound treatment -0.803 -0.458 -0.46 -1.351 -0.993 -0.92 -1.216 -0.96291756097561 -1.20724603157361 -1.4909 -0.9409 2142653 PK04_097308 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P11 mock treatment -0.98 -0.635 -0.63 -0.734 -0.376 -0.35 -0.622 -0.36891756097561 -0.462525848022104 -0.8327 -0.972 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P12 mock treatment -2.121 -1.78 -1.77 -1.076 -0.718 -0.67 -1.111 -0.85791756097561 -1.07560357488521 -2.0244 -0.9321 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P13 compound treatment -0.49 -0.145 -0.14 -1.24 -0.882 -0.82 -0.728 -0.47491756097561 -0.595422042393248 -0.8987 -0.88 2141449 PK04_097309 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P14 compound treatment -0.898 -0.553 -0.55 -1.574 -1.22 -1.13 -1.322 -1.06891756097561 -1.34014222594475 -1.7414 -0.9491 2144933 PK04_097310 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P15 compound treatment -0.621 -0.276 -0.27 -1.251 -0.893 -0.83 -0.713 -0.45991756097561 -0.576615977152049 -0.9689 -0.9272 2141416 PK04_097311 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P16 compound treatment -1.426 -1.08 -1.07 -1.039 -0.681 -0.63 -0.892 -0.63891756097561 -0.801035022363698 -1.4472 -0.9769 2144445 PK04_097312 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P17 compound treatment -0.875 -0.53 -0.53 -0.77 -0.412 -0.38 -0.457 -0.20391756097561 -0.255659130368908 -0.6722 -0.9616 2141453 PK04_097313 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P18 compound treatment -1.301 -0.956 -0.95 -1.027 -0.669 -0.62 -0.824 -0.57091756097561 -0.715780859936926 -1.3198 -0.9838 2142745 PK04_097314 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P19 compound treatment -0.835 -0.49 -0.49 -1.057 -0.699 -0.65 -0.673 -0.41991756097561 -0.526466469842183 -0.9591 -0.9925 2141541 PK04_097315 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P20 compound treatment -1.139 -0.794 -0.79 -0.583 -0.225 -0.21 -0.855 -0.60191756097561 -0.754646728102072 -1.0119 -0.9102 2142193 PK04_097316 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P21 compound treatment -2.056 -1.71 -1.7 -1.324 -0.966 -0.89 -1.401 -1.14791756097561 -1.43918750288174 -2.3296 -0.9702 2141134 PK04_097317 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P22 compound treatment -0.737 -0.392 -0.39 -1.161 -0.803 -0.74 -1.101 -0.84791756097561 -1.06306619805775 -1.2682 -0.9361 2142729 PK04_097318 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P23 compound treatment -0.168 0.177 0.18 -0.601 -0.243 -0.23 -0.476 -0.22291756097561 -0.279480146341095 -0.1898 -0.4748 2141121 PK04_097319 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2097 P24 compound treatment 0.062 0.407 0.4 0.052 0.41 0.38 0.021 0.27408243902439 0.343627481983987 0.651 0.9978 2144273 PK04_097320 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A01 compound treatment -0.321 0.0241 0.02 -2.284 -1.93 -1.78 -1.3 -1.04691756097561 -1.31255999692433 -1.7738 -0.8009 2141696 PK04_098001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A02 compound treatment -0.705 -0.36 -0.36 -1.296 -0.938 -0.87 -0.545 -0.29191756097561 -0.365988046450613 -0.9196 -0.9118 2144133 PK04_098002 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A03 compound treatment -0.921 -0.576 -0.57 -2.169 -1.81 -1.68 -1.613 -1.35991756097561 -1.70497989162403 -2.2833 -0.9285 2141089 PK04_098003 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A04 compound treatment -0.716 -0.371 -0.37 -2.036 -1.68 -1.55 -2.184 -1.93091756097561 -2.42086410847236 -2.5079 -0.8647 2142093 PK04_098004 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A05 compound treatment 0.235 0.58 0.58 -0.74 -0.382 -0.35 -0.215 0.03808243902439 0.047745388855779 0.1561 0.2301 2141744 PK04_098005 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A06 compound treatment -0.614 -0.269 -0.27 -0.73 -0.372 -0.34 -0.685 -0.43191756097561 -0.541511322035143 -0.6661 -0.9578 2143237 PK04_098006 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A07 compound treatment -2.589 -2.24 -2.23 -1.55 -1.19 -1.1 -1.24 -0.98691756097561 -1.23733573595953 -2.6398 -0.9497 2141337 PK04_098007 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A08 compound treatment -0.995 -0.65 -0.65 -1.173 -0.815 -0.76 -0.831 -0.57791756097561 -0.724557023716153 -1.2273 -0.9979 2144129 PK04_098008 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A09 compound treatment -2.339 -1.99 -1.98 -2.002 -1.64 -1.52 -1.371 -1.11791756097561 -1.40157537239934 -2.8328 -0.9885 2141791 PK04_098009 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A10 compound treatment -1.283 -0.938 -0.93 -1.376 -1.02 -0.94 -0.691 -0.43791756097561 -0.549033748131623 -1.3998 -0.9752 2144193 PK04_098010 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A11 compound treatment -1.672 -1.33 -1.32 -1.788 -1.43 -1.32 -0.963 -0.70991756097561 -0.890050397838709 -2.0402 -0.9854 2141133 PK04_098011 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A12 compound treatment -1.144 -0.799 -0.79 -1.772 -1.41 -1.31 -0.841 -0.58791756097561 -0.737094400543619 -1.6403 -0.965 2143993 PK04_098012 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A13 mock treatment -0.625 -0.28 -0.28 -2.008 -1.65 -1.53 -1.295 -1.04191756097561 -1.30629130851059 -1.7972 -0.8855 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A14 mock treatment -1.055 -0.71 -0.71 -2.105 -1.75 -1.62 -1.235 -0.98191756097561 -1.2310670475458 -2.0524 -0.9537 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A15 compound treatment -0.533 -0.188 -0.19 -1.594 -1.24 -1.14 -1.745 -1.49191756097561 -1.87047326574658 -1.8488 -0.84 2141695 PK04_098013 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A16 compound treatment -0.286 0.0591 0.06 -1.534 -1.18 -1.09 -1.596 -1.34291756097561 -1.68366635101733 -1.5671 -0.7811 2144913 PK04_098014 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A17 compound treatment 0.233 0.578 0.57 -1.0 -0.642 -0.59 -0.473 -0.21991756097561 -0.275718933292855 -0.1708 -0.1959 2141801 PK04_098015 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A18 compound treatment -0.337 0.00807 0.01 -0.961 -0.603 -0.56 -0.64 -0.38691756097561 -0.485093126311544 -0.598 -0.8082 2142117 PK04_098016 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A19 compound treatment -1.401 -1.06 -1.05 -0.984 -0.626 -0.58 -0.747 -0.49391756097561 -0.619243058365435 -1.2985 -0.962 2141835 PK04_098017 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A20 compound treatment -0.982 -0.637 -0.63 -0.996 -0.638 -0.59 -0.663 -0.40991756097561 -0.513929093014717 -1.0036 -0.9964 2144205 PK04_098018 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A21 compound treatment -1.429 -1.08 -1.08 -2.229 -1.87 -1.73 -1.098 -0.84491756097561 -1.05930498500951 -2.2342 -0.9718 2141920 PK04_098019 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A22 compound treatment -0.701 -0.356 -0.35 -0.906 -0.548 -0.51 -0.96 -0.70691756097561 -0.886289184790469 -1.0092 -0.9335 2141945 PK04_098020 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A23 compound treatment -0.949 -0.604 -0.6 -1.648 -1.29 -1.19 -0.807 -0.55391756097561 -0.694467319330233 -1.4374 -0.954 2141111 PK04_098021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 A24 compound treatment -0.931 -0.586 -0.58 -2.11 -1.75 -1.62 -0.961 -0.70791756097561 -0.887542922473216 -1.7856 -0.9208 2143385 PK04_098022 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B01 compound treatment -0.277 0.0681 0.07 -1.08 -0.722 -0.67 -0.841 -0.58791756097561 -0.737094400543619 -0.7727 -0.7745 2142845 PK04_098023 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B02 compound treatment -0.556 -0.211 -0.21 -1.627 -1.27 -1.18 -0.919 -0.66591756097561 -0.834885939797857 -1.2817 -0.8798 2143009 PK04_098024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B03 compound treatment -0.488 -0.143 -0.14 -1.081 -0.723 -0.67 -0.514 -0.26091756097561 -0.327122178285467 -0.6576 -0.8666 2144209 PK04_098025 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B04 compound treatment -0.692 -0.347 -0.34 -1.382 -1.02 -0.95 -2.049 -1.79591756097561 -2.25160952130156 -2.0467 -0.8295 2142037 PK04_098026 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B05 compound treatment -0.448 -0.103 -0.1 -0.875 -0.517 -0.48 -1.35 -1.09691756097561 -1.37524688106166 -1.1297 -0.7738 2144313 PK04_098027 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B06 compound treatment -0.427 -0.0819 -0.08 -0.775 -0.417 -0.39 -1.022 -0.76891756097561 -0.964020921120761 -0.8267 -0.7936 2143245 PK04_098028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B07 compound treatment -0.728 -0.383 -0.38 -1.282 -0.924 -0.86 -0.594 -0.34091756097561 -0.427421192905198 -0.9607 -0.933 2144661 PK04_098029 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B08 compound treatment 0.073 0.418 0.42 -1.417 -1.06 -0.98 -0.962 -0.70891756097561 -0.888796660155963 -0.8395 -0.6051 2143409 PK04_098030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B09 compound treatment -1.542 -1.2 -1.19 -2.038 -1.68 -1.56 -1.416 -1.16291756097561 -1.45799356812294 -2.4271 -0.994 2144745 PK04_098031 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B10 compound treatment -1.443 -1.1 -1.09 -1.785 -1.43 -1.32 -0.776 -0.52291756097561 -0.655601451165087 -1.7718 -0.9654 2143049 PK04_098032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B11 compound treatment -1.068 -0.723 -0.72 -0.944 -0.586 -0.54 -0.542 -0.28891756097561 -0.362226833402373 -0.9376 -0.9657 2143257 PK04_098033 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B12 compound treatment -1.265 -0.92 -0.91 -1.286 -0.928 -0.86 -0.619 -0.36591756097561 -0.458764634973864 -1.2892 -0.9647 2141502 PK04_098034 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B13 mock treatment -1.196 -0.851 -0.85 -2.318 -1.96 -1.82 -1.679 -1.42591756097561 -1.78772657868531 -2.5686 -0.9568 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B14 mock treatment -1.251 -0.906 -0.9 -3.238 -2.88 -2.67 -1.294 -1.04091756097561 -1.30503757082785 -2.8133 -0.9067 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B15 compound treatment -0.361 -0.0159 -0.02 -0.649 -0.291 -0.27 -0.571 -0.31791756097561 -0.398585226202026 -0.395 -0.8203 2142113 PK04_098035 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B16 compound treatment -1.031 -0.686 -0.68 -1.591 -1.23 -1.14 -2.482 -2.22891756097561 -2.79447793793086 -2.6665 -0.8616 2141859 PK04_098036 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B17 compound treatment 0.067 0.412 0.41 -1.009 -0.651 -0.6 -0.849 -0.59591756097561 -0.747124302005592 -0.5431 -0.5202 2144033 PK04_098037 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B18 compound treatment -1.064 -0.719 -0.71 -1.796 -1.44 -1.33 -1.967 -1.71391756097561 -2.14880303131634 -2.4222 -0.922 2141540 PK04_098038 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B19 compound treatment -0.263 0.0821 0.08 -1.166 -0.808 -0.75 -0.76 -0.50691756097561 -0.635541648241141 -0.752 -0.7632 2144437 PK04_098039 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B20 compound treatment -1.786 -1.44 -1.43 -1.273 -0.915 -0.85 -0.784 -0.53091756097561 -0.665631352627061 -1.7007 -0.9487 2144725 PK04_098040 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B21 compound treatment -0.655 -0.31 -0.31 -0.789 -0.431 -0.4 -0.506 -0.25291756097561 -0.317092276823494 -0.5916 -0.9928 2143413 PK04_098041 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B22 compound treatment -1.873 -1.53 -1.52 -1.956 -1.6 -1.48 -0.892 -0.63891756097561 -0.801035022363698 -2.194 -0.9678 2141509 PK04_098042 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B23 compound treatment -2.272 -1.93 -1.92 -1.92 -1.56 -1.45 -1.17 -0.91691756097561 -1.14957409816726 -2.605 -0.9787 2142009 PK04_098043 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 B24 compound treatment -1.904 -1.56 -1.55 -2.296 -1.94 -1.79 -1.028 -0.77491756097561 -0.971543347217241 -2.492 -0.9724 2141342 PK04_098044 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C01 compound treatment -1.571 -1.23 -1.22 -1.142 -0.784 -0.73 -1.13 -0.87691756097561 -1.0994245908574 -1.7577 -0.9793 2141145 PK04_098045 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C02 compound treatment -0.341 0.00407 0.0 -0.893 -0.535 -0.5 -0.322 -0.06891756097561 -0.0864045431981117 -0.3338 -0.6633 2143097 PK04_098046 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C03 compound treatment 0.213 0.558 0.55 -0.208 0.15 0.14 -0.223 0.03008243902439 0.0377154873938059 0.4221 0.7365 2141834 PK04_098047 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C04 compound treatment -0.934 -0.589 -0.59 -1.343 -0.985 -0.91 -0.539 -0.28591756097561 -0.358465620354133 -1.0718 -0.9386 2142605 PK04_098048 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C05 compound treatment -0.127 0.218 0.22 -0.619 -0.261 -0.24 -0.485 -0.23191756097561 -0.290763785485814 -0.1824 -0.4184 2141398 PK04_098049 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C06 compound treatment -0.874 -0.529 -0.53 -1.343 -0.985 -0.91 -1.449 -1.19591756097561 -1.49936691165358 -1.696 -0.9257 2143013 PK04_098050 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C07 compound treatment -1.984 -1.64 -1.63 -1.661 -1.3 -1.21 -2.665 -2.41191756097561 -3.02391193387349 -3.3834 -0.9293 2141793 PK04_098051 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C08 compound treatment -1.25 -0.905 -0.9 -1.531 -1.17 -1.09 -0.778 -0.52491756097561 -0.658108926530581 -1.5267 -0.9808 2143277 PK04_098052 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C09 compound treatment -0.941 -0.596 -0.59 -0.982 -0.624 -0.58 -0.758 -0.50491756097561 -0.633034172875648 -1.0413 -0.9993 2141681 PK04_098053 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C10 compound treatment -1.22 -0.875 -0.87 -0.749 -0.391 -0.36 -0.752 -0.49891756097561 -0.625511746779168 -1.0726 -0.9483 2144125 PK04_098054 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C11 mock treatment -2.504 -2.16 -2.15 -1.596 -1.24 -1.15 -1.393 -1.13991756097561 -1.42915760141977 -2.7264 -0.9661 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C12 mock treatment -1.867 -1.52 -1.51 -1.775 -1.42 -1.31 -1.363 -1.10991756097561 -1.39154547093737 -2.4347 -0.9983 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C13 compound treatment -0.516 -0.171 -0.17 -0.718 -0.36 -0.33 -0.699 -0.44591756097561 -0.559063649593596 -0.6136 -0.9118 2141376 PK04_098055 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C14 compound treatment -0.32 0.0251 0.02 -1.313 -0.955 -0.88 -0.004 0.24908243902439 0.312284039915321 -0.3161 -0.3368 2143897 PK04_098056 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C15 mock treatment -1.86 -1.51 -1.51 -2.496 -2.14 -1.98 -1.683 -1.42991756097561 -1.79274152941629 -3.0478 -0.9939 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C16 mock treatment -1.567 -1.22 -1.21 -2.003 -1.65 -1.52 -1.931 -1.67791756097561 -2.10366847473746 -2.7955 -0.9749 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C17 compound treatment -0.629 -0.284 -0.28 -1.286 -0.928 -0.86 -0.953 -0.69991756097561 -0.877513021011243 -1.1659 -0.925 2141461 PK04_098057 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C18 compound treatment -0.691 -0.346 -0.34 -1.0 -0.642 -0.59 -0.798 -0.54491756097561 -0.683183680185513 -0.9364 -0.9664 2143145 PK04_098058 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C19 compound treatment -1.499 -1.15 -1.15 -1.289 -0.931 -0.86 -1.832 -1.57891756097561 -1.97954844414554 -2.3031 -0.9419 2141551 PK04_098059 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C20 compound treatment -1.13 -0.785 -0.78 -1.153 -0.795 -0.74 -0.927 -0.67391756097561 -0.84491584125983 -1.3636 -0.9984 2144941 PK04_098060 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C21 compound treatment -0.757 -0.412 -0.41 -0.746 -0.388 -0.36 -0.803 -0.54991756097561 -0.689452368599247 -0.8421 -0.9582 2141535 PK04_098061 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C22 compound treatment -0.972 -0.627 -0.62 -0.649 -0.291 -0.27 -0.445 -0.19191756097561 -0.240614278175949 -0.6545 -0.9084 2142185 PK04_098062 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C23 compound treatment -2.277 -1.93 -1.92 -1.359 -1.0 -0.93 -1.481 -1.22791756097561 -1.53948651750147 -2.5331 -0.963 2141425 PK04_098063 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 C24 compound treatment -1.003 -0.658 -0.65 -1.055 -0.697 -0.65 -0.848 -0.59491756097561 -0.745870564322845 -1.1811 -0.9978 2144353 PK04_098064 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D01 compound treatment -1.328 -0.983 -0.98 -1.686 -1.33 -1.23 -1.033 -0.77991756097561 -0.977812035630974 -1.8389 -0.9938 2143317 PK04_098065 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D02 compound treatment -0.422 -0.0769 -0.08 -1.277 -0.919 -0.85 -1.184 -0.93091756097561 -1.16712642572572 -1.2095 -0.8361 2144805 PK04_098066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D03 compound treatment -0.819 -0.474 -0.47 -0.64 -0.282 -0.26 -0.746 -0.49291756097561 -0.617989320682688 -0.7798 -0.951 2142937 PK04_098067 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D04 compound treatment -1.88 -1.53 -1.53 -1.263 -0.905 -0.84 -1.518 -1.26491756097561 -1.5858748117631 -2.2806 -0.9684 2141997 PK04_098068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D05 compound treatment -1.49 -1.14 -1.14 -1.439 -1.08 -1.0 -0.414 -0.16091756097561 -0.201748410010803 -1.3518 -0.8839 2144781 PK04_098069 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D06 compound treatment -1.381 -1.04 -1.03 -1.142 -0.784 -0.73 -0.892 -0.63891756097561 -0.801035022363698 -1.4764 -0.9887 2144025 PK04_098070 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D07 compound treatment -1.247 -0.902 -0.9 -1.074 -0.716 -0.66 -0.55 -0.29691756097561 -0.372256734864346 -1.1156 -0.9488 2144817 PK04_098071 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D08 compound treatment -1.322 -0.977 -0.97 -0.679 -0.321 -0.3 -1.025 -0.77191756097561 -0.967782134169001 -1.2913 -0.9204 2144197 PK04_098072 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D09 compound treatment -1.221 -0.876 -0.87 -0.7 -0.342 -0.32 -0.467 -0.21391756097561 -0.268196507196375 -0.8407 -0.8714 2144761 PK04_098073 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D10 compound treatment -2.171 -1.83 -1.82 -0.928 -0.57 -0.53 -1.117 -0.86391756097561 -1.08312600098169 -1.9783 -0.908 2142125 PK04_098074 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D11 mock treatment -2.565 -2.22 -2.21 -1.002 -0.644 -0.6 -1.049 -0.79591756097561 -0.997871838554921 -2.1948 -0.8799 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D12 mock treatment -2.578 -2.23 -2.22 -1.665 -1.31 -1.21 -1.56 -1.30691756097561 -1.63853179443846 -2.9266 -0.9713 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D13 compound treatment -1.062 -0.717 -0.71 -1.452 -1.09 -1.01 -0.745 -0.49191756097561 -0.616735582999941 -1.3526 -0.9774 2143225 PK04_098075 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D14 compound treatment -0.682 -0.337 -0.33 -1.531 -1.17 -1.09 -1.277 -1.02391756097561 -1.28372403022116 -1.5618 -0.9108 2144233 PK04_098076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D15 mock treatment -2.71 -2.36 -2.35 -1.898 -1.54 -1.43 -2.01 -1.75691756097561 -2.20271375167444 -3.4527 -0.9799 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D16 mock treatment -2.429 -2.08 -2.07 -1.471 -1.11 -1.03 -1.574 -1.32091756097561 -1.65608412199691 -2.7475 -0.9655 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D17 compound treatment -1.331 -0.986 -0.98 -1.552 -1.19 -1.11 -0.229 0.02408243902439 0.030193061297326 -1.187 -0.8031 2143045 PK04_098077 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D18 compound treatment -2.047 -1.7 -1.69 -1.328 -0.97 -0.9 -1.429 -1.17591756097561 -1.47429215799864 -2.3468 -0.9708 2142013 PK04_098078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D19 compound treatment -0.65 -0.305 -0.3 -0.467 -0.109 -0.1 -0.499 -0.24591756097561 -0.308316113044267 -0.4115 -0.9266 2142213 PK04_098079 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D20 compound treatment -1.623 -1.28 -1.27 -0.789 -0.431 -0.4 -1.36 -1.10691756097561 -1.38778425788913 -1.7654 -0.9178 2141447 PK04_098080 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D21 compound treatment -0.991 -0.646 -0.64 -0.29 0.0676 0.06 -0.255 -0.00191756097561002 -0.0024041184540867 -0.336 -0.5208 2143393 PK04_098081 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D22 compound treatment -3.496 -3.15 -3.13 -1.83 -1.47 -1.36 -1.797 -1.54391756097561 -1.93566762524941 -3.7133 -0.9457 2065844 PK04_098082 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D23 compound treatment -1.169 -0.824 -0.82 -0.865 -0.507 -0.47 -0.593 -0.33991756097561 -0.426167455222452 -0.9902 -0.9558 2144185 PK04_098083 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 D24 compound treatment -1.669 -1.32 -1.32 -1.363 -1.01 -0.93 -1.271 -1.01791756097561 -1.27620160412468 -2.0342 -0.9893 2141197 PK04_098084 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E01 mock treatment -1.125 -0.78 -0.78 -2.511 -2.15 -1.99 -1.82 -1.56691756097561 -1.96450359195258 -2.7331 -0.941 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E02 mock treatment -1.165 -0.82 -0.82 -3.541 -3.18 -2.95 -1.818 -1.56491756097561 -1.96199611658709 -3.3052 -0.9096 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E03 compound treatment 0.005 0.35 0.35 -1.296 -0.938 -0.87 -0.777 -0.52391756097561 -0.656855188847834 -0.68 -0.5946 2141526 PK04_098085 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E04 compound treatment -0.3 0.0451 0.04 -0.993 -0.635 -0.59 -1.78 -1.52691756097561 -1.91435408464272 -1.4191 -0.7084 2142637 PK04_098086 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E05 compound treatment -0.055 0.29 0.29 -0.856 -0.498 -0.46 -0.428 -0.17491756097561 -0.219300737569256 -0.2266 -0.3862 2141181 PK04_098087 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E06 compound treatment -0.555 -0.21 -0.21 -0.852 -0.494 -0.46 -0.462 -0.20891756097561 -0.261927818782642 -0.536 -0.945 2142777 PK04_098088 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E07 compound treatment -3.186 -2.84 -2.82 -1.755 -1.4 -1.29 -1.575 -1.32191756097561 -1.65733785967965 -3.3345 -0.947 2141090 PK04_098089 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E08 compound treatment 2.593 2.94 1.67 3.313 3.67 1.63 1.379 1.63208243902439 1.73305179830611 2.9092 0.9997 2144801 PK04_098090 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E09 mock treatment -2.633 -2.29 -2.27 -2.17 -1.81 -1.68 -1.328 -1.07491756097561 -1.34766465204123 -3.0602 -0.9772 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E10 mock treatment -1.463 -1.12 -1.11 -2.083 -1.73 -1.6 -1.518 -1.26491756097561 -1.5858748117631 -2.4797 -0.9877 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E11 compound treatment -0.425 -0.0799 -0.08 -0.41 -0.0524 -0.05 -0.184 0.06908243902439 0.0866112570209249 -0.0239 -0.1878 2141328 PK04_098091 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E12 compound treatment -0.792 -0.447 -0.44 -1.587 -1.23 -1.14 -0.746 -0.49291756097561 -0.617989320682688 -1.2706 -0.9278 2144117 PK04_098092 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E13 compound treatment -0.507 -0.162 -0.16 -1.997 -1.64 -1.52 -1.071 -0.81791756097561 -1.02545406757535 -1.5614 -0.8491 2141750 PK04_098093 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E14 compound treatment -0.465 -0.12 -0.12 -1.698 -1.34 -1.24 -0.889 -0.63591756097561 -0.797273809315458 -1.2457 -0.8417 2142133 PK04_098094 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E15 compound treatment -0.958 -0.613 -0.61 -2.033 -1.68 -1.55 -1.202 -0.94891756097561 -1.18969370401516 -1.9343 -0.9446 2141837 PK04_098095 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E16 compound treatment -0.467 -0.122 -0.12 -0.737 -0.379 -0.35 -1.301 -1.04791756097561 -1.31381373460707 -1.0313 -0.7554 2143333 PK04_098096 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E17 mock treatment -0.236 0.109 0.11 -1.49 -1.13 -1.05 -2.393 -2.13991756097561 -2.68289528416641 -2.0917 -0.7257 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E18 mock treatment -1.322 -0.977 -0.97 -1.227 -0.869 -0.81 -1.25 -0.99691756097561 -1.249873112787 -1.7471 -0.9838 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E19 compound treatment -0.889 -0.544 -0.54 -0.743 -0.385 -0.36 -0.538 -0.28491756097561 -0.357211882671386 -0.7245 -0.9792 2141392 PK04_098097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E20 compound treatment -0.292 0.0531 0.05 -0.357 6.1E-4 0.0 -0.212 0.04108243902439 0.0515066019040189 0.0605 0.8208 2144457 PK04_098098 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E21 compound treatment -1.391 -1.05 -1.04 -1.982 -1.62 -1.5 -1.21 -0.95691756097561 -1.19972360547713 -2.1614 -0.9883 2141783 PK04_098099 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E22 compound treatment -0.839 -0.494 -0.49 -1.319 -0.961 -0.89 -0.912 -0.65891756097561 -0.826109776018631 -1.2744 -0.9729 2142073 PK04_098100 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E23 compound treatment -1.023 -0.678 -0.67 -1.682 -1.32 -1.23 -0.514 -0.26091756097561 -0.327122178285467 -1.286 -0.8949 2141929 PK04_098101 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 E24 compound treatment -1.134 -0.789 -0.78 -2.264 -1.91 -1.77 -1.011 -0.75791756097561 -0.950229806610548 -2.0206 -0.9386 2141993 PK04_098102 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F01 mock treatment -1.034 -0.689 -0.68 -2.37 -2.01 -1.86 -1.511 -1.25791756097561 -1.57709864798387 -2.3818 -0.9394 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F02 mock treatment -1.577 -1.23 -1.22 -2.583 -2.23 -2.06 -1.141 -0.88791756097561 -1.11321570536761 -2.5395 -0.9609 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F03 compound treatment -0.38 -0.0349 -0.03 -1.574 -1.22 -1.13 -1.07 -0.81691756097561 -1.0242003298926 -1.2617 -0.8285 2142917 PK04_098103 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F04 compound treatment -0.787 -0.442 -0.44 -1.559 -1.2 -1.11 -2.033 -1.77991756097561 -2.23154971837762 -2.1843 -0.8627 2142953 PK04_098104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F05 compound treatment -0.243 0.102 0.1 -1.046 -0.688 -0.64 -1.445 -1.19191756097561 -1.49435196092259 -1.1722 -0.7201 2144897 PK04_098105 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F06 compound treatment -0.21 0.135 0.13 -0.538 -0.18 -0.17 -0.705 -0.45191756097561 -0.566586075690076 -0.346 -0.5712 2144329 PK04_098106 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F07 compound treatment -0.463 -0.118 -0.12 -0.491 -0.133 -0.12 -0.669 -0.41591756097561 -0.521451519111197 -0.4401 -0.8022 2144721 PK04_098107 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F08 compound treatment 0.082 0.427 0.42 -0.396 -0.0384 -0.04 -0.348 -0.09491756097561 -0.119001722949524 0.1559 0.3524 2143969 PK04_098108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F09 mock treatment -1.685 -1.34 -1.33 -2.5 -2.14 -1.98 -1.522 -1.26891756097561 -1.59088976249408 -2.8329 -0.9869 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F10 mock treatment -2.529 -2.18 -2.17 -2.934 -2.58 -2.39 -1.199 -0.94591756097561 -1.18593249096692 -3.3156 -0.9647 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F11 compound treatment -1.268 -0.923 -0.92 -1.043 -0.685 -0.63 -0.645 -0.39191756097561 -0.491361814725277 -1.1798 -0.9678 2141973 PK04_098109 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F12 compound treatment -1.353 -1.01 -1.0 -0.44 -0.0824 -0.08 -0.538 -0.28491756097561 -0.357211882671386 -0.8288 -0.7771 2141515 PK04_098110 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F13 compound treatment 0.086 0.431 0.43 -0.845 -0.487 -0.45 0.375 0.62808243902439 0.787450621676298 0.4415 0.4399 2144053 PK04_098111 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F14 compound treatment -0.782 -0.437 -0.43 -1.864 -1.51 -1.39 -0.941 -0.68791756097561 -0.862468168818283 -1.554 -0.916 2143249 PK04_098112 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F15 compound treatment -0.674 -0.329 -0.33 -1.426 -1.07 -0.99 -0.982 -0.72891756097561 -0.913871413810896 -1.2876 -0.929 2144873 PK04_098113 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F16 compound treatment -0.722 -0.377 -0.37 -2.556 -2.2 -2.04 -2.099 -1.84591756097561 -2.3142964054389 -2.7278 -0.8786 2141199 PK04_098114 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F17 mock treatment -0.587 -0.242 -0.24 -1.193 -0.835 -0.77 -0.214 0.03908243902439 0.0489991265385256 -0.5572 -0.6866 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F18 mock treatment -0.986 -0.641 -0.64 -1.485 -1.13 -1.04 -2.267 -2.01391756097561 -2.52492433614033 -2.4283 -0.8656 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F19 compound treatment -0.452 -0.107 -0.11 -0.662 -0.304 -0.28 -0.807 -0.55391756097561 -0.694467319330233 -0.6251 -0.8257 2142825 PK04_098115 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F20 compound treatment -0.802 -0.457 -0.45 -0.743 -0.385 -0.36 -0.948 -0.69491756097561 -0.87124433259751 -0.9713 -0.9292 2144217 PK04_098116 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F21 compound treatment -0.034 0.311 0.31 -0.798 -0.44 -0.41 -0.164 0.08908243902439 0.111686010675858 0.0076 0.0145 2144057 PK04_098117 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F22 compound treatment -2.688 -2.34 -2.33 -2.476 -2.12 -1.96 -0.99 -0.73691756097561 -0.923901315272869 -3.0107 -0.9461 2141689 PK04_098118 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F23 compound treatment -1.165 -0.82 -0.82 -0.903 -0.545 -0.51 -0.718 -0.46491756097561 -0.582884665565782 -1.0987 -0.9791 2144037 PK04_098119 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 F24 compound treatment -1.106 -0.761 -0.76 -0.202 0.156 0.14 -0.575 -0.32191756097561 -0.403600176933012 -0.5866 -0.6747 2141464 PK04_098120 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G01 compound treatment -0.602 -0.257 -0.26 -0.625 -0.267 -0.25 -0.741 -0.48791756097561 -0.611720632268955 -0.6436 -0.9095 2141573 PK04_098121 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G02 compound treatment -0.357 -0.0119 -0.01 -1.34 -0.982 -0.91 -0.366 -0.11291756097561 -0.141569001238964 -0.6138 -0.6667 2144113 PK04_098122 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G03 mock treatment -2.234 -1.89 -1.88 -3.068 -2.71 -2.51 -1.249 -0.99591756097561 -1.24861937510425 -3.2541 -0.9644 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G04 mock treatment -1.88 -1.53 -1.53 -2.791 -2.43 -2.25 -1.929 -1.67591756097561 -2.10116099937197 -3.395 -0.9875 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G05 compound treatment -0.352 -0.00693 -0.01 -0.638 -0.28 -0.26 -0.536 -0.28291756097561 -0.354704407305893 -0.3587 -0.8158 2141531 PK04_098123 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G06 compound treatment -0.988 -0.643 -0.64 -1.772 -1.41 -1.31 -1.177 -0.92391756097561 -1.15835026194649 -1.7939 -0.9637 2143985 PK04_098124 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G07 compound treatment -0.599 -0.254 -0.25 -0.634 -0.276 -0.26 -0.805 -0.55191756097561 -0.69195984396474 -0.693 -0.8887 2065843 PK04_098125 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G08 compound treatment -0.898 -0.553 -0.55 -1.109 -0.751 -0.7 -0.713 -0.45991756097561 -0.576615977152049 -1.052 -0.9946 2144713 PK04_098126 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G09 compound treatment -1.417 -1.07 -1.07 -1.086 -0.728 -0.67 -0.607 -0.35391756097561 -0.443719782780905 -1.2608 -0.9431 2141779 PK04_098127 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G10 compound treatment -1.874 -1.53 -1.52 -1.367 -1.01 -0.93 -0.946 -0.69291756097561 -0.868736857232016 -1.9188 -0.9668 2142633 PK04_098128 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G11 compound treatment -1.497 -1.15 -1.15 -1.009 -0.651 -0.6 -1.018 -0.76491756097561 -0.959005970389775 -1.5631 -0.9703 2141711 PK04_098129 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G12 compound treatment -0.929 -0.584 -0.58 -0.975 -0.617 -0.57 -0.626 -0.37291756097561 -0.467540798753091 -0.9352 -0.9955 2142689 PK04_098130 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G13 compound treatment -1.388 -1.04 -1.04 -0.621 -0.263 -0.24 -1.252 -0.99891756097561 -1.25238058815249 -1.4625 -0.8896 2141802 PK04_098131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G14 compound treatment -0.846 -0.501 -0.5 -1.658 -1.3 -1.2 -1.098 -0.84491756097561 -1.05930498500951 -1.5943 -0.9494 2142905 PK04_098132 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G15 compound treatment -0.414 -0.0689 -0.07 -1.138 -0.78 -0.72 -0.514 -0.26091756097561 -0.327122178285467 -0.6456 -0.8109 2141192 PK04_098133 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G16 compound treatment -0.813 -0.468 -0.47 -1.64 -1.28 -1.19 -1.345 -1.09191756097561 -1.36897819264793 -1.7445 -0.9324 2142129 PK04_098134 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G17 compound treatment -0.423 -0.0779 -0.08 -0.588 -0.23 -0.21 -0.369 -0.11591756097561 -0.145330214287204 -0.2518 -0.9343 2141728 PK04_098135 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G18 compound treatment 1.705 2.05 1.53 1.426 1.78 1.37 1.0 1.25308243902439 1.57103667339295 2.5814 0.9984 2144641 PK04_098136 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G19 mock treatment -1.886 -1.54 -1.53 -1.434 -1.08 -1.0 -2.329 -2.07591756097561 -2.60265607247062 -2.9625 -0.9315 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G20 mock treatment -0.854 -0.509 -0.51 -1.414 -1.06 -0.98 -1.067 -0.81391756097561 -1.02043911684436 -1.446 -0.9631 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G21 compound treatment -0.871 -0.526 -0.52 -0.712 -0.354 -0.33 -0.622 -0.36891756097561 -0.462525848022104 -0.7584 -0.9832 2141885 PK04_098137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G22 compound treatment -1.9 -1.55 -1.55 -1.255 -0.897 -0.83 -0.843 -0.58991756097561 -0.739601875909112 -1.7993 -0.9447 2144357 PK04_098138 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G23 compound treatment -1.455 -1.11 -1.1 -0.506 -0.148 -0.14 -0.781 -0.52791756097561 -0.661870139578821 -1.0985 -0.8489 2141361 PK04_098139 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 G24 compound treatment -1.252 -0.907 -0.9 -1.185 -0.827 -0.77 -0.862 -0.60891756097561 -0.763422891881299 -1.4036 -0.9968 2142625 PK04_098140 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H01 compound treatment -0.507 -0.162 -0.16 -1.007 -0.649 -0.6 0.88 1.13308243902439 1.42058815146335 0.3801 0.2451 2142737 PK04_098141 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H02 compound treatment -0.403 -0.0579 -0.06 -0.902 -0.544 -0.5 -0.726 -0.47291756097561 -0.592914567027755 -0.6666 -0.8542 2144017 PK04_098142 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H03 mock treatment -2.147 -1.8 -1.79 -1.916 -1.56 -1.44 -1.936 -1.68291756097561 -2.10993716315119 -3.0856 -0.9885 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H04 mock treatment -2.331 -1.99 -1.97 -1.422 -1.06 -0.99 -1.251 -0.99791756097561 -1.25112685046974 -2.4312 -0.9584 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H05 compound treatment -0.305 0.0401 0.04 -0.434 -0.0764 -0.07 -0.088 0.16508243902439 0.206970074564603 0.1017 0.4572 2143493 PK04_098143 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H06 compound treatment -2.423 -2.08 -2.07 -1.663 -1.31 -1.21 -1.568 -1.31491756097561 -1.64856169590043 -2.8424 -0.978 2141857 PK04_098144 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H07 compound treatment -0.68 -0.335 -0.33 -0.708 -0.35 -0.32 -0.61 -0.35691756097561 -0.447480995829145 -0.6379 -0.9886 2143497 PK04_098145 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H08 compound treatment -1.264 -0.919 -0.91 -0.997 -0.639 -0.59 -0.97 -0.71691756097561 -0.898826561617936 -1.3882 -0.9833 2141183 PK04_098146 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H09 compound treatment -1.634 -1.29 -1.28 -1.497 -1.14 -1.06 -1.297 -1.04391756097561 -1.30879878387609 -2.1046 -0.9956 2143289 PK04_098147 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H10 compound treatment -2.107 -1.76 -1.75 -0.665 -0.307 -0.28 -0.144 0.10908243902439 0.136760764330791 -1.0967 -0.6162 2142033 PK04_098148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H11 compound treatment -1.528 -1.18 -1.18 -0.459 -0.101 -0.09 -0.84 -0.58691756097561 -0.735840662860872 -1.158 -0.8328 2143345 PK04_098149 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H12 compound treatment -1.827 -1.48 -1.47 -1.1 -0.742 -0.69 -1.056 -0.80291756097561 -1.00664800233415 -1.8287 -0.9563 2141965 PK04_098150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H13 compound treatment -0.724 -0.379 -0.38 -0.299 0.0586 0.05 -0.674 -0.42091756097561 -0.52772020752493 -0.4908 -0.7544 2142053 PK04_098151 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H14 compound treatment -0.907 -0.562 -0.56 1.0 1.36 1.26 -1.99 -1.73691756097561 -2.17763899801951 -0.854 -0.3316 2143285 PK04_098152 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H15 compound treatment -0.572 -0.227 -0.23 -0.182 0.176 0.16 -0.073 0.18008243902439 0.225776139805802 0.094 0.2623 2143953 PK04_098153 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H16 compound treatment -0.923 -0.578 -0.57 -0.754 -0.396 -0.37 -0.742 -0.48891756097561 -0.612974369951702 -0.8975 -0.979 2142849 PK04_098154 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H17 compound treatment -0.938 -0.593 -0.59 -0.491 -0.133 -0.12 -0.237 0.01608243902439 0.0201631598353529 -0.4 -0.6638 2142197 PK04_098155 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H18 compound treatment -1.603 -1.26 -1.25 -1.078 -0.72 -0.67 -0.972 -0.71891756097561 -0.901334036983429 -1.6275 -0.969 2141678 PK04_098156 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H19 mock treatment -1.515 -1.17 -1.16 -1.123 -0.765 -0.71 -1.645 -1.39191756097561 -1.74509949747192 -2.0882 -0.9433 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H20 mock treatment -2.336 -1.99 -1.98 -1.293 -0.935 -0.87 -1.459 -1.20591756097561 -1.51190428848104 -2.5157 -0.954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H21 compound treatment -0.841 -0.496 -0.49 -0.918 -0.56 -0.52 -0.634 -0.38091756097561 -0.477570700215064 -0.86 -0.9994 2142657 PK04_098157 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H22 compound treatment -1.893 -1.55 -1.54 -0.932 -0.574 -0.53 -0.301 -0.04791756097561 -0.0600760518604322 -1.2302 -0.7551 2141194 PK04_098158 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H23 compound treatment -1.118 -0.773 -0.77 -0.606 -0.248 -0.23 -0.679 -0.42591756097561 -0.533988895938663 -0.8847 -0.9182 2142665 PK04_098159 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 H24 compound treatment -2.178 -1.83 -1.82 -2.155 -1.8 -1.66 -1.847 -1.59391756097561 -1.99835450938674 -3.1667 -0.9972 2141813 PK04_098160 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I01 compound treatment -0.342 0.00307 0.0 -1.836 -1.48 -1.37 -1.102 -0.84891756097561 -1.06431993574049 -1.4031 -0.8092 2141395 PK04_098161 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I02 compound treatment -0.913 -0.568 -0.56 -2.71 -2.35 -2.18 -1.286 -1.03291756097561 -1.29500766936588 -2.3312 -0.8979 2144813 PK04_098162 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I03 compound treatment -1.099 -0.754 -0.75 -2.134 -1.78 -1.64 -1.081 -0.82791756097561 -1.03799144440281 -1.9817 -0.9507 2141107 PK04_098163 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I04 compound treatment -0.262 0.0831 0.08 -1.078 -0.72 -0.67 -1.341 -1.08791756097561 -1.36396324191694 -1.1249 -0.7398 2142597 PK04_098164 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I05 mock treatment -0.232 0.113 0.11 -2.078 -1.72 -1.59 -3.107 -2.85391756097561 -3.57806398964751 -2.9206 -0.7454 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I06 mock treatment -1.066 -0.721 -0.72 -1.314 -0.956 -0.89 -1.257 -1.00391756097561 -1.25864927656622 -1.6518 -0.973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I07 compound treatment -1.401 -1.06 -1.05 -1.46 -1.1 -1.02 -1.217 -0.96391756097561 -1.20849976925636 -1.8931 -0.9972 2141144 PK04_098165 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I08 compound treatment -0.838 -0.493 -0.49 -0.823 -0.465 -0.43 -0.756 -0.50291756097561 -0.630526697510154 -0.8958 -0.9872 2142693 PK04_098166 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I09 compound treatment -1.215 -0.87 -0.86 -2.617 -2.26 -2.09 -1.011 -0.75791756097561 -0.950229806610548 -2.2558 -0.9188 2141896 PK04_098167 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I10 compound treatment -1.01 -0.665 -0.66 -1.701 -1.34 -1.24 -1.154 -0.90091756097561 -1.12951429524332 -1.752 -0.9703 2141957 PK04_098168 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I11 compound treatment -0.208 0.137 0.14 0.808 1.17 1.08 0.498 0.75108243902439 0.941660356654135 1.2455 0.8656 2141394 PK04_098169 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I12 compound treatment -0.934 -0.589 -0.59 -1.159 -0.801 -0.74 -0.996 -0.74291756097561 -0.931423741369349 -1.3042 -0.9828 2142049 PK04_098170 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I13 compound treatment -0.616 -0.271 -0.27 -2.329 -1.97 -1.83 -1.804 -1.55091756097561 -1.94444378902864 -2.332 -0.87 2141346 PK04_098171 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I14 compound treatment -0.801 -0.456 -0.45 -2.187 -1.83 -1.69 -1.036 -0.78291756097561 -0.981573248679214 -1.8064 -0.8989 2143477 PK04_098172 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I15 compound treatment -1.161 -0.816 -0.81 -2.318 -1.96 -1.82 -1.479 -1.22591756097561 -1.53697904213598 -2.4037 -0.9565 2141373 PK04_098173 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I16 compound treatment -0.069 0.276 0.27 -1.35 -0.992 -0.92 -2.003 -1.74991756097561 -2.19393758789522 -1.6387 -0.6844 2144645 PK04_098174 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I17 compound treatment -0.191 0.154 0.15 -2.086 -1.73 -1.6 -2.918 -2.66491756097561 -3.3411075676084 -2.7645 -0.7456 2141116 PK04_098175 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I18 compound treatment -0.461 -0.116 -0.12 -0.657 -0.299 -0.28 -0.459 -0.20591756097561 -0.258166605734402 -0.3756 -0.9487 2142097 PK04_098176 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I19 compound treatment -0.932 -0.587 -0.58 -1.198 -0.84 -0.78 -0.869 -0.61591756097561 -0.772199055660525 -1.232 -0.992 2141442 PK04_098177 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I20 compound treatment -1.564 -1.22 -1.21 -1.845 -1.49 -1.38 -1.108 -0.85491756097561 -1.07184236183697 -2.1136 -0.9948 2142005 PK04_098178 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I21 mock treatment -1.629 -1.28 -1.28 -3.226 -2.87 -2.66 -1.201 -0.94791756097561 -1.18843996633241 -2.9565 -0.9305 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I22 mock treatment -1.826 -1.48 -1.47 -2.486 -2.13 -1.97 -1.493 -1.23991756097561 -1.55453136969443 -2.8854 -0.9915 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I23 compound treatment -0.918 -0.573 -0.57 -0.987 -0.629 -0.58 -0.331 -0.07791756097561 -0.0976881823428315 -0.7217 -0.8794 2141137 PK04_098179 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 I24 compound treatment -1.065 -0.72 -0.72 -1.092 -0.734 -0.68 -1.03 -0.77691756097561 -0.974050822582734 -1.3682 -0.9865 2144905 PK04_098180 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J01 compound treatment -0.06 0.285 0.28 -0.953 -0.595 -0.55 0.738 0.99108243902439 1.24255740051333 0.5627 0.4052 2142853 PK04_098181 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J02 compound treatment -0.595 -0.25 -0.25 -2.442 -2.08 -1.93 -1.083 -0.82991756097561 -1.04049891976831 -1.8585 -0.8422 2141434 PK04_098182 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J03 compound treatment -0.679 -0.334 -0.33 -1.661 -1.3 -1.21 -1.019 -0.76591756097561 -0.960259708072521 -1.4429 -0.9146 2142925 PK04_098183 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J04 compound treatment -0.933 -0.588 -0.58 -2.652 -2.29 -2.12 -2.223 -1.96991756097561 -2.46975987809948 -2.99 -0.9034 2141810 PK04_098184 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J05 mock treatment -0.626 -0.281 -0.28 -1.481 -1.12 -1.04 -0.015 0.23808243902439 0.298492925405107 -0.5895 -0.5274 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J06 mock treatment -1.035 -0.69 -0.69 -1.924 -1.57 -1.45 -2.101 -1.84791756097561 -2.31680388080439 -2.571 -0.9123 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J07 compound treatment -0.487 -0.142 -0.14 -0.953 -0.595 -0.55 -0.677 -0.42391756097561 -0.53148142057317 -0.7066 -0.9075 2143253 PK04_098185 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J08 compound treatment 0.357 0.702 0.7 -0.166 0.192 0.18 -0.329 -0.07591756097561 -0.0951807069773382 0.4505 0.6201 2141219 PK04_098186 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J09 compound treatment -0.791 -0.446 -0.44 -1.643 -1.29 -1.19 -0.699 -0.44591756097561 -0.559063649593596 -1.2659 -0.9122 2142945 PK04_098187 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J10 compound treatment -2.301 -1.96 -1.94 -2.13 -1.77 -1.64 -0.917 -0.66391756097561 -0.832378464432364 -2.5508 -0.9528 2141450 PK04_098188 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J11 compound treatment -2.696 -2.35 -2.34 -1.531 -1.17 -1.09 -1.295 -1.04191756097561 -1.30629130851059 -2.7309 -0.9451 2144285 PK04_098189 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J12 compound treatment -0.403 -0.0579 -0.06 -0.407 -0.0494 -0.05 -0.393 -0.13991756097561 -0.175419918673123 -0.1609 -0.8461 2141139 PK04_098190 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J13 compound treatment 0.025 0.37 0.37 -0.776 -0.418 -0.39 -0.026 0.22708243902439 0.284701810894894 0.1531 0.2529 2143473 PK04_098191 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J14 compound treatment -0.479 -0.134 -0.13 -1.128 -0.77 -0.71 -0.528 -0.27491756097561 -0.34467450584392 -0.6877 -0.8561 2144013 PK04_098192 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J15 compound treatment -0.642 -0.297 -0.3 -1.027 -0.669 -0.62 -0.985 -0.73191756097561 -0.917632626859135 -1.0581 -0.9233 2142837 PK04_098193 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J16 compound treatment -0.75 -0.405 -0.4 -1.423 -1.07 -0.99 -1.921 -1.66791756097561 -2.09113109790999 -2.0093 -0.8561 2141784 PK04_098194 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J17 compound treatment -0.258 0.0871 0.09 -0.244 0.114 0.11 -0.134 0.11908243902439 0.149298141158257 0.1969 0.9743 2144425 PK04_098195 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J18 compound treatment -0.11 0.235 0.23 -0.977 -0.619 -0.57 -0.672 -0.41891756097561 -0.525212732159437 -0.4994 -0.615 2141332 PK04_098196 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J19 compound treatment -0.684 -0.339 -0.34 -1.278 -0.92 -0.85 -1.093 -0.83991756097561 -1.05303629659577 -1.2945 -0.9273 2143957 PK04_098197 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J20 compound treatment 0.427 0.772 0.77 1.029 1.39 1.27 0.011 0.26408243902439 0.33109010515652 1.3654 0.8999 2141933 PK04_098198 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J21 mock treatment -0.96 -0.615 -0.61 -2.083 -1.73 -1.6 -0.753 -0.49991756097561 -0.626765484461915 -1.6372 -0.8987 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J22 mock treatment -2.854 -2.51 -2.49 -2.438 -2.08 -1.93 -1.166 -0.91291756097561 -1.14455914743628 -3.2131 -0.9583 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J23 compound treatment -1.259 -0.914 -0.91 -0.789 -0.431 -0.4 -0.881 -0.62791756097561 -0.787243907853485 -1.2097 -0.9549 2144049 PK04_098199 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 J24 compound treatment 0.182 0.527 0.52 1.275 1.63 1.34 0.093 0.34608243902439 0.433896595141745 1.3245 0.8833 2141196 PK04_098200 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K01 compound treatment -0.709 -0.364 -0.36 -0.732 -0.374 -0.35 -0.326 -0.07291756097561 -0.0914194939290983 -0.4618 -0.9067 2141522 PK04_098201 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K02 compound treatment -0.533 -0.188 -0.19 -1.182 -0.824 -0.76 -0.429 -0.17591756097561 -0.220554475252002 -0.6759 -0.8281 2142617 PK04_098202 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K03 compound treatment -2.663 -2.32 -2.3 -2.008 -1.65 -1.53 -1.495 -1.24191756097561 -1.55703884505992 -3.1117 -0.9806 2141439 PK04_098203 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K04 compound treatment -0.913 -0.568 -0.56 -1.537 -1.18 -1.09 -1.177 -0.92391756097561 -1.15835026194649 -1.6253 -0.9622 2143329 PK04_098204 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K05 compound treatment -0.273 0.0721 0.07 -0.926 -0.568 -0.53 -1.258 -1.00491756097561 -1.25990301424897 -0.9899 -0.724 2141725 PK04_098205 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K06 compound treatment -0.793 -0.448 -0.45 -1.443 -1.09 -1.01 -1.094 -0.84091756097561 -1.05429003427852 -1.446 -0.9494 2142973 PK04_098206 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K07 mock treatment -1.562 -1.22 -1.21 -1.29 -0.932 -0.86 -1.584 -1.33091756097561 -1.66862149882437 -2.1603 -0.9668 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K08 mock treatment -1.169 -0.824 -0.82 -1.278 -0.92 -0.85 -0.952 -0.69891756097561 -0.876259283328496 -1.4709 -0.9996 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K09 compound treatment -0.493 -0.148 -0.15 -0.928 -0.57 -0.53 -0.57 -0.31691756097561 -0.397331488519279 -0.6192 -0.9146 2141136 PK04_098207 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K10 compound treatment -2.587 -2.24 -2.23 -1.519 -1.16 -1.08 -1.519 -1.26591756097561 -1.58712854944584 -2.824 -0.9606 2143005 PK04_098208 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K11 compound treatment -1.866 -1.52 -1.51 -1.268 -0.91 -0.84 -1.19 -0.93691756097561 -1.1746488518222 -2.0379 -0.9741 2141925 PK04_098209 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K12 compound treatment -1.025 -0.68 -0.68 -1.149 -0.791 -0.73 -0.657 -0.40391756097561 -0.506406666918237 -1.1057 -0.9888 2144741 PK04_098210 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K13 compound treatment 0.12 0.465 0.46 0.099 0.457 0.42 -0.268 -0.01491756097561 -0.0187027083297931 0.5002 0.7981 2141147 PK04_098211 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K14 compound treatment -0.251 0.0941 0.09 -0.615 -0.257 -0.24 -0.461 -0.20791756097561 -0.260674081099895 -0.2341 -0.6407 2143465 PK04_098212 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K15 mock treatment -1.89 -1.54 -1.54 -1.958 -1.6 -1.48 -1.041 -0.78791756097561 -0.987841937092947 -2.3127 -0.9834 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K16 mock treatment -1.964 -1.62 -1.61 -2.533 -2.18 -2.01 -1.916 -1.66291756097561 -2.08486240949626 -3.2959 -0.994 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K17 compound treatment -0.422 -0.0769 -0.08 -1.704 -1.35 -1.25 -1.246 -0.99291756097561 -1.24485816205601 -1.4827 -0.8408 2141530 PK04_098213 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K18 compound treatment -0.799 -0.454 -0.45 -1.576 -1.22 -1.13 -0.908 -0.65491756097561 -0.821094825287644 -1.386 -0.9451 2143169 PK04_098214 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K19 compound treatment -1.179 -0.834 -0.83 -1.364 -1.01 -0.93 -1.119 -0.86591756097561 -1.08563347634719 -1.6435 -0.9939 2141707 PK04_098215 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K20 compound treatment -0.983 -0.638 -0.63 -1.312 -0.954 -0.88 -0.481 -0.22791756097561 -0.285748834754828 -1.0414 -0.9259 2143073 PK04_098216 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K21 compound treatment -1.986 -1.64 -1.63 -0.447 -0.0894 -0.08 -1.266 -1.01291756097561 -1.26993291571094 -1.7229 -0.8327 2141428 PK04_098217 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K22 compound treatment -1.763 -1.42 -1.41 -1.047 -0.689 -0.64 -1.116 -0.86291756097561 -1.08187226329895 -1.807 -0.957 2142725 PK04_098218 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K23 mock treatment -2.137 -1.79 -1.78 -1.327 -0.969 -0.9 -1.228 -0.97491756097561 -1.22229088376657 -2.2525 -0.9628 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 K24 mock treatment -2.0 -1.65 -1.65 -1.865 -1.51 -1.4 -1.412 -1.15891756097561 -1.45297861739195 -2.5946 -0.9975 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L01 compound treatment -0.679 -0.334 -0.33 -1.419 -1.06 -0.98 -0.659 -0.40591756097561 -0.50891414228373 -1.0529 -0.9112 2143889 PK04_098219 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L02 compound treatment -0.839 -0.494 -0.49 -1.244 -0.886 -0.82 -1.304 -1.05091756097561 -1.31757494765531 -1.5181 -0.9324 2141700 PK04_098220 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L03 compound treatment -0.134 0.211 0.21 -0.275 0.0826 0.08 -0.35 -0.09691756097561 -0.121509198315018 0.0952 0.3743 2142733 PK04_098221 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L04 compound treatment -0.888 -0.543 -0.54 -1.011 -0.653 -0.61 -1.028 -0.77491756097561 -0.971543347217241 -1.2219 -0.9656 2141934 PK04_098222 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L05 compound treatment -0.6 -0.255 -0.25 -0.573 -0.215 -0.2 0.269 0.52208243902439 0.654554427305154 0.1164 0.1596 2143873 PK04_098223 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L06 compound treatment -0.905 -0.56 -0.56 -1.25 -0.892 -0.83 -1.206 -0.95291756097561 -1.19470865474614 -1.4882 -0.9567 2141797 PK04_098224 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L07 mock treatment -1.199 -0.854 -0.85 -1.174 -0.816 -0.76 -1.433 -1.17991756097561 -1.47930710872963 -1.7807 -0.9545 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L08 mock treatment -1.731 -1.39 -1.38 -1.205 -0.847 -0.78 -1.453 -1.19991756097561 -1.50438186238456 -2.1171 -0.9686 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L09 compound treatment -0.847 -0.502 -0.5 -1.358 -1.0 -0.93 -0.933 -0.67991756097561 -0.85243826735631 -1.3151 -0.9711 2142957 PK04_098225 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L10 compound treatment -1.804 -1.46 -1.45 -1.462 -1.1 -1.02 -0.841 -0.58791756097561 -0.737094400543619 -1.8534 -0.9645 3413983 PK04_098226 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L11 compound treatment -1.399 -1.05 -1.05 -0.863 -0.505 -0.47 -0.936 -0.68291756097561 -0.85619948040455 -1.3694 -0.9565 2142717 PK04_098227 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L12 compound treatment -2.185 -1.84 -1.83 -2.163 -1.81 -1.67 -1.955 -1.70191756097561 -2.13375817912338 -3.2532 -0.9948 3413985 PK04_098228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L13 compound treatment -0.472 -0.127 -0.13 -0.775 -0.417 -0.39 -0.702 -0.44891756097561 -0.562824862641836 -0.6209 -0.8943 2143357 PK04_098229 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L14 compound treatment 0.187 0.532 0.53 1.334 1.69 1.35 -0.386 -0.13291756097561 -0.166643754893897 0.9892 0.6773 3413987 PK04_098230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L15 mock treatment -0.961 -0.616 -0.61 -1.298 -0.94 -0.87 -1.511 -1.25791756097561 -1.57709864798387 -1.7668 -0.9286 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L16 mock treatment -1.011 -0.666 -0.66 -0.89 -0.532 -0.49 -1.101 -0.84791756097561 -1.06306619805775 -1.2806 -0.9515 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L17 compound treatment 0.23 0.575 0.57 -0.3 0.0576 0.05 -0.598 -0.34491756097561 -0.432436143636185 0.1112 0.1547 2143089 PK04_098231 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L18 compound treatment 0.079 0.424 0.42 -1.674 -1.32 -1.22 -1.633 -1.37991756097561 -1.73005464527896 -1.4592 -0.6762 3413990 PK04_098232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L19 compound treatment -0.336 0.00907 0.01 -0.773 -0.415 -0.38 -0.208 0.04508243902439 0.0565215526350055 -0.1842 -0.4738 2144137 PK04_098233 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L20 compound treatment -0.756 -0.411 -0.41 -1.052 -0.694 -0.64 -1.028 -0.77491756097561 -0.971543347217241 -1.168 -0.9461 3413992 PK04_098234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L21 compound treatment -0.868 -0.523 -0.52 -1.16 -0.802 -0.74 -0.788 -0.53491756097561 -0.670646303358047 -1.1163 -0.9898 2143369 PK04_098235 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L22 compound treatment 0.171 0.516 0.51 0.44 0.798 0.74 -0.785 -0.53191756097561 -0.666885090309807 0.3376 0.3015 3413998 PK04_098236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5cccc(Br)c5)C/C=C/C[C@@H](Cc6cccc(Br)c6)C(=O)O[C@@H]14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L23 mock treatment -0.966 -0.621 -0.62 -0.79 -0.432 -0.4 -1.021 -0.76791756097561 -0.962767183438015 -1.1434 -0.9436 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 L24 mock treatment -3.683 -3.34 -3.32 -2.569 -2.21 -2.05 -2.549 -2.29591756097561 -2.87847836267488 -4.76 -0.9821 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M01 compound treatment -0.551 -0.206 -0.2 -1.487 -1.13 -1.05 -1.12 -0.86691756097561 -1.08688721402993 -1.3495 -0.8866 2141977 PK04_098237 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M02 compound treatment -1.263 -0.918 -0.91 -3.323 -2.97 -2.75 -1.582 -1.32891756097561 -1.66611402345888 -3.0741 -0.9207 2144277 PK04_098238 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M03 compound treatment -1.132 -0.787 -0.78 -1.672 -1.31 -1.22 -1.69 -1.43691756097561 -1.80151769319552 -2.1945 -0.9497 2143353 PK04_098239 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M04 compound treatment -0.238 0.107 0.11 -1.006 -0.648 -0.6 -1.566 -1.31291756097561 -1.64605422053493 -1.2355 -0.7039 2142753 PK04_098240 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M05 compound treatment 0.158 0.503 0.5 -1.371 -1.01 -0.94 -1.146 -0.89291756097561 -1.11948439378134 -0.8993 -0.5825 2142713 PK04_098241 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M06 compound treatment -1.418 -1.07 -1.07 -0.934 -0.576 -0.53 -0.544 -0.29091756097561 -0.364734308767866 -1.1346 -0.9096 2143893 PK04_098242 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M07 compound treatment -0.599 -0.254 -0.25 -0.9 -0.542 -0.5 -0.612 -0.35891756097561 -0.449988471194638 -0.6955 -0.9659 2143173 PK04_098243 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M08 compound treatment -1.546 -1.2 -1.19 -1.25 -0.892 -0.83 -1.275 -1.02191756097561 -1.28121655485566 -1.9061 -0.9843 2143913 PK04_098244 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M09 mock treatment -1.664 -1.32 -1.31 -2.965 -2.61 -2.41 -1.277 -1.02391756097561 -1.28372403022116 -2.8921 -0.9537 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M10 mock treatment -1.456 -1.11 -1.1 -1.931 -1.57 -1.46 -1.115 -0.86191756097561 -1.0806185256162 -2.1027 -0.9901 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M11 compound treatment -0.961 -0.616 -0.61 -1.634 -1.28 -1.18 -0.607 -0.35391756097561 -0.443719782780905 -1.2921 -0.9209 2143965 PK04_098245 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M12 compound treatment -0.696 -0.351 -0.35 -1.183 -0.825 -0.76 -0.679 -0.42591756097561 -0.533988895938663 -0.951 -0.9553 2144453 PK04_098246 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M13 mock treatment -1.445 -1.1 -1.09 -1.463 -1.11 -1.02 -1.383 -1.12991756097561 -1.4166202245923 -2.0402 -0.9896 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M14 mock treatment -0.987 -0.642 -0.64 -1.546 -1.19 -1.1 -1.633 -1.37991756097561 -1.73005464527896 -2.0026 -0.9326 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M15 compound treatment -1.013 -0.668 -0.66 -1.985 -1.63 -1.51 -1.074 -0.82091756097561 -1.02921528062359 -1.8476 -0.9514 2142065 PK04_098247 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M16 compound treatment -0.962 -0.617 -0.61 -0.705 -0.347 -0.32 -2.0 -1.74691756097561 -2.19017637484698 -1.8043 -0.7855 2143293 PK04_098248 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M17 compound treatment -0.604 -0.259 -0.26 -0.745 -0.387 -0.36 -0.413 -0.15991756097561 -0.200494672328056 -0.4715 -0.9723 2142857 PK04_098249 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M18 compound treatment -0.996 -0.651 -0.65 -1.228 -0.87 -0.81 -0.732 -0.47891756097561 -0.600436993124235 -1.1856 -0.9918 2142613 PK04_098250 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M19 compound treatment -0.747 -0.402 -0.4 -1.028 -0.67 -0.62 -0.811 -0.55791756097561 -0.69948227006122 -0.9929 -0.9763 2142697 PK04_098251 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M20 compound treatment -0.582 -0.237 -0.24 -0.67 -0.312 -0.29 -0.79 -0.53691756097561 -0.67315377872354 -0.6916 -0.8987 2144821 PK04_098252 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M21 compound treatment -1.521 -1.18 -1.17 -1.689 -1.33 -1.23 -1.669 -1.41591756097561 -1.77518920185784 -2.4116 -0.9815 2142965 PK04_098253 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M22 compound treatment -1.147 -0.802 -0.8 -1.521 -1.16 -1.08 -0.808 -0.55491756097561 -0.69572105701298 -1.4839 -0.9827 2144777 PK04_098254 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M23 compound treatment -1.857 -1.51 -1.5 -2.647 -2.29 -2.12 -1.164 -0.91091756097561 -1.14205167207078 -2.7511 -0.9692 2141143 PK04_098255 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 M24 compound treatment -0.917 -0.572 -0.57 -1.734 -1.38 -1.27 -1.0 -0.74691756097561 -0.936438692100335 -1.6047 -0.9549 2144937 PK04_098256 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N01 compound treatment -0.423 -0.0779 -0.08 -1.074 -0.716 -0.66 -0.51 -0.25691756097561 -0.32210722755448 -0.6137 -0.8277 2144901 PK04_098257 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N02 compound treatment -0.932 -0.587 -0.58 -2.38 -2.02 -1.87 -1.171 -0.91791756097561 -1.15082783585001 -2.0825 -0.9157 3413999 PK04_098258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N03 compound treatment -0.754 -0.409 -0.41 -1.404 -1.05 -0.97 -1.855 -1.60191756097561 -2.00838441084871 -1.9537 -0.8619 2143297 PK04_098259 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N04 compound treatment -0.867 -0.522 -0.52 -1.308 -0.95 -0.88 -2.156 -1.90291756097561 -2.38575945335545 -2.1851 -0.8419 3414005 PK04_098260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N05 compound treatment -0.411 -0.0659 -0.07 -0.408 -0.0504 -0.05 -0.683 -0.42991756097561 -0.53900384666965 -0.376 -0.6899 2142017 PK04_098261 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N06 compound treatment -1.562 -1.22 -1.21 -3.216 -2.86 -2.65 -1.99 -1.73691756097561 -2.17763899801951 -3.4838 -0.9585 3188747 PK04_098262 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)CCc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N07 compound treatment -1.068 -0.723 -0.72 -1.139 -0.781 -0.72 -1.445 -1.19191756097561 -1.49435196092259 -1.6954 -0.9371 2143017 PK04_098263 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N08 compound treatment -1.153 -0.808 -0.8 -1.369 -1.01 -0.94 -1.471 -1.21791756097561 -1.526949140674 -1.886 -0.9607 3188748 PK04_098264 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N09 mock treatment -1.035 -0.69 -0.69 -2.07 -1.71 -1.59 -1.127 -0.87391756097561 -1.09566337780916 -1.944 -0.9503 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N10 mock treatment -2.525 -2.18 -2.17 -2.399 -2.04 -1.89 -1.19 -0.93691756097561 -1.1746488518222 -3.0207 -0.9724 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N11 compound treatment -1.497 -1.15 -1.15 -1.088 -0.73 -0.68 -0.972 -0.71891756097561 -0.901334036983429 -1.572 -0.9785 2144265 PK04_098265 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N12 compound treatment -1.315 -0.97 -0.96 -1.252 -0.894 -0.83 -0.958 -0.70491756097561 -0.883781709424976 -1.5451 -0.998 3069249 PK04_098266 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3c(OC)cccc3OC)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N13 mock treatment -1.132 -0.787 -0.78 -1.646 -1.29 -1.19 -1.415 -1.16191756097561 -1.45673983044019 -1.9815 -0.9718 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N14 mock treatment -1.603 -1.26 -1.25 -3.063 -2.71 -2.51 -1.549 -1.29591756097561 -1.62474067992824 -3.1064 -0.9596 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N15 compound treatment -0.671 -0.326 -0.32 -1.127 -0.769 -0.71 -0.796 -0.54291756097561 -0.68067620482002 -0.9914 -0.9558 2143165 PK04_098267 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N16 compound treatment -0.594 -0.249 -0.25 -1.444 -1.09 -1.01 -1.397 -1.14391756097561 -1.43417255215075 -1.5517 -0.8771 3188751 PK04_098268 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N17 compound treatment -0.265 0.0801 0.08 -1.162 -0.804 -0.74 -0.45 -0.19691756097561 -0.246882966589682 -0.5266 -0.6677 2144365 PK04_098269 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N18 compound treatment -0.931 -0.586 -0.58 -0.719 -0.361 -0.33 -0.632 -0.37891756097561 -0.475063224849571 -0.8038 -0.9769 3188752 PK04_098270 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N19 compound treatment -0.273 0.0721 0.07 -0.54 -0.182 -0.17 -0.381 -0.12791756097561 -0.160375066480164 -0.1487 -0.6104 2142105 PK04_098271 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N20 compound treatment -0.676 -0.331 -0.33 -0.998 -0.64 -0.59 -0.586 -0.33291756097561 -0.417391291443225 -0.7733 -0.9711 3068687 PK04_098272 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(OC)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N21 compound treatment -0.913 -0.568 -0.56 -2.813 -2.46 -2.27 -1.246 -0.99291756097561 -1.24485816205601 -2.3573 -0.8886 2144245 PK04_098273 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N22 compound treatment -0.591 -0.246 -0.24 -0.944 -0.586 -0.54 -0.41 -0.15691756097561 -0.196733459279816 -0.5682 -0.9061 3068689 PK04_098274 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N23 compound treatment 0.025 0.37 0.37 -0.056 0.302 0.28 0.137 0.39008243902439 0.489061053182597 0.656 0.9752 2143153 PK04_098275 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 N24 compound treatment -1.281 -0.936 -0.93 -0.295 0.0626 0.06 -0.665 -0.41191756097561 -0.51643656838021 -0.8019 -0.7524 3188876 PK04_098276 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O01 compound treatment -0.541 -0.196 -0.19 -0.5 -0.142 -0.13 -0.408 -0.15491756097561 -0.194225983914323 -0.3007 -0.9858 2143373 PK04_098277 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O02 compound treatment -0.347 -0.00193 0.0 -0.567 -0.209 -0.19 -0.4 -0.14691756097561 -0.18419608245235 -0.2194 -0.8204 2142209 PK04_098278 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O03 compound treatment -1.256 -0.911 -0.91 -1.75 -1.39 -1.29 -0.947 -0.69391756097561 -0.869990594914763 -1.7695 -0.9832 2144345 PK04_098279 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O04 compound treatment -0.674 -0.329 -0.33 -1.79 -1.43 -1.33 -1.165 -0.91191756097561 -1.14330540975353 -1.6146 -0.9064 2142673 PK04_098280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O05 compound treatment 0.193 0.538 0.53 -1.349 -0.991 -0.92 -1.037 -0.78391756097561 -0.982826986361961 -0.7886 -0.5449 2143977 PK04_098281 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O06 compound treatment -1.246 -0.901 -0.9 -1.882 -1.52 -1.41 -1.433 -1.17991756097561 -1.47930710872963 -2.1861 -0.9793 2142077 PK04_098282 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O07 compound treatment -1.517 -1.17 -1.17 -1.706 -1.35 -1.25 -1.164 -0.91091756097561 -1.14205167207078 -2.0529 -0.9993 2141985 PK04_098283 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O08 compound treatment -0.49 -0.145 -0.14 -0.862 -0.504 -0.47 -0.061 0.19208243902439 0.240820991998762 -0.2138 -0.3924 2143485 PK04_098284 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O09 compound treatment -0.763 -0.418 -0.42 0.813 1.17 1.08 -0.675 -0.42191756097561 -0.528973945207676 0.0805 0.0631 2144665 PK04_098285 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O10 compound treatment -1.725 -1.38 -1.37 -1.226 -0.868 -0.8 -1.048 -0.79491756097561 -0.996618100872174 -1.8317 -0.976 2143273 PK04_098286 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O11 mock treatment -2.851 -2.51 -2.49 -1.53 -1.17 -1.09 -1.266 -1.01291756097561 -1.26993291571094 -2.7983 -0.9329 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O12 mock treatment -1.467 -1.12 -1.12 -1.294 -0.936 -0.87 -1.313 -1.05991756097561 -1.32885858680003 -1.9118 -0.9857 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O13 compound treatment -1.122 -0.777 -0.77 -2.039 -1.68 -1.56 -0.991 -0.73791756097561 -0.925155052955615 -1.8789 -0.9543 2144773 PK04_098287 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O14 compound treatment -0.577 -0.232 -0.23 -1.228 -0.87 -0.81 -0.173 0.08008243902439 0.100402371531138 -0.5405 -0.6402 2143945 PK04_098288 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O15 compound treatment -0.629 -0.284 -0.28 -1.268 -0.91 -0.84 -0.802 -0.54891756097561 -0.6881986309165 -1.047 -0.9313 2144317 PK04_098289 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O16 compound treatment -0.534 -0.189 -0.19 -1.781 -1.42 -1.32 -0.923 -0.66991756097561 -0.839900890528844 -1.3543 -0.8604 2143905 PK04_098290 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O17 compound treatment -0.63 -0.285 -0.28 -1.336 -0.978 -0.91 -0.573 -0.31991756097561 -0.401092701567519 -0.9182 -0.891 2143917 PK04_098291 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O18 compound treatment -0.656 -0.311 -0.31 -1.377 -1.02 -0.94 -1.314 -1.06091756097561 -1.33011232448278 -1.4914 -0.8984 2144253 PK04_098292 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O19 compound treatment -0.819 -0.474 -0.47 -1.361 -1.0 -0.93 -1.154 -0.90091756097561 -1.12951429524332 -1.4606 -0.9505 2144105 PK04_098293 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O20 compound treatment -0.956 -0.611 -0.61 -0.851 -0.493 -0.46 -0.73 -0.47691756097561 -0.597929517758742 -0.9596 -0.9924 2144293 PK04_098294 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O21 compound treatment -1.19 -0.845 -0.84 -1.636 -1.28 -1.18 -1.148 -0.89491756097561 -1.12199186914684 -1.8162 -0.99 2142997 PK04_098295 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O22 compound treatment -1.274 -0.929 -0.92 -1.174 -0.816 -0.76 -0.619 -0.36591756097561 -0.458764634973864 -1.2345 -0.9655 2144737 PK04_098296 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O23 compound treatment -2.247 -1.9 -1.89 -0.886 -0.528 -0.49 -1.278 -1.02491756097561 -1.2849777679039 -2.116 -0.9051 2141452 PK04_098297 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 O24 compound treatment -0.808 -0.463 -0.46 -0.809 -0.451 -0.42 -0.76 -0.50691756097561 -0.635541648241141 -0.874 -0.983 2142677 PK04_098298 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P01 compound treatment -0.285 0.0601 0.06 -0.841 -0.483 -0.45 0.417 0.67008243902439 0.840107604351657 0.2611 0.2737 2144005 PK04_098299 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P02 compound treatment -0.878 -0.533 -0.53 -1.318 -0.96 -0.89 -0.498 -0.24491756097561 -0.307062375361521 -0.9966 -0.923 3068772 PK04_098300 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(C#N)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P03 compound treatment 0.124 0.469 0.47 -0.807 -0.449 -0.42 1.572 1.82508243902439 1.79901230078638 1.0677 0.5606 2142593 PK04_098301 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P04 compound treatment -0.656 -0.311 -0.31 -1.18 -0.822 -0.76 -1.32 -1.06691756097561 -1.33763475057926 -1.3904 -0.8856 3000699 PK04_098302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P05 compound treatment 0.062 0.407 0.4 -0.593 -0.235 -0.22 -0.706 -0.45291756097561 -0.567839813372822 -0.22 -0.3012 2144921 PK04_098303 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P06 compound treatment -0.602 -0.257 -0.26 -1.353 -0.995 -0.92 -0.896 -0.64291756097561 -0.806049973094684 -1.145 -0.9154 3000700 PK04_098304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P07 compound treatment -0.425 -0.0799 -0.08 -1.257 -0.899 -0.83 -0.256 -0.00291756097561002 -0.00365785613683334 -0.5288 -0.6321 2143937 PK04_098305 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P08 compound treatment -1.023 -0.678 -0.67 -1.792 -1.43 -1.33 -1.455 -1.20191756097561 -1.50688933775006 -2.0259 -0.9562 3000701 PK04_098306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P09 compound treatment -0.735 -0.39 -0.39 -1.153 -0.795 -0.74 -0.97 -0.71691756097561 -0.898826561617936 -1.168 -0.9535 2144785 PK04_098307 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P10 compound treatment -0.938 -0.593 -0.59 -0.801 -0.443 -0.41 -1.103 -0.84991756097561 -1.06557367342324 -1.1926 -0.928 3089322 PK04_098308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P11 mock treatment -0.694 -0.349 -0.35 0.109 0.467 0.43 -0.455 -0.20191756097561 -0.253151655003415 -0.097 -0.1592 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P12 mock treatment -2.91 -2.56 -2.55 -1.957 -1.6 -1.48 -1.892 -1.63891756097561 -2.05477270511034 -3.5136 -0.9776 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P13 compound treatment 0.354 0.699 0.69 -0.941 -0.583 -0.54 0.339 0.59208243902439 0.742316065097419 0.518 0.4498 2144213 PK04_098309 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P14 compound treatment -1.28 -0.935 -0.93 -1.299 -0.941 -0.87 -0.802 -0.54891756097561 -0.6881986309165 -1.4372 -0.9924 3089323 PK04_098310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P15 compound treatment -0.895 -0.55 -0.55 -1.087 -0.729 -0.68 -0.779 -0.52591756097561 -0.659362664213327 -1.0863 -0.9959 2144225 PK04_098311 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P16 compound treatment -1.0 -0.655 -0.65 -1.732 -1.37 -1.27 -1.148 -0.89491756097561 -1.12199186914684 -1.7584 -0.9676 3000703 PK04_098312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P17 compound treatment -0.155 0.19 0.19 -0.385 -0.0274 -0.03 -0.289 -0.03591756097561 -0.0450311996674725 0.0685 0.3494 2141953 PK04_098313 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P18 compound treatment -1.264 -0.919 -0.91 -1.429 -1.07 -0.99 -1.228 -0.97491756097561 -1.22229088376657 -1.8059 -0.9922 3000704 PK04_098314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)c4cc5ccccc5[nH]4)[C@H]1OC(=O)c6cc7ccccc7[nH]6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P19 compound treatment -0.872 -0.527 -0.52 -0.869 -0.511 -0.47 -0.611 -0.35791756097561 -0.448734733511891 -0.8349 -0.9979 2143337 PK04_098315 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P20 compound treatment -0.55 -0.205 -0.2 -1.101 -0.743 -0.69 -0.788 -0.53491756097561 -0.670646303358047 -0.9022 -0.9184 3089326 PK04_098316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P21 compound treatment -0.508 -0.163 -0.16 -0.006 0.352 0.33 -0.29 -0.03691756097561 -0.0462849373502192 0.0677 0.1848 2143233 PK04_098317 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P22 compound treatment -1.399 -1.05 -1.05 -0.832 -0.474 -0.44 -0.762 -0.50891756097561 -0.638049123606634 -1.2269 -0.9416 3089328 PK04_098318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P23 compound treatment -1.584 -1.24 -1.23 -0.759 -0.401 -0.37 -0.713 -0.45991756097561 -0.576615977152049 -1.2586 -0.8927 2142969 PK04_098319 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2098 P24 compound treatment -0.189 0.156 0.16 -0.087 0.271 0.25 -0.191 0.06208243902439 0.0778350932416984 0.2792 0.9159 3189006 PK04_098320 CC(C)[Si](OCCCNS(=O)(=O)c1ccc(Br)cc1)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A01 mock treatment 0.228 0.573 0.57 -0.136 0.222 0.21 0.076 0.32908243902439 0.412583054535052 0.6856 0.9357 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A02 mock treatment 0.092 0.437 0.43 -0.262 0.0956 0.09 -0.005 0.24808243902439 0.311030302232574 0.4816 0.8891 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A03 compound treatment -0.86 -0.515 -0.51 -1.643 -1.29 -1.19 -1.137 -0.88391756097561 -1.10820075463663 -1.6225 -0.9517 3076292 SMP2_000001 C[C@H](CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A04 compound treatment -0.717 -0.372 -0.37 0.291 0.649 0.6 -0.356 -0.10291756097561 -0.129031624411498 0.0588 0.082 170 SMP2_000002 CCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A05 compound treatment 0.615 0.96 0.95 0.113 0.471 0.44 0.669 0.92208243902439 1.15604950040381 1.4701 0.9416 3076293 SMP2_000003 CN(C)CC/C=C/1\c2ccccc2CC(O)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A06 compound treatment -0.595 -0.25 -0.25 -0.944 -0.586 -0.54 -0.52 -0.26691756097561 -0.334644604381947 -0.6501 -0.9498 2153 SMP2_000004 C[C@@H]1[C@@H](OC(=O)/C=C/C=C/c2ccccc2)[C@@]3(OC4(O[C@@H]3[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O4)c8ccccc8)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A07 compound treatment -0.103 0.242 0.24 -0.649 -0.291 -0.27 -0.505 -0.25191756097561 -0.315838539140747 -0.1992 -0.4149 3471112 SMP2_000005 CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A08 compound treatment 0.326 0.671 0.67 0.063 0.421 0.39 0.439 0.69208243902439 0.867689833372083 1.111 0.9563 2199 SMP2_000006 CC(C(C)c1ccc(O)cn1)C(N)C(=O)NC([C@H]2O[C@H]([C@@H](O)[C@H]2O)N3C=CC(=O)CC3=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A09 compound treatment -1.139 -0.794 -0.79 -0.948 -0.59 -0.55 -0.79 -0.53691756097561 -0.67315377872354 -1.16 -0.9892 698 SMP2_000007 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A10 compound treatment 0.724 1.07 1.06 4.812 5.17 1.73 2.706 2.95908243902439 2.06085265571395 2.805 0.9686 3199281 SMP2_000008 CC(=C[C@@H](O)C1=C[C@@H](O)[C@@H]2O[C@@H]2C1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A11 compound treatment 0.617 0.962 0.96 1.71 2.07 1.43 0.553 0.80608243902439 1.0106159292052 1.9625 0.9828 1001979 SMP2_000009 NCCC[C@H](N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A12 compound treatment -1.178 -0.833 -0.83 -1.937 -1.58 -1.46 -0.814 -0.56091756097561 -0.70324348310946 -1.7284 -0.9488 3199282 SMP2_000010 C[C@@H]1[C@@H](OC(=O)C)[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@]4(O)[C@@H](C=C(C)C4=O)[C@]13O)C2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A13 compound treatment -0.544 -0.199 -0.2 -0.53 -0.172 -0.16 -0.612 -0.35891756097561 -0.449988471194638 -0.4661 -0.902 1497 SMP2_000011 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A14 compound treatment -0.516 -0.171 -0.17 -0.553 -0.195 -0.18 -0.808 -0.55491756097561 -0.69572105701298 -0.6042 -0.818 1000212 SMP2_000012 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A15 compound treatment 0.043 0.388 0.39 -0.162 0.196 0.18 -0.128 0.12508243902439 0.156820567254737 0.4179 0.9201 3199283 SMP2_000013 COC1/C=C\OC2(C)Oc3c(C2=O)c4c(O)cc(NC(=O)\C(=C/C=C\C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(O)c4c(O)c3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A16 compound treatment -0.972 -0.627 -0.62 -0.619 -0.261 -0.24 0.955 1.20808243902439 1.51461847766935 0.3749 0.2264 2267 SMP2_000014 CO[C@H]1[C@H](O)C(O)[C@@H](OC1CO)n2c3c(Cl)cccc3c4c5C(=O)NC(=O)c5c6c7cccc(Cl)c7[nH]c6c24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A17 compound treatment 2.077 2.42 1.6 0.332 0.69 0.64 0.177 0.43008243902439 0.539210560492463 1.6015 0.8889 706 SMP2_000015 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A18 compound treatment -1.041 -0.696 -0.69 -0.873 -0.515 -0.48 -0.411 -0.15791756097561 -0.197987196962563 -0.7893 -0.9141 1098997 SMP2_000016 CCC1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A19 compound treatment -1.13 -0.785 -0.78 -0.987 -0.629 -0.58 -0.974 -0.72091756097561 -0.903841512348922 -1.3088 -0.985 1001956 SMP2_000017 CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A20 compound treatment -1.067 -0.722 -0.72 -0.703 -0.345 -0.32 -0.43 -0.17691756097561 -0.221808212934749 -0.7271 -0.8905 1912779 SMP2_000018 CC(NC(=O)c1ccccc1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A21 compound treatment 3.023 3.37 1.72 4.326 4.68 1.71 3.335 3.58808243902439 2.15336115900723 3.2224 0.9939 230 SMP2_000019 CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A22 compound treatment -0.247 0.0981 0.1 -0.5 -0.142 -0.13 -0.16 0.09308243902439 0.116700961406844 0.0475 0.2362 464 SMP2_000020 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A23 compound treatment -0.73 -0.385 -0.38 0.598 0.956 0.88 -0.037 0.21608243902439 0.270910696384681 0.4463 0.4457 548 SMP2_000021 N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2cc(I)c3c(N)ncnc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 A24 compound treatment -0.43 -0.0849 -0.08 -0.845 -0.487 -0.45 -0.711 -0.45791756097561 -0.574108501786555 -0.6408 -0.8717 3199284 SMP2_000022 C/C(=C/CNc1ncnc2[nH]cnc12)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B01 mock treatment 0.89 1.24 1.23 0.476 0.834 0.77 0.307 0.56008243902439 0.702196459249526 1.56 0.9681 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B02 mock treatment -0.05 0.295 0.29 0.051 0.409 0.38 -0.197 0.05608243902439 0.0703126671452185 0.4284 0.8853 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B03 compound treatment -0.665 -0.32 -0.32 -1.209 -0.851 -0.79 -1.035 -0.78191756097561 -0.980319510996468 -1.2048 -0.9285 1001866 SMP2_000023 NC(CCCNC(=N)N)C(=O)CC(Cc1ccccc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B04 compound treatment -0.449 -0.104 -0.1 -0.476 -0.118 -0.11 -0.65 -0.39691756097561 -0.49763050313901 -0.4103 -0.7891 3076299 SMP2_000024 C[C@@H]1CCOC(=O)/C=C\C=C/C(=O)O[C@@H]2C[C@@H]3OC4C=C(C)CCC4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B05 compound treatment 0.291 0.636 0.63 0.605 0.963 0.89 -0.148 0.10508243902439 0.131745813599804 0.9558 0.8683 3199377 SMP2_000025 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(=C/C[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C(=C/C[C@H](O)C[C@H]4O[C@@H](CC=C4)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)/C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H]5C[C@@H](C[C@H](C)O5)OC)/C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B06 compound treatment -0.577 -0.232 -0.23 -0.46 -0.102 -0.09 -0.46 -0.20691756097561 -0.259420343417148 -0.3376 -0.9384 3076300 SMP2_000026 CC1(C)C(O)C2(C)CCC1C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B07 compound treatment -1.276 -0.931 -0.93 -2.006 -1.65 -1.53 -1.282 -1.02891756097561 -1.28999271863489 -2.1603 -0.9809 3199378 SMP2_000027 CC(CO)C1CC(O)C2(C)OC3CC4OC5CC6(C)OC7CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)CC=CC4OC3CC2O1)OC(=O)C=C%11C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B08 compound treatment -0.742 -0.397 -0.39 -1.306 -0.948 -0.88 -0.899 -0.64591756097561 -0.809811186142924 -1.2024 -0.9558 3076301 SMP2_000028 Cn1cc(C[C@@H](N)C(=O)O)c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B09 compound treatment -0.917 -0.572 -0.57 -2.352 -1.99 -1.85 -0.945 -0.69191756097561 -0.86748311954927 -1.8953 -0.8948 28 SMP2_000029 CNc1ccc2oc(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]4C)nc2c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B10 compound treatment 0.201 0.546 0.54 0.161 0.519 0.48 0.385 0.63808243902439 0.799987998503764 1.0526 0.975 3199379 SMP2_000030 CC(C)CC(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B11 compound treatment -1.324 -0.979 -0.97 -1.599 -1.24 -1.15 -0.926 -0.67291756097561 -0.843662103577084 -1.7126 -0.9921 2006 SMP2_000031 O[C@H]1C2OC2[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B12 compound treatment -1.455 -1.11 -1.1 -1.591 -1.23 -1.14 -0.77 -0.51691756097561 -0.648079025068607 -1.6706 -0.974 3076303 SMP2_000032 CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B13 compound treatment -0.721 -0.376 -0.37 -0.827 -0.469 -0.43 -0.665 -0.41191756097561 -0.51643656838021 -0.7649 -0.9914 3076304 SMP2_000033 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C/2\C(=O)Nc3ccc(Cl)cc23)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B14 compound treatment -0.305 0.0401 0.04 -0.363 -0.00539 0.0 -0.42 -0.16691756097561 -0.209270836107283 -0.1007 -0.4726 1000114 SMP2_000034 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B15 compound treatment -0.659 -0.314 -0.31 -0.899 -0.541 -0.5 -0.714 -0.46091756097561 -0.577869714834795 -0.8033 -0.9722 277 SMP2_000035 OC[C@H]1O[C@H]([C@H](O)[C@H]1O)n2cnc3cc(Cl)c(Cl)cc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B16 compound treatment -0.508 -0.163 -0.16 -0.636 -0.278 -0.26 -0.811 -0.55791756097561 -0.69948227006122 -0.6462 -0.8471 3076306 SMP2_000036 CC(=O)c1ccc(cc1O)N2CCOCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B17 compound treatment 0.336 0.681 0.68 1.616 1.97 1.41 -0.341 -0.08791756097561 -0.110225559170298 1.1435 0.7277 2095622 SMP2_000037 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)c2ccccc2oc1=O)/C)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B18 compound treatment -0.387 -0.0419 -0.04 -0.376 -0.0184 -0.02 -0.303 -0.04991756097561 -0.0625835272259255 -0.07 -0.9083 1670 SMP2_000038 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B19 compound treatment -1.065 -0.72 -0.72 -1.55 -1.19 -1.1 -0.977 -0.72391756097561 -0.907602725397162 -1.5747 -0.9851 2090 SMP2_000039 CCOC(=O)C(C#N)C1C(=C(N)Oc2ccc(Br)cc12)C(=O)OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B20 compound treatment -0.388 -0.0429 -0.04 -0.238 0.12 0.11 -0.283 -0.02991756097561 -0.0375087735709926 0.0176 0.1417 1096696 SMP2_000040 Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B21 compound treatment -0.265 0.0801 0.08 -0.761 -0.403 -0.37 -0.582 -0.32891756097561 -0.412376340712239 -0.4078 -0.7255 3199380 SMP2_000041 NC1=NC(=O)/C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)/N1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B22 compound treatment -0.353 -0.00793 -0.01 -0.61 -0.252 -0.23 0.036 0.28908243902439 0.362433547225186 0.0698 0.1618 2137 SMP2_000042 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B23 compound treatment -0.725 -0.38 -0.38 -0.921 -0.563 -0.52 -0.479 -0.22591756097561 -0.283241359389335 -0.6828 -0.9704 3104545 SMP2_000043 CC1CC(C)/C=C(/C)\CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c(Br)[nH]c3ccccc23)C(=O)NC(CC(=O)O1)c4ccc(O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 B24 compound treatment -2.494 -2.15 -2.14 -2.16 -1.8 -1.67 -0.982 -0.72891756097561 -0.913871413810896 -2.7246 -0.9524 907437 SMP2_000044 CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@@H](N)CCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C01 mock treatment 0.028 0.373 0.37 0.085 0.443 0.41 0.58 0.83308243902439 1.04446684663936 1.0538 0.8917 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C02 mock treatment -0.794 -0.449 -0.45 -1.366 -1.01 -0.93 -0.393 -0.13991756097561 -0.175419918673123 -0.898 -0.8556 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C03 compound treatment -0.619 -0.274 -0.27 -0.681 -0.323 -0.3 -0.223 0.03008243902439 0.0377154873938059 -0.3083 -0.7585 907417 SMP2_000045 COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C04 compound treatment -0.437 -0.0919 -0.09 -1.213 -0.855 -0.79 -0.718 -0.46491756097561 -0.582884665565782 -0.8466 -0.8572 180 SMP2_000046 CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C05 compound treatment 0.096 0.441 0.44 -0.233 0.125 0.12 -0.381 -0.12791756097561 -0.160375066480164 0.2272 0.4724 3199382 SMP2_000047 C[C@@H]1CCC2[C@H](C[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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C06 compound treatment -0.506 -0.161 -0.16 10.608 11.0 1.91 13.103 13.3560824390244 2.61200415738418 2.5164 0.7772 3104900 SMP2_000048 C/C(=C\CCC1C=CC(OC1O)C2=CC(=O)OC2O)/CCC3=C(C)CCCC3(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C07 compound treatment 1.686 2.03 1.52 1.95 2.31 1.47 1.637 1.89008243902439 1.81929232986028 2.781 0.9955 907313 SMP2_000049 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C42OC(=O)c5ccccc54)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C08 compound treatment -1.562 -1.22 -1.21 -1.357 -0.999 -0.93 -1.151 -0.89791756097561 -1.12575308219508 -1.8827 -0.994 3076308 SMP2_000050 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C09 compound treatment -0.766 -0.421 -0.42 -0.714 -0.356 -0.33 -0.552 -0.29891756097561 -0.37476421022984 -0.6485 -0.9954 1002910 SMP2_000051 OC(C(O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C10 compound treatment -1.572 -1.23 -1.22 -1.067 -0.709 -0.66 -0.717 -0.46391756097561 -0.581630927883035 -1.4193 -0.9446 453 SMP2_000052 COc1cccc(c1N)c2cc(=O)c3ccccc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C11 compound treatment -0.662 -0.317 -0.32 -0.215 0.143 0.13 -0.544 -0.29091756097561 -0.364734308767866 -0.3163 -0.6328 3199383 SMP2_000053 C[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@]45O[C@@H]5C[C@@H](C14)c6ccc(=O)oc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C12 compound treatment -0.215 0.13 0.13 0.169 0.527 0.49 0.015 0.26808243902439 0.336105055887507 0.5502 0.9077 3199384 SMP2_000054 CC[C@H]1OC(=O)C[C@@H](O)C[C@@H](OC[C@]2(C)OC(C)[C@@H](O[C@@]3(C)C[C@@](C)(O)[C@@H](O)C(C)O3)[C@H](C2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(=C/C1CO[C@@H]4OC(C)[C@@H](O)[C@H](OC)C4OC)\C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C13 compound treatment -0.358 -0.0129 -0.01 -0.736 -0.378 -0.35 -0.211 0.04208243902439 0.0527603395867656 -0.1792 -0.5056 3076309 SMP2_000055 C[C@]12CC[C@H](C3CCC(C)(C)OC3)[C@@]2(C)[C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]41C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C14 compound treatment 1.476 1.82 1.48 2.952 3.31 1.6 0.624 0.87708243902439 1.09963130468021 2.4117 0.9885 222 SMP2_000056 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C15 compound treatment -0.25 0.0951 0.09 -0.669 -0.311 -0.29 -0.2 0.05308243902439 0.0665514540969786 -0.0735 -0.2365 3076310 SMP2_000057 CC1(C)CC[C@H](F)[C@@]2(CO[C@@]3(O)[C@H](O)[C@H]12)[C@@H]4CC[C@@H]5[C@@H](O)[C@@]43C(=O)C5=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C16 compound treatment 0.234 0.579 0.58 0.245 0.603 0.56 0.168 0.42108243902439 0.527926921347743 0.9593 0.9994 3199385 SMP2_000058 OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C(O)[C@@H]1O[C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C17 compound treatment 0.052 0.397 0.39 -0.92 -0.562 -0.52 -0.599 -0.34591756097561 -0.433689881318932 -0.3231 -0.412 1448 SMP2_000059 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C18 compound treatment -2.696 -2.35 -2.34 -3.341 -2.98 -2.76 -3.754 -3.50091756097561 -4.38923227038459 -5.4784 -0.9631 31 SMP2_000060 CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C19 compound treatment -1.444 -1.1 -1.09 -2.816 -2.46 -2.28 -2.039 -1.78591756097561 -2.2390721444741 -3.2377 -0.9594 95 SMP2_000061 CCCCCC(O)/C=C/C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C20 compound treatment -1.113 -0.768 -0.76 -1.197 -0.839 -0.78 -0.882 -0.62891756097561 -0.788497645536231 -1.3448 -0.9999 2065223 SMP2_000062 CN(C)c1ccc(cc1)C(O)(c2ccccc2)c3ccc(cc3)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C21 compound treatment 1.052 1.4 1.36 0.299 0.657 0.61 1.032 1.28508243902439 1.58679848313065 2.0495 0.943 3199386 SMP2_000063 CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)/C(=C\C=C/[C@H](O)[C@@H](OC(=O)N)/C(=C\[C@H](C)[C@H]1O)/C)/C)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C22 compound treatment -0.835 -0.49 -0.49 -1.107 -0.749 -0.69 -0.497 -0.24391756097561 -0.305808637678774 -0.8584 -0.9524 2041 SMP2_000064 OC(=O)CNC(=O)C(CS)Cc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C23 compound treatment -0.56 -0.215 -0.21 -0.423 -0.0654 -0.06 -0.234 0.01908243902439 0.0239243728835928 -0.1445 -0.6469 3076311 SMP2_000065 COc1cc2ccnc3cc[nH]c(c1OC)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 C24 compound treatment -1.035 -0.69 -0.69 -0.125 0.233 0.22 -0.359 -0.10591756097561 -0.132792837459737 -0.3483 -0.4764 907566 SMP2_000066 C/C(=C\CNc1ncnc2n(cnc12)C3OC(CO)[C@@H](O)[C@H]3O)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D01 mock treatment -0.949 -0.604 -0.6 -0.641 -0.283 -0.26 -0.395 -0.14191756097561 -0.177927394038617 -0.6009 -0.885 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D02 mock treatment -0.491 -0.146 -0.15 -0.552 -0.194 -0.18 -0.085 0.16808243902439 0.210731287612842 -0.066 -0.211 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D03 compound treatment 0.151 0.496 0.49 -0.181 0.177 0.16 -0.244 0.00908243902438999 0.0113869960561264 0.3857 0.7422 3199387 SMP2_000067 CCC1/C=C(/C)\CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)C(O)CC1=O)/C(=C/C4CCC(O)C(C4)OC)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D04 compound treatment -1.183 -0.838 -0.83 -1.02 -0.662 -0.61 -0.389 -0.13591756097561 -0.170404967942137 -0.9335 -0.8903 907555 SMP2_000068 CC1=C[C@H]2O[C@@H]3C[C@@H](O)C(C)(C43CO4)[C@@]2(CO)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D05 compound treatment -0.392 -0.0469 -0.05 -0.386 -0.0284 -0.03 -0.431 -0.17791756097561 -0.223061950617496 -0.1709 -0.745 1962 SMP2_000069 CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](O[C@@H]1C(=O)O)n2ccc(N)nc2=O)C(=N)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D06 compound treatment -1.124 -0.779 -0.77 -1.196 -0.838 -0.78 -1.14 -0.88691756097561 -1.11196196768486 -1.5373 -0.9844 852250 SMP2_000070 C1CCC(NC1)c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D07 compound treatment -1.345 -1.0 -0.99 -0.907 -0.549 -0.51 -0.916 -0.66291756097561 -0.831124726749617 -1.3475 -0.968 3076314 SMP2_000071 O[C@@H]1C=CC(Br)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D08 compound treatment -0.641 -0.296 -0.29 -0.713 -0.355 -0.33 -0.551 -0.29791756097561 -0.373510472547093 -0.5755 -0.9953 3076315 SMP2_000072 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(O)nc2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D09 compound treatment -1.732 -1.39 -1.38 -1.39 -1.03 -0.96 -1.173 -0.91991756097561 -1.1533353112155 -2.0139 -0.9891 3199389 SMP2_000073 CCCCCCCc1c(C)c(O)cc2c3ccccc3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D10 compound treatment -2.134 -1.79 -1.78 -1.28 -0.922 -0.85 -0.595 -0.34191756097561 -0.428674930587945 -1.7674 -0.8754 3199390 SMP2_000074 COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D11 compound treatment 0.78 1.13 1.12 0.52 0.878 0.81 0.2 0.45308243902439 0.568046527195636 1.4429 0.9654 832324 SMP2_000075 COc1cc(OC)c2c(=O)c(C)c(CC[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)/C=C/C=C/C(=C/C)/C)oc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D12 compound treatment -0.576 -0.231 -0.23 -0.296 0.0616 0.06 -0.31 -0.05691756097561 -0.071359691005152 -0.1408 -0.5699 2085117 SMP2_000076 COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D13 compound treatment -0.492 -0.147 -0.15 1.53 1.89 1.4 -0.352 -0.09891756097561 -0.124016673680511 0.65 0.4613 251 SMP2_000077 Nc1ncnc2n(cnc12)C3(CO)OC(=C)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D14 compound treatment 1.636 1.98 1.51 0.738 1.1 1.01 0.802 1.05508243902439 1.32279661220911 2.2227 0.9874 2007 SMP2_000078 CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](CC1(C)C)Oc3ccc4CC(NC(=O)c5[nH]cc(CC(=O)Nc6cc7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@@H](OC(=O)c9ccc(C)[nH]9)[C@H]8O)c(C)c7oc6=O)c5C)C(=O)Oc4c3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D15 compound treatment -0.964 -0.619 -0.62 -0.649 -0.291 -0.27 -0.963 -0.70991756097561 -0.890050397838709 -1.0249 -0.9191 751 SMP2_000079 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D16 compound treatment 0.006 0.351 0.35 -0.662 -0.304 -0.28 -0.046 0.20708243902439 0.259627057239962 0.1887 0.364 3076316 SMP2_000080 Oc1cc(ccc1C(=O)c2ccccc2)N3CCOCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D17 compound treatment 0.023 0.368 0.37 0.295 0.653 0.6 0.24 0.49308243902439 0.618196034505501 0.9171 0.9769 3076317 SMP2_000081 CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H](C[C@H](C[C@@H](C)C\C(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D18 compound treatment -0.622 -0.277 -0.28 -0.754 -0.396 -0.37 -0.55 -0.29691756097561 -0.372256734864346 -0.5858 -0.9914 1392 SMP2_000082 CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D19 compound treatment -1.685 -1.34 -1.33 -0.958 -0.6 -0.56 -0.811 -0.55791756097561 -0.69948227006122 -1.4939 -0.9314 610 SMP2_000083 O=S(=O)(N1CCCNCC1)c2cccc3cnccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D20 compound treatment -0.952 -0.607 -0.6 -0.607 -0.249 -0.23 -0.166 0.08708243902439 0.109178535310364 -0.4187 -0.6389 3076318 SMP2_000084 Oc1nccc2c(cccc12)S(=O)(=O)N3CCCNCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D21 compound treatment -0.713 -0.368 -0.37 -0.761 -0.403 -0.37 -0.614 -0.36091756097561 -0.452495946560131 -0.6881 -0.9952 616 SMP2_000085 COc1cc(O)c2c(=O)c(OC)c3CC(C)C(C(=O)C)c4c(OC)c(=O)c5c(O)cc(OC)c6c1c2c3c4c56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D22 compound treatment 5.79 6.14 1.91 2.14 2.5 1.5 1.592 1.84508243902439 1.80534806477733 3.0114 0.9952 1096695 SMP2_000086 Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D23 compound treatment 0.0 0.345 0.34 0.263 0.621 0.57 -0.003 0.25008243902439 0.313537777598067 0.7109 0.9618 3176136 SMP2_000087 C[C@@H]1C2NCC(C)C[C@H]2O[C@@]31CCC4C5CC=C6CC(O)CCC6(C)C5C(=O)C4=C3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 D24 compound treatment -1.424 -1.08 -1.07 -1.193 -0.835 -0.77 -0.781 -0.52791756097561 -0.661870139578821 -1.448 -0.9792 3076319 SMP2_000088 Nc1nc(OCC2CCCCC2)c3[nH]cnc3n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E01 mock treatment -0.605 -0.26 -0.26 -1.118 -0.76 -0.7 -0.856 -0.60291756097561 -0.755900465784819 -0.9921 -0.9317 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E02 mock treatment -0.513 -0.168 -0.17 -1.091 -0.733 -0.68 -0.603 -0.34991756097561 -0.438704832049918 -0.7417 -0.8985 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E03 compound treatment -0.709 -0.364 -0.36 -1.195 -0.837 -0.78 -0.861 -0.60791756097561 -0.762169154198552 -1.0966 -0.957 445 SMP2_000089 NC(=O)c1cccc(N)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E04 compound treatment 1.26 1.61 1.42 2.211 2.57 1.51 3.685 3.93808243902439 2.19549770965288 2.9612 0.9802 1057045 SMP2_000090 COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E05 compound treatment 3.682 4.03 1.78 3.52 3.88 1.65 5.531 5.78408243902439 2.35244955034637 3.3404 0.9878 1949 SMP2_000091 NOC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)ON)c3ccc(O)c(c3)C(=O)ON)C=CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E06 compound treatment -1.155 -0.81 -0.81 -1.079 -0.721 -0.67 -1.048 -0.79491756097561 -0.996618100872174 -1.4259 -0.9869 2180 SMP2_000092 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c4ncn(C(C)C)c4n2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E07 compound treatment -0.465 -0.12 -0.12 -0.25 0.108 0.1 -0.211 0.04208243902439 0.0527603395867656 0.0191 0.1167 1020463 SMP2_000093 Oc1cc2ccc(=O)oc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E08 compound treatment -0.906 -0.561 -0.56 -0.533 -0.175 -0.16 -0.589 -0.33591756097561 -0.421152504491465 -0.6589 -0.9184 3076699 SMP2_000094 CN1CCC[C@H]1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E09 compound treatment -1.201 -0.856 -0.85 -1.2 -0.842 -0.78 -1.065 -0.81191756097561 -1.01793164147887 -1.5293 -0.9937 1694 SMP2_000095 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E10 compound treatment -0.713 -0.368 -0.37 -1.551 -1.19 -1.11 -0.829 -0.57591756097561 -0.722049548350659 -1.266 -0.9243 2345 SMP2_000096 Nc1ncnc2n(ccc12)[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E11 compound treatment 0.759 1.1 1.1 0.197 0.555 0.51 0.127 0.38008243902439 0.476523676355131 1.2053 0.9256 3199487 SMP2_000097 C[C@@H]1CC[C@@]2(C[C@H](C)C3C(=CCC4[C@@]3(C)C[C@@H](O)C5[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]45C)C2[C@H]1C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E12 compound treatment -0.704 -0.359 -0.36 -1.492 -1.13 -1.05 -0.715 -0.46191756097561 -0.579123452517542 -1.1468 -0.9164 2240 SMP2_000098 CC(C)C[C@H](NP(=O)(O)OC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E13 compound treatment -0.778 -0.433 -0.43 -1.711 -1.35 -1.25 -0.92 -0.66691756097561 -0.836139677480604 -1.4548 -0.9285 1000145 SMP2_000099 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E14 compound treatment 11.123 11.5 2.05 11.963 12.3 1.93 3.511 3.76408243902439 2.17524572421794 3.5551 0.9988 267 SMP2_000100 CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C=CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E15 compound treatment -0.556 -0.211 -0.21 -1.207 -0.849 -0.79 -0.711 -0.45791756097561 -0.574108501786555 -0.9066 -0.9102 1114632 SMP2_000101 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E16 compound treatment -0.643 -0.298 -0.3 -0.671 -0.313 -0.29 -0.774 -0.52091756097561 -0.653093975799594 -0.7156 -0.925 1000121 SMP2_000102 C/C(=C\CO)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E17 compound treatment 2.551 2.9 1.67 1.691 2.05 1.43 3.607 3.86008243902439 2.18658007194079 3.0488 0.9842 1599897 SMP2_000103 O=c1n2CCc3c([nH]c4ccccc34)-c2nc5ccccc15 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E18 compound treatment -0.484 -0.139 -0.14 -0.439 -0.0814 -0.08 -0.227 0.02608243902439 0.0327005366628193 -0.1044 -0.6495 2354 SMP2_000104 COc1ccc2C3C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)N4c2c1)N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E19 compound treatment -0.806 -0.461 -0.46 -0.568 -0.21 -0.19 -0.481 -0.22791756097561 -0.285748834754828 -0.542 -0.9441 1001870 SMP2_000105 C/C(=C/C(=O)O)/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E20 compound treatment -0.12 0.225 0.22 0.326 0.684 0.63 0.162 0.41508243902439 0.520404495251263 0.7951 0.936 296 SMP2_000106 Nc1ncnc2N(=CNc21)C3CCCO3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E21 compound treatment -0.273 0.0721 0.07 0.412 0.77 0.71 0.16 0.41308243902439 0.51789701988577 0.7518 0.8506 600 SMP2_000107 COC(=O)/C=C/c1cc(O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E22 compound treatment 0.68 1.03 1.02 0.198 0.556 0.51 0.067 0.32008243902439 0.401299415390332 1.1171 0.9232 2327 SMP2_000108 CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C(NCC(=O)c4csc(n4)C(NC(=O)c5csc(n5)/C(=C\C)/NC(=O)C(NC(=O)c6csc(n6)C7(CCC(=NC7)c8nc(cs8)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=C)C(C)NC(=O)C(=C)NCC(C)NC1=O)C(C)O)C(C)(O)C(C)O)c9nccs9)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E23 compound treatment 5.996 6.34 1.92 7.023 7.38 1.82 0.821 1.07408243902439 1.3466176281813 2.9362 0.9894 3076759 SMP2_000109 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 E24 compound treatment 3.111 3.46 1.73 2.795 3.15 1.59 1.713 1.96608243902439 1.84191231842458 2.9774 0.9981 3199491 SMP2_000110 C/C=C/C1OC2=C(C(=O)C[C@H](C)O2)C(=O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F01 mock treatment -0.497 -0.152 -0.15 -0.704 -0.346 -0.32 -0.515 -0.26191756097561 -0.328375915968214 -0.462 -0.956 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F02 mock treatment -0.448 -0.103 -0.1 -0.724 -0.366 -0.34 -0.57 -0.31691756097561 -0.397331488519279 -0.4844 -0.9098 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F03 compound treatment -0.121 0.224 0.22 -0.189 0.169 0.16 -0.125 0.12808243902439 0.160581780302977 0.3115 0.986 907179 SMP2_000111 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F04 compound treatment -0.064 0.281 0.28 -0.676 -0.318 -0.29 -0.792 -0.53891756097561 -0.675661254089034 -0.399 -0.5061 3076760 SMP2_000112 COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F05 compound treatment -0.295 0.0501 0.05 -1.252 -0.894 -0.83 -1.468 -1.21491756097561 -1.52318792762576 -1.3288 -0.7661 328 SMP2_000113 C/C=C(/C)\C=C\1/CN=C2N(CCC2(O)C1=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F06 compound treatment -0.714 -0.369 -0.37 -1.087 -0.729 -0.68 -1.413 -1.15991756097561 -1.4542323550747 -1.4413 -0.8763 3076761 SMP2_000114 CNCC/C=C/1\c2ccccc2CC(O)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F07 compound treatment -0.835 -0.49 -0.49 -1.048 -0.69 -0.64 -0.605 -0.35191756097561 -0.441212307415411 -0.905 -0.9871 3199493 SMP2_000115 CCC/C=C/C=C/C(=O)O[C@H]1\C(=C\C(=O)OC)\C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@H]3C[C@H](OC(=O)C)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F08 compound treatment -1.028 -0.683 -0.68 -1.445 -1.09 -1.01 -1.089 -0.83591756097561 -1.04802134586479 -1.5784 -0.984 1046629 SMP2_000116 Nc1cc2c3ccccc3ccc2c4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F09 compound treatment -0.826 -0.481 -0.48 -1.425 -1.07 -0.99 -0.175 0.07808243902439 0.0978948961656447 -0.7901 -0.7168 1037664 SMP2_000117 CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)nc(O)nc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F10 compound treatment -0.625 -0.28 -0.28 -0.986 -0.628 -0.58 -0.503 -0.24991756097561 -0.313331063775254 -0.6775 -0.9448 1943 SMP2_000118 CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@@]4(C)O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F11 compound treatment -0.288 0.0571 0.06 -0.323 0.0346 0.03 -0.208 0.04508243902439 0.0565215526350055 0.0839 0.9726 3199494 SMP2_000119 CC[C@@H]1C[C@@]1(NC(=O)C2=C[C@H](CC)C[C@H]3[C@@H]2CCC3=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F12 compound treatment -0.762 -0.417 -0.41 -0.714 -0.356 -0.33 -0.422 -0.16891756097561 -0.211778311472776 -0.5521 -0.9676 1320 SMP2_000120 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC=C5C=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F13 compound treatment -1.234 -0.889 -0.88 -2.12 -1.76 -1.63 -1.482 -1.22891756097561 -1.54074025518422 -2.3419 -0.9709 745 SMP2_000121 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F14 compound treatment -0.463 -0.118 -0.12 -0.901 -0.543 -0.5 -0.6 -0.34691756097561 -0.434943619001678 -0.6093 -0.9022 2008 SMP2_000122 CC1=C(SCCO)C(=O)c2ccccc2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F15 compound treatment -1.198 -0.853 -0.85 -2.526 -2.17 -2.01 -1.534 -1.28091756097561 -1.60593461468704 -2.576 -0.9515 3199495 SMP2_000123 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(=O)(O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F16 compound treatment -0.249 0.0961 0.1 -1.084 -0.726 -0.67 -0.889 -0.63591756097561 -0.797273809315458 -0.7935 -0.7575 3076763 SMP2_000124 Oc1ccc2c(Oc3cc(O)ccc3C42OC(=O)c5ccc(Nc6nc(Cl)nc(Cl)n6)cc54)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F17 compound treatment 0.076 0.421 0.42 -0.734 -0.376 -0.35 -0.532 -0.27891756097561 -0.349689456574907 -0.1614 -0.2494 1433 SMP2_000125 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F18 compound treatment 0.383 0.728 0.72 2.224 2.58 1.52 1.434 1.68708243902439 1.75279340110058 2.305 0.9495 1100216 SMP2_000126 CC(=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C3CCC4(C)C3C(O)CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C(C)(C)C6CCC54C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F19 compound treatment -0.065 0.28 0.28 -0.393 -0.0354 -0.03 -0.123 0.13008243902439 0.16308925566847 0.236 0.7276 3000453 SMP2_000127 C[C@@H]1CC2OC(=O)C(=C)C2[C@H](O)[C@@]3(C)[C@H]1C=CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F20 compound treatment -0.692 -0.347 -0.34 -0.865 -0.507 -0.47 -0.618 -0.36491756097561 -0.457510897291118 -0.7345 -0.9913 3060680 SMP2_000128 Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F21 compound treatment 0.79 1.14 1.13 0.96 1.32 1.22 0.41 0.66308243902439 0.83133144057243 1.8359 0.988 1907753 SMP2_000129 CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4CCC(=O)C5=C(O)[C@H](CCCNC(=O)/C=C\C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F22 compound treatment 0.638 0.983 0.98 1.115 1.47 1.29 0.342 0.59508243902439 0.746077278145659 1.7412 0.9761 1001972 SMP2_000130 CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@@H]3O[C@@H]3C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F23 compound treatment 2.724 3.07 1.69 1.416 1.77 1.37 1.085 1.33808243902439 1.61194564018339 2.696 0.9963 3076765 SMP2_000131 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 F24 compound treatment -1.817 -1.47 -1.46 -2.046 -1.69 -1.56 -0.774 -0.52091756097561 -0.653093975799594 -2.1245 -0.949 288 SMP2_000132 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G01 mock treatment -0.663 -0.318 -0.32 -1.484 -1.13 -1.04 -0.671 -0.41791756097561 -0.52395899447669 -1.0872 -0.8991 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G02 mock treatment -0.309 0.0361 0.04 -0.52 -0.162 -0.15 0.47 0.72308243902439 0.906555701537229 0.4573 0.4972 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G03 compound treatment -0.42 -0.0749 -0.07 0.106 0.464 0.43 -0.201 0.05208243902439 0.065297716414232 0.2425 0.5505 2407 SMP2_000133 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G04 compound treatment 1.352 1.7 1.44 1.534 1.89 1.4 1.026 1.27908243902439 1.58387725232889 2.5549 0.9986 907364 SMP2_000134 CCC(C(=O)NC/C=C\C=C(\C)/C(OC)C(C)C1OC(\C=C/C=C\C=C(\C)/C(=O)c2c(O)cc[nH]c2=O)C(O)C1O)C3(O)OC(\C=C/C=C\C)C(C)(C)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G05 compound treatment 1.132 1.48 1.38 2.237 2.59 1.52 0.296 0.54908243902439 0.688405344739313 2.0711 0.9569 1978 SMP2_000135 OC(=O)/C=C/c1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G06 compound treatment -1.749 -1.4 -1.4 -2.986 -2.63 -2.43 -3.601 -3.34791756097561 -4.19741040492435 -4.6343 -0.9179 3076766 SMP2_000136 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G07 compound treatment 8.153 8.5 1.99 15.225 15.6 1.97 8.789 9.04208243902439 2.50330166526811 3.7304 0.9935 1117 SMP2_000137 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G08 compound treatment -1.084 -0.739 -0.73 -0.87 -0.512 -0.47 -0.608 -0.35491756097561 -0.444973520463651 -0.955 -0.9733 313 SMP2_000138 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G09 compound treatment -1.059 -0.714 -0.71 0.594 0.952 0.88 -0.428 -0.17491756097561 -0.219300737569256 -0.0277 -0.024 3076819 SMP2_000139 COCC(=O)c1ncn-2c1[C@@H]3CCNC3C(=O)c4cc(OC)ccc42 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G10 compound treatment -1.327 -0.982 -0.98 -0.951 -0.593 -0.55 -0.824 -0.57091756097561 -0.715780859936926 -1.2941 -0.9735 3199591 SMP2_000140 CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)CCCCCCCCC)COC(=O)Cc5ccc(O)c(OC)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G11 compound treatment -0.454 -0.109 -0.11 -0.439 -0.0814 -0.08 -0.294 -0.04091756097561 -0.0512998880812057 -0.1357 -0.9583 939 SMP2_000141 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G12 compound treatment -4.046 -3.7 -3.68 -2.374 -2.02 -1.87 -2.276 -2.02291756097561 -2.53620797528505 -4.6665 -0.9635 3076821 SMP2_000142 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G13 compound treatment -0.432 -0.0869 -0.09 -0.764 -0.406 -0.38 -0.341 -0.08791756097561 -0.110225559170298 -0.3308 -0.8239 1012954 SMP2_000143 OC(Cc1ccncc1)C(Cl)(Cl)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G14 compound treatment -0.603 -0.258 -0.26 -1.273 -0.915 -0.85 0.23 0.48308243902439 0.605658657678035 -0.2877 -0.2682 4637 SMP2_000144 C[C@@H]1C[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G15 compound treatment -0.143 0.202 0.2 -0.267 0.0906 0.08 0.087 0.34008243902439 0.426374169045265 0.4106 0.8576 942 SMP2_000145 OC(=O)c1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G16 compound treatment 0.208 0.553 0.55 1.19 1.55 1.31 0.307 0.56008243902439 0.702196459249526 1.4813 0.9329 3199592 SMP2_000146 CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1\C=C\C(=C\C(=O)O)\C)OC(=O)CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G17 compound treatment 0.237 0.582 0.58 -0.374 -0.0164 -0.02 -0.242 0.01108243902439 0.0138944714216197 0.3334 0.5757 1011013 SMP2_000147 Nc1ccc2nc3ccc(N)cc3[s+]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G18 compound treatment -1.413 -1.07 -1.06 -2.463 -2.11 -1.95 -2.77 -2.51691756097561 -3.15555439056189 -3.5604 -0.9228 3076824 SMP2_000148 NC(=O)OCC1N=C(N)N2CCC(O)(O)C32NC(=NC13)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G19 compound treatment -0.562 -0.217 -0.22 -0.106 0.252 0.23 -0.365 -0.11191756097561 -0.140315263556217 -0.071 -0.2046 3199593 SMP2_000149 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G20 compound treatment -0.294 0.0511 0.05 0.086 0.444 0.41 -0.023 0.23008243902439 0.288463023943134 0.433 0.8583 3185114 SMP2_000150 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G21 compound treatment -0.909 -0.564 -0.56 -0.708 -0.35 -0.32 -0.173 0.08008243902439 0.100402371531138 -0.453 -0.6911 3199594 SMP2_000151 C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G22 compound treatment -1.984 -1.64 -1.63 -1.397 -1.04 -0.96 -0.717 -0.46391756097561 -0.581630927883035 -1.8322 -0.9255 3076825 SMP2_000152 NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G23 compound treatment -1.7 -1.35 -1.35 -1.007 -0.649 -0.6 -0.635 -0.38191756097561 -0.478824437897811 -1.4013 -0.9035 1095351 SMP2_000153 COC1=C(Br)C(O)C(O)(CC#N)C=C1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 G24 compound treatment -3.124 -2.78 -2.76 -1.828 -1.47 -1.36 -1.969 -1.71591756097561 -2.15131050668183 -3.6232 -0.9644 3 SMP2_000154 Oc1ccc(/C=C(\C#N)/C(=O)NCc2ccccc2)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H01 mock treatment -0.966 -0.621 -0.62 -0.593 -0.235 -0.22 -0.561 -0.30791756097561 -0.386047849374559 -0.7051 -0.9278 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H02 mock treatment -0.483 -0.138 -0.14 -0.856 -0.498 -0.46 0.064 0.31708243902439 0.397538202342092 -0.1161 -0.1859 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H03 compound treatment -0.601 -0.256 -0.25 -0.767 -0.409 -0.38 -0.891 -0.63791756097561 -0.799781284680951 -0.8275 -0.8986 3199595 SMP2_000155 CCC(C)C(NC(=O)C1CC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NCC(=O)NC(CC(=O)N)C(=O)N1)C(=O)NC(Cc5ccccc5)C(=O)NCC(=O)NC(Cc6c[nH]cn6)C(=O)NC(Cc7ccc(O)cc7)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc8ccccc8)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H04 compound treatment -2.489 -2.14 -2.13 -2.037 -1.68 -1.56 -0.708 -0.45491756097561 -0.570347288738316 -2.4577 -0.9105 1303231 SMP2_000156 CN(C)CC(O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H05 compound treatment -1.173 -0.828 -0.82 -1.753 -1.4 -1.29 -1.4 -1.14691756097561 -1.43793376519899 -2.0514 -0.9763 3076826 SMP2_000157 Nc1ccccc1NC(=O)CCCCCCC(=O)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H06 compound treatment -0.618 -0.273 -0.27 -0.93 -0.572 -0.53 -0.603 -0.34991756097561 -0.438704832049918 -0.7159 -0.968 3076827 SMP2_000158 OC[C@H]1CC2CCN1CC2C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H07 compound treatment -1.359 -1.01 -1.01 -1.038 -0.68 -0.63 -0.978 -0.72491756097561 -0.908856463079909 -1.4704 -0.9827 3199596 SMP2_000159 OC(=O)c1cc(/C=C/c2ccc(/C=C/c3ccc(O)c(c3)C(=O)O)c(Br)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H08 compound treatment -0.08 0.265 0.26 -0.05 0.308 0.28 -0.442 -0.18891756097561 -0.236853065127709 0.1798 0.3956 1088673 SMP2_000160 CC(C)C1NC(=O)C(NC(=O)c2cc(N)c(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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H09 compound treatment -0.257 0.0881 0.09 -0.424 -0.0664 -0.06 -0.366 -0.11291756097561 -0.141569001238964 -0.0667 -0.3758 3069011 SMP2_000161 NCCC(=O)NCCc1c[nH]cn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H10 compound treatment -1.073 -0.728 -0.72 -0.459 -0.101 -0.09 -0.245 0.00808243902438999 0.0101332583733797 -0.4662 -0.6387 1025 SMP2_000162 CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(C[C@@H]5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H11 compound treatment -1.269 -0.924 -0.92 -0.431 -0.0734 -0.07 -0.412 -0.15891756097561 -0.19924093464531 -0.6846 -0.7265 1018447 SMP2_000163 Oc1ccc2c(c1)oc3c2c(=O)oc4cc(O)ccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H12 compound treatment -3.428 -3.08 -3.06 -2.808 -2.45 -2.27 -1.745 -1.49191756097561 -1.87047326574658 -4.1594 -0.9793 1000068 SMP2_000164 CC1=C(N2[C@H](SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H13 compound treatment -0.091 0.254 0.25 0.036 0.394 0.36 0.974 1.22708243902439 1.53843949364154 1.2445 0.7773 526 SMP2_000165 C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]2O[C@H]2[C@H](O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H14 compound treatment 0.897 1.24 1.23 0.44 0.798 0.74 0.747 1.00008243902439 1.25384103965805 1.8632 0.9763 460 SMP2_000166 CCC1NC(=O)C([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H15 compound treatment -0.41 -0.0649 -0.06 -0.366 -0.00839 -0.01 -0.552 -0.29891756097561 -0.37476421022984 -0.2581 -0.6786 907301 SMP2_000167 CCC(C)C(O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C1OC(=O)C1CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H16 compound treatment -1.131 -0.786 -0.78 -0.83 -0.472 -0.44 -0.119 0.13408243902439 0.168104206399457 -0.6066 -0.6658 3076266 SMP2_000168 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H17 compound treatment -0.404 -0.0589 -0.06 -0.655 -0.297 -0.28 -0.396 -0.14291756097561 -0.179181131721363 -0.2963 -0.8878 1001938 SMP2_000169 COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](OC3OC(COC(C)(C)C=C)[C@H](O)C(OC(=O)C)[C@@H]3O)C4=C(CC(O)[C@]4(C)C=C12)C(C)COC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H18 compound treatment 0.314 0.659 0.66 0.845 1.2 1.11 0.254 0.50708243902439 0.635748362063954 1.3883 0.9641 829 SMP2_000170 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H19 compound treatment -0.609 -0.264 -0.26 -0.92 -0.562 -0.52 -0.736 -0.48291756097561 -0.605451943855222 -0.8017 -0.9537 2334 SMP2_000171 C/C(=C\1/C(=O)NC(Cc2ccccc2)C1=O)/Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H20 compound treatment -0.987 -0.642 -0.64 -0.366 -0.00839 -0.01 -0.691 -0.43791756097561 -0.549033748131623 -0.6899 -0.8195 2109 SMP2_000172 OCc1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H21 compound treatment -1.154 -0.809 -0.8 -0.781 -0.423 -0.39 -0.543 -0.28991756097561 -0.36348057108512 -0.9005 -0.9325 2106 SMP2_000173 COC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H22 compound treatment -1.85 -1.5 -1.5 -1.121 -0.763 -0.71 -1.145 -0.89191756097561 -1.1182306560986 -1.9175 -0.9601 1260 SMP2_000174 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H23 compound treatment -1.252 -0.907 -0.9 -0.197 0.161 0.15 -0.248 0.00508243902438998 0.0063720453251398 -0.431 -0.4717 3076270 SMP2_000175 C[C@]12C=Cc3occc3C2CC[C@]4(C[C@H]5CCC41)C[C@]5(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 H24 compound treatment -1.656 -1.31 -1.3 -0.539 -0.181 -0.17 -0.434 -0.18091756097561 -0.226823163665736 -0.9804 -0.7352 3199601 SMP2_000176 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I01 mock treatment -0.441 -0.0959 -0.1 -1.033 -0.675 -0.63 -0.611 -0.35791756097561 -0.448734733511891 -0.6752 -0.8706 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I02 mock treatment 0.411 0.756 0.75 0.183 0.541 0.5 -0.095 0.15808243902439 0.198193910785376 0.8374 0.9057 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I03 compound treatment -0.159 0.186 0.18 -1.092 -0.734 -0.68 -0.6 -0.34691756097561 -0.434943619001678 -0.5369 -0.6483 3076271 SMP2_000177 OC(=O)/C=C/c1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I04 compound treatment 1.814 2.16 1.55 1.775 2.13 1.44 1.894 2.14708243902439 1.89154235245739 2.8202 0.9932 3199602 SMP2_000178 C/C(=C\CCC1=CC(=O)OC1O)/CC/C=C(\C)/CCC2=C(C)CCCC2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I05 compound treatment -0.667 -0.322 -0.32 -0.138 0.22 0.2 -0.02 0.23308243902439 0.292224236991374 0.1013 0.2117 1135 SMP2_000179 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I06 compound treatment -1.328 -0.983 -0.98 -0.744 -0.386 -0.36 -0.828 -0.57491756097561 -0.720795810667913 -1.1869 -0.9376 252 SMP2_000180 CCCCCCOC(=O)[C@]1(O)C[C@H]2O[C@@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I07 compound treatment -0.787 -0.442 -0.44 -0.478 -0.12 -0.11 -0.398 -0.14491756097561 -0.181688607086857 -0.4229 -0.866 3076272 SMP2_000181 COC(=O)C1=CO[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]3[C@@H]1CC=C3CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I08 compound treatment -0.878 -0.533 -0.53 -0.172 0.186 0.17 -0.604 -0.35091756097561 -0.439958569732665 -0.4607 -0.649 3199603 SMP2_000182 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I09 compound treatment -1.118 -0.773 -0.77 -1.67 -1.31 -1.22 -0.684 -0.43091756097561 -0.540257584352396 -1.4572 -0.9487 2129 SMP2_000183 OCC(O)C1OC(=O)C(=C1O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I10 compound treatment -1.402 -1.06 -1.05 -2.596 -2.24 -2.07 -0.712 -0.45891756097561 -0.575362239469302 -2.1355 -0.892 3199692 SMP2_000184 CCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)CCCCCCCC)COC(=O)Cc5ccc(O)c(OC)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I11 compound treatment 0.611 0.956 0.95 1.271 1.63 1.34 0.043 0.29608243902439 0.371209711004413 1.534 0.9128 1865 SMP2_000185 Clc1cccc(Nc2nnc(c3ccccc3)c4ccccc24)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I12 mock treatment -1.35 -1.0 -1.0 -1.825 -1.47 -1.36 -0.947 -0.69391756097561 -0.869990594914763 -1.8636 -0.982 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I13 compound treatment -0.18 0.165 0.16 -1.38 -1.02 -0.95 -0.536 -0.28291756097561 -0.354704407305893 -0.6566 -0.6411 3472730 SMP2_000186 CC12CCC3C(CC=C4CC(O)CCC34C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I14 compound treatment -0.758 -0.413 -0.41 -0.61 -0.252 -0.23 -0.657 -0.40391756097561 -0.506406666918237 -0.6643 -0.9593 3076274 SMP2_000187 Oc1ccc(cc1)C2COc3cc(O)ccc3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I15 compound treatment 0.641 0.986 0.98 2.104 2.46 1.5 1.133 1.38608243902439 1.63375059334825 2.3743 0.9795 2288 SMP2_000188 CC(=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I16 compound treatment -0.409 -0.0639 -0.06 -0.34 0.0176 0.02 -0.426 -0.17291756097561 -0.216793262203763 -0.1524 -0.673 3199693 SMP2_000189 COC(C(C)C1CC(O)C2(C)OC2/C=C\C(C)C3CC(CC(=O)O3)CC4OC4C(=O)O1)C(=CC=CC(=Cc5coc(C)n5)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I17 compound treatment 0.221 0.566 0.56 0.652 1.01 0.93 0.115 0.36808243902439 0.461478824162171 1.1311 0.9547 1025605 SMP2_000190 OCCN(CCO)CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I18 compound treatment -1.495 -1.15 -1.14 -0.564 -0.206 -0.19 -0.805 -0.55191756097561 -0.69195984396474 -1.1699 -0.8666 3060146 SMP2_000191 Oc1ccc(cc1)c2nc(c([nH]2)c3ccc(F)cc3)c4ccncc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I19 compound treatment -1.318 -0.973 -0.97 -0.645 -0.287 -0.27 -0.624 -0.37091756097561 -0.465033323387598 -0.9806 -0.8868 1874 SMP2_000192 Oc1cccc2c(O)nccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I20 compound treatment -1.117 -0.772 -0.77 -0.856 -0.498 -0.46 -0.512 -0.25891756097561 -0.324614702919974 -0.8969 -0.9416 1080610 SMP2_000193 COc1ccc(O)c2c(=O)c3c(OC)cc4OC5OC=CC5c4c3oc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I21 compound treatment -1.303 -0.958 -0.95 -2.317 -1.96 -1.81 -1.034 -0.78091756097561 -0.979065773313721 -2.1626 -0.9523 2290 SMP2_000194 C[C@]1(CC(N)CCC(N)C(=O)O)O[C@](C)([C@@H](O)[C@H]1O)n2cnc3c(N)ncnc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I22 compound treatment 0.503 0.848 0.84 1.049 1.41 1.27 0.438 0.69108243902439 0.866436095689336 1.7217 0.9809 3076167 SMP2_000195 CC(C)C1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(/C)\C=C/CNC(=O)\C=C/C1C)n3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I23 compound treatment -0.691 -0.346 -0.34 -0.52 -0.162 -0.15 -0.118 0.13508243902439 0.169357944082203 -0.1876 -0.4556 1077786 SMP2_000196 CC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(OC2(O)C7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 I24 compound treatment -1.504 -1.16 -1.15 -1.915 -1.56 -1.44 -0.938 -0.68491756097561 -0.858706955770043 -1.9936 -0.9793 325 SMP2_000197 N/C(=C(/C#N)\C(=C(/N)\Sc1ccccc1N)\C#N)/Sc2ccccc2N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J01 mock treatment -0.237 0.108 0.11 -1.202 -0.844 -0.78 -0.778 -0.52491756097561 -0.658108926530581 -0.7693 -0.7487 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J02 mock treatment -0.581 -0.236 -0.23 -1.118 -0.76 -0.7 -0.802 -0.54891756097561 -0.6881986309165 -0.9393 -0.928 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J03 compound treatment -0.714 -0.369 -0.37 -1.21 -0.852 -0.79 -0.648 -0.39491756097561 -0.495123027773517 -0.9533 -0.9521 3076170 SMP2_000198 OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J04 compound treatment -0.595 -0.25 -0.25 -1.229 -0.871 -0.81 -0.901 -0.64791756097561 -0.812318661508418 -1.0783 -0.9204 677 SMP2_000199 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J05 compound treatment -0.051 0.294 0.29 -0.837 -0.479 -0.44 -0.622 -0.36891756097561 -0.462525848022104 -0.3545 -0.5032 2060246 SMP2_000200 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CCC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J06 compound treatment -0.055 0.29 0.29 0.21 0.568 0.53 0.651 0.90408243902439 1.13348222211437 1.1244 0.8769 414 SMP2_000201 CC1CNCCN1S(=O)(=O)c2cccc3cnccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J07 compound treatment -1.112 -0.767 -0.76 -1.421 -1.06 -0.98 -0.674 -0.42091756097561 -0.52772020752493 -1.3134 -0.971 1972 SMP2_000202 COC(=O)/C(=C\Nc1ccc(Oc2ccccc2OC(C)C)nc1)/NC(=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J08 compound treatment -0.055 0.29 0.29 -0.12 0.238 0.22 -0.253 8.24390243899797E-5 1.03356911406587E-4 0.2936 0.8094 3189311 SMP2_000203 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J09 compound treatment -0.561 -0.216 -0.21 -1.225 -0.867 -0.8 -0.606 -0.35291756097561 -0.442466045098158 -0.8431 -0.8952 2109607 SMP2_000204 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J10 compound treatment -0.044 0.301 0.3 -0.428 -0.0704 -0.07 -0.041 0.21208243902439 0.265895745653695 0.2887 0.7117 1960 SMP2_000205 CC(=C)[C@@H]1CC[C@@]2(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)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J11 compound treatment 0.278 0.623 0.62 0.309 0.667 0.62 0.085 0.33808243902439 0.423866693679772 0.9587 0.9866 3199694 SMP2_000206 CC1[C@H]2NC[C@@H](C)C[C@H]2O[C@@]31CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J12 compound treatment -1.346 -1.0 -1.0 -1.735 -1.38 -1.28 -0.582 -0.32891756097561 -0.412376340712239 -1.549 -0.9279 874122 SMP2_000207 COc1c(O)c2c(=O)cc3OCOc4cc(O)c5c(=O)c(OC)c(CC(C)O)c6c(c1CC(C)O)c2c3c4c56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J13 compound treatment -0.234 0.111 0.11 -0.942 -0.584 -0.54 -0.728 -0.47491756097561 -0.595422042393248 -0.5924 -0.7295 1301 SMP2_000208 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J14 compound treatment -0.391 -0.0459 -0.05 -0.767 -0.409 -0.38 -0.457 -0.20391756097561 -0.255659130368908 -0.3928 -0.8549 1001900 SMP2_000209 Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J15 compound treatment -0.37 -0.0249 -0.02 -0.783 -0.425 -0.39 -0.1 0.15308243902439 0.191925222371643 -0.1309 -0.2983 2056 SMP2_000210 CC(C)CC(NC(=O)NC(C1CCNC(=N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J16 compound treatment -0.605 -0.26 -0.26 -1.236 -0.878 -0.81 -1.07 -0.81691756097561 -1.0242003298926 -1.2101 -0.9077 599 SMP2_000211 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J17 compound treatment -0.585 -0.24 -0.24 -0.962 -0.604 -0.56 -0.619 -0.36591756097561 -0.458764634973864 -0.7257 -0.9524 162 SMP2_000212 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J18 compound treatment -0.465 -0.12 -0.12 -0.324 0.0336 0.03 -0.494 -0.24091756097561 -0.302047424630534 -0.2253 -0.6905 3076285 SMP2_000213 CN1C(=O)/C(=C/2\Nc3ccccc3\C2=N\O)/c4ccc(Br)cc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J19 compound treatment -0.332 0.0131 0.01 -0.545 -0.187 -0.17 -0.43 -0.17691756097561 -0.221808212934749 -0.2207 -0.783 3199695 SMP2_000214 CC1O[C@@H](O[C@H]2C[C@@H](C=O)C3C(CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)c6ccc(=O)oc6)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]7OC(CO)[C@@H](O)[C@@H](O)[C@H]7O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J20 compound treatment -0.443 -0.0979 -0.1 -0.353 0.00461 0.0 -0.224 0.02908243902439 0.0364617497110592 -0.0327 -0.3142 3076287 SMP2_000215 COc1cc(O)c(CC=C(C)C)c2OC(CC(=O)c12)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J21 compound treatment -0.579 -0.234 -0.23 -1.041 -0.683 -0.63 -0.555 -0.30191756097561 -0.378525423278079 -0.7182 -0.9288 2411 SMP2_000216 NCC1O[C@@H](O[C@@H]2[C@H](N)C[C@@H](N)C(O[C@H]3OC(CO)[C@@H](O)[C@@H](N)[C@H]3O)C2O)[C@H](N)C[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J22 compound treatment 3.079 3.42 1.73 5.425 5.78 1.76 1.518 1.77108243902439 1.78146163308792 3.0438 0.9999 3199697 SMP2_000217 CCC(=O)O[C@H]1C(C)O[C@](C)(C[C@]1(C)O)O[C@@H]2C(C)O[C@@H](CO[C@@H]3[C@@H](C)[C@@H](CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@@H]3CC(=O)C)OC(=O)CC)[C@H](O)[C@@H]2N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J23 compound treatment 1.262 1.61 1.42 1.148 1.51 1.3 0.674 0.92708243902439 1.16231818881754 2.2425 0.9967 3076290 SMP2_000218 C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)/C=C(/C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=C2C4=C3)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 J24 compound treatment -1.307 -0.962 -0.96 -1.189 -0.831 -0.77 -0.501 -0.24791756097561 -0.310823588409761 -1.176 -0.9286 3199698 SMP2_000219 CC(NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2(C)OC3OC(CO)C(O)C(O)(C3O)C(=O)N)c4cnc[nH]4)C(O)C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)c6nc(cs6)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K01 mock treatment -0.32 0.0251 0.02 -0.4 -0.0424 -0.04 -0.191 0.06208243902439 0.0778350932416984 0.0367 0.4044 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K02 mock treatment -0.497 -0.152 -0.15 -0.963 -0.605 -0.56 -1.379 -1.12591756097561 -1.41160527386131 -1.2258 -0.8031 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K03 compound treatment -0.781 -0.436 -0.43 -0.791 -0.433 -0.4 -0.456 -0.20291756097561 -0.254405392686162 -0.6288 -0.9777 3076443 SMP2_000220 CC(C)CCC[C@@H](C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K04 compound treatment 0.936 1.28 1.27 0.667 1.02 0.95 0.008 0.26108243902439 0.32732889210828 1.472 0.9078 25 SMP2_000221 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K05 compound treatment 0.108 0.453 0.45 -1.127 -0.769 -0.71 -0.677 -0.42391756097561 -0.53148142057317 -0.4581 -0.4597 3076448 SMP2_000222 CCC1=CC2C[C@@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@]31C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K06 compound treatment -1.41 -1.06 -1.06 -2.47 -2.11 -1.96 -2.472 -2.21891756097561 -2.78194056110339 -3.3467 -0.9396 309 SMP2_000223 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K07 compound treatment -0.392 -0.0469 -0.05 -0.165 0.193 0.18 -0.557 -0.30391756097561 -0.381032898643573 -0.144 -0.3401 1000097 SMP2_000224 Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K08 compound treatment -0.651 -0.306 -0.3 -0.703 -0.345 -0.32 -1.033 -0.77991756097561 -0.977812035630974 -0.9248 -0.862 2113458 SMP2_000225 CCC(=O)NCCc1c2scnc2c3nccc4c5ccccc5[nH]c1c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K09 compound treatment -3.189 -2.84 -2.83 -1.261 -0.903 -0.84 -1.21 -0.95691756097561 -1.19972360547713 -2.808 -0.8821 3076491 SMP2_000226 CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(=C1O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K10 compound treatment 3.298 3.64 1.75 2.774 3.13 1.58 1.622 1.87508243902439 1.81469125672151 2.9709 0.9984 3184 SMP2_000227 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)/C[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K11 compound treatment -0.851 -0.506 -0.5 -0.573 -0.215 -0.2 -0.434 -0.18091756097561 -0.226823163665736 -0.5365 -0.9144 1313 SMP2_000228 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K12 compound treatment -1.921 -1.58 -1.57 -1.022 -0.664 -0.62 -0.99 -0.73691756097561 -0.923901315272869 -1.7932 -0.9339 3199699 SMP2_000229 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(O)ccc4[nH]3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K13 compound treatment -1.047 -0.702 -0.7 -0.463 -0.105 -0.1 -0.23 0.02308243902439 0.0289393236145793 -0.4425 -0.6275 2709 SMP2_000230 Cc1ncc(CO)c(CO)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K14 compound treatment -0.645 -0.3 -0.3 -1.035 -0.677 -0.63 -0.05 0.20308243902439 0.254612106508975 -0.3873 -0.5236 3076498 SMP2_000231 CC1CC2OC2/C=C\C=C/C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K15 compound treatment -0.494 -0.149 -0.15 -0.657 -0.299 -0.28 -0.207 0.04608243902439 0.0577752903177522 -0.2122 -0.664 3076544 SMP2_000232 CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K16 compound treatment -0.687 -0.342 -0.34 -1.596 -1.24 -1.15 -0.92 -0.66691756097561 -0.836139677480604 -1.341 -0.919 633 SMP2_000233 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3ccccc3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K17 compound treatment 0.084 0.429 0.43 -0.179 0.179 0.17 -0.913 -0.65991756097561 -0.827363513701377 -0.1359 -0.1438 3199700 SMP2_000234 CC1OC2OC3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@@]45CCC(C)(C)C[C@H]5C6=CC[C@@H]7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9OC(CO)[C@@H](O)[C@H](O)C9O[C@@H]%10OC[C@@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1C(O[C@@H]%11OC[C@@H](O)[C@H](O)C%11O)[C@@H]2O)C(O)C%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K18 compound treatment -0.759 -0.414 -0.41 -1.533 -1.18 -1.09 -1.277 -1.02391756097561 -1.28372403022116 -1.6071 -0.9276 3076548 SMP2_000235 NC1N=CC(=N1)[C@H]2[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c4cc(Br)c[nH]4)[C@@H]2C5=NC(N)N=C5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K19 compound treatment -0.013 0.332 0.33 -0.135 0.223 0.21 0.135 0.38808243902439 0.486553577817104 0.5905 0.9478 3076550 SMP2_000236 CCCCC[C@H](O)[C@H](SCC(N)C(=O)O)/C=C/C=C/C=C\C/C=C\CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K20 compound treatment -0.562 -0.217 -0.22 -0.34 0.0176 0.02 -0.37 -0.11691756097561 -0.146583951969951 -0.1997 -0.7644 3199701 SMP2_000237 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C\C(=C/C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C=C\C(=C/C[C@@H](O)C[C@@H]4CCC[C@@H](CC(OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)O4)\C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]5C[C@@H](C[C@H](C)O5)OC)O3)\C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K21 compound treatment -2.418 -2.07 -2.06 -0.652 -0.294 -0.27 -1.119 -0.86591756097561 -1.08563347634719 -1.974 -0.8417 3076553 SMP2_000238 CC(C)CCC[C@@H](C)[C@H]1C[C@H](O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K22 compound treatment -0.865 -0.52 -0.52 -0.709 -0.351 -0.33 -0.853 -0.59991756097561 -0.752139252736579 -0.9205 -0.9501 2329 SMP2_000239 C[C@@H]1C[C@@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]5C=C(COC(=O)Cc6ccc(O)cc6)C[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O3)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K23 compound treatment -1.727 -1.38 -1.37 -0.813 -0.455 -0.42 -0.877 -0.62391756097561 -0.782228957122498 -1.4883 -0.9096 1000035 SMP2_000240 O=C1c2ccccc2-c3n[nH]c4cccc1c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 K24 compound treatment -1.534 -1.19 -1.18 -0.868 -0.51 -0.47 -0.752 -0.49891756097561 -0.625511746779168 -1.3164 -0.9281 1100080 SMP2_000241 OCC1OC(C(O)C1O)n2cccnc2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L01 mock treatment -1.236 -0.891 -0.89 -0.304 0.0536 0.05 -0.745 -0.49191756097561 -0.616735582999941 -0.8388 -0.7763 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L02 mock treatment 0.129 0.474 0.47 -0.535 -0.177 -0.16 -0.187 0.06608243902439 0.082850043972685 0.2251 0.4449 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L03 compound treatment 2.186 2.53 1.61 1.221 1.58 1.32 2.33 2.58308243902439 1.99140592193476 2.8447 0.9864 155 SMP2_000242 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L04 compound treatment -0.91 -0.565 -0.56 -0.844 -0.486 -0.45 -0.255 -0.00191756097561002 -0.0024041184540867 -0.5857 -0.8135 410 SMP2_000243 CC(=N)NCc1cccc(CN)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L05 compound treatment 3.582 3.93 1.77 2.089 2.45 1.5 1.755 2.00808243902439 1.8539394841247 2.9579 0.996 1000029 SMP2_000244 CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C4CCC(=O)N4)C(C)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L06 compound treatment -0.927 -0.582 -0.58 -0.49 -0.132 -0.12 -0.603 -0.34991756097561 -0.438704832049918 -0.6581 -0.8937 3199703 SMP2_000245 CCC1OC2(C[C@@H]3CC(C/C=C(/C)\C(O[C@@H]4C[C@@H](C)C(O[C@H]5C[C@H](OC)C(O)[C@H](C)O5)[C@H](C4)OC)C(C)\C=C/C=C\6/COC7C6[C@@H](C=C(C)[C@H]7O)C(=O)O3)O2)C=CC1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L07 compound treatment -0.113 0.232 0.23 -0.722 -0.364 -0.34 -0.543 -0.28991756097561 -0.36348057108512 -0.2715 -0.4963 3076615 SMP2_000246 COC1/C=C\C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L08 compound treatment -0.391 -0.0459 -0.05 0.121 0.479 0.44 -0.231 0.02208243902439 0.0276855859318327 0.2455 0.5499 3199793 SMP2_000247 CCN1C[C@]2(COC)CCC(OC)[C@]3(C4C[C@@]5(O)[C@H](OC(=O)c6ccc(OC)cc6)C4[C@](C[C@H]5OC)(OC(=O)C)[C@H]7[C@H](OC)C32)[C@@H]71 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L09 compound treatment -1.505 -1.16 -1.15 -0.928 -0.57 -0.53 -0.823 -0.56991756097561 -0.714527122254179 -1.3832 -0.9502 1983 SMP2_000248 CC(C)c1cc2C3CC4C(C)(C)CCCC4(C(=O)O3)c2c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L10 compound treatment -1.387 -1.04 -1.04 -1.111 -0.753 -0.7 -1.161 -0.90791756097561 -1.13829045902254 -1.658 -0.9812 3199794 SMP2_000249 C[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@]45O[C@@H]5[C@H](OC(=O)C)[C@@H](C14)c6ccc(=O)oc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L11 compound treatment -1.514 -1.17 -1.16 -0.474 -0.116 -0.11 -0.497 -0.24391756097561 -0.305808637678774 -0.9097 -0.754 3199795 SMP2_000250 CC1C2C(Cc3ccccc3)NC(=O)C24C(/C=C\CC(C)CC(C)(O)/C=C\C4O)C(O)C1=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L12 compound treatment -1.353 -1.01 -1.0 -0.853 -0.495 -0.46 -0.564 -0.31091756097561 -0.389809062422799 -1.0684 -0.914 964 SMP2_000251 CN(C)N=Nc1[nH]cnc1C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L13 compound treatment 1.719 2.06 1.53 0.599 0.957 0.89 -0.002 0.25108243902439 0.314791515280814 1.5766 0.8779 3076672 SMP2_000252 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L14 compound treatment -1.547 -1.2 -1.19 -0.848 -0.49 -0.45 -0.687 -0.43391756097561 -0.544018797400636 -1.2661 -0.9114 1001931 SMP2_000253 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L15 compound treatment -0.113 0.232 0.23 0.169 0.527 0.49 0.166 0.41908243902439 0.52541944598225 0.7181 0.9536 831956 SMP2_000254 COc1c(O)ccc2c1cc([N+](=O)[O-])c3c(cc4OCOc4c23)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L16 compound treatment -1.462 -1.12 -1.11 -0.863 -0.505 -0.47 -0.659 -0.40591756097561 -0.50891414228373 -1.2051 -0.9213 604 SMP2_000255 Oc1c(Br)cc(/C=C\2/C3C=C(I)C=CC3NC2=O)cc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L17 compound treatment -0.26 0.0851 0.08 -0.486 -0.128 -0.12 -0.345 -0.09191756097561 -0.115240509901284 -0.0863 -0.4644 3199797 SMP2_000256 C[C@@]1([C@H]2[C@H](C(=O)O)[C@]3(CC4CC[C@H]3[C@@]52CC[C@@H]1O)CC4=C)C(=O)O5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L18 compound treatment -1.553 -1.21 -1.2 -0.923 -0.565 -0.52 -0.826 -0.57291756097561 -0.718288335302419 -1.4103 -0.9439 604 SMP2_000257 Oc1c(Br)cc(/C=C\2/C3C=C(I)C=CC3NC2=O)cc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L19 compound treatment -0.077 0.268 0.27 0.158 0.516 0.48 0.139 0.39208243902439 0.49156852854809 0.7133 0.9702 97 SMP2_000258 CCCCC/C=C\C[C@@H]1O[C@H]1\C=C\C(O)C/C=C\CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L20 compound treatment -1.662 -1.32 -1.31 -0.804 -0.446 -0.41 -0.736 -0.48291756097561 -0.605451943855222 -1.3441 -0.8958 3199798 SMP2_000259 CC1CC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L21 compound treatment -1.229 -0.884 -0.88 -0.418 -0.0604 -0.06 -0.353 -0.09991756097561 -0.125270411363258 -0.612 -0.6881 2108 SMP2_000260 COc1cc2C/C(=C\c3cc(C)c(O)c(C)c3)/C(=O)c2c(N)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L22 compound treatment -0.923 -0.578 -0.57 -1.143 -0.785 -0.73 -0.926 -0.67291756097561 -0.843662103577084 -1.2387 -0.9883 440 SMP2_000261 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L23 compound treatment -0.396 -0.0509 -0.05 -0.386 -0.0284 -0.03 -0.334 -0.08091756097561 -0.101449395391071 -0.103 -0.8848 1201 SMP2_000262 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 L24 compound treatment 0.575 0.92 0.91 0.656 1.01 0.94 0.254 0.50708243902439 0.635748362063954 1.437 0.9866 648 SMP2_000263 Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M01 mock treatment -0.587 -0.242 -0.24 -1.494 -1.14 -1.05 -0.946 -0.69291756097561 -0.868736857232016 -1.2479 -0.9007 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M02 mock treatment -0.595 -0.25 -0.25 -0.762 -0.404 -0.37 -0.518 -0.26491756097561 -0.332137129016454 -0.5514 -0.9868 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M03 compound treatment 2.864 3.21 1.7 5.66 6.02 1.77 2.819 3.07208243902439 2.07939412142139 3.2083 0.9961 549 SMP2_000264 Nc1ncnc2nc(cc(c3cccc(Br)c3)c12)c4ccc(nc4)N5CCOCC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M04 compound treatment -0.673 -0.328 -0.33 -1.238 -0.88 -0.82 -1.562 -1.30891756097561 -1.64103926980395 -1.6063 -0.8631 1092656 SMP2_000265 CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M05 compound treatment -0.073 0.272 0.27 -0.626 -0.268 -0.25 -0.093 0.16008243902439 0.200701386150869 0.1286 0.3071 1000067 SMP2_000266 NC(C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M06 compound treatment -0.719 -0.374 -0.37 -0.489 -0.131 -0.12 -0.562 -0.30891756097561 -0.387301587057306 -0.5085 -0.9237 535 SMP2_000267 ONC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M07 compound treatment -0.867 -0.522 -0.52 -0.55 -0.192 -0.18 -0.498 -0.24491756097561 -0.307062375361521 -0.5797 -0.9221 3177114 SMP2_000268 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M08 compound treatment -0.65 -0.305 -0.3 -0.778 -0.42 -0.39 -0.427 -0.17391756097561 -0.218046999886509 -0.5257 -0.9745 241 SMP2_000269 CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NCC(N)CS 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M09 compound treatment -1.141 -0.796 -0.79 -1.837 -1.48 -1.37 -0.633 -0.37991756097561 -0.476316962532317 -1.5227 -0.9217 3076808 SMP2_000270 CC1(C)[C@H]2C[C@@H]1C(=C)[C@H](O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M10 compound treatment -1.592 -1.25 -1.24 -1.62 -1.26 -1.17 -1.237 -0.98391756097561 -1.23357452291129 -2.1028 -0.9997 220 SMP2_000271 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M11 compound treatment 2.471 2.82 1.66 3.223 3.58 1.63 0.701 0.95408243902439 1.1961691062517 2.5855 0.9902 1579 SMP2_000272 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M12 compound treatment 3.894 4.24 1.8 8.602 8.96 1.87 1.887 2.14008243902439 1.88972493542484 3.2063 0.9998 284 SMP2_000273 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3cc(O)ccc3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M13 compound treatment -0.073 0.272 0.27 -0.764 -0.406 -0.38 -0.49 -0.23691756097561 -0.297032473899548 -0.2326 -0.4225 3076815 SMP2_000274 CC(O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M14 compound treatment -0.334 0.0111 0.01 -0.708 -0.35 -0.32 -0.384 -0.13091756097561 -0.164136279528404 -0.2757 -0.758 1102317 SMP2_000275 COc1ccc(cc1)C23Oc4cc(OC)cc(OC)c4C3(O)C(O)C(C2c5ccccc5)C(=O)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M15 compound treatment 0.069 0.414 0.41 0.281 0.639 0.59 -0.43 -0.17691756097561 -0.221808212934749 0.451 0.5983 1907751 SMP2_000276 CN/C(=N\c1ccc(cc1)C2=NNC(=O)CC2C)/NC#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M16 compound treatment -0.608 -0.263 -0.26 -0.506 -0.148 -0.14 -0.99 -0.73691756097561 -0.923901315272869 -0.7637 -0.7873 536 SMP2_000277 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M17 compound treatment -0.159 0.186 0.18 1.244 1.6 1.33 0.779 1.03208243902439 1.29396064550594 1.6207 0.8697 3076873 SMP2_000278 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M18 compound treatment -0.474 -0.129 -0.13 -0.391 -0.0334 -0.03 -0.519 -0.26591756097561 -0.3333908666992 -0.2843 -0.7931 536 SMP2_000279 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M19 compound treatment -0.634 -0.289 -0.29 0.036 0.394 0.36 -0.053 0.20008243902439 0.250850893460735 0.1894 0.3591 3199800 SMP2_000280 CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M20 compound treatment -0.993 -0.648 -0.64 -0.753 -0.395 -0.37 -0.428 -0.17491756097561 -0.219300737569256 -0.7099 -0.9187 3199801 SMP2_000281 CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)C1O[C@]2(CC[C@@H](C)C(CC[C@H](C)C(=O)C)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C3=C(C)C(=O)OC3=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M21 compound treatment 2.311 2.66 1.63 3.534 3.89 1.65 1.61 1.86308243902439 1.81097676760808 2.9425 0.9989 257 SMP2_000282 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M22 compound treatment 2.124 2.47 1.6 2.604 2.96 1.56 2.113 2.36608243902439 1.94476044948036 2.9519 0.995 3076883 SMP2_000283 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M23 compound treatment 0.124 0.469 0.47 0.585 0.943 0.87 0.505 0.75808243902439 0.950436520433361 1.3219 0.9634 2059 SMP2_000284 CC(C)CC(N)C(O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 M24 compound treatment -0.887 -0.542 -0.54 -0.502 -0.144 -0.13 -0.07 0.18308243902439 0.229537352854042 -0.2557 -0.4257 2350 SMP2_000285 Cc1c(C)c2OC(C)(CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)CCc2c(C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N01 mock treatment -0.569 -0.224 -0.22 -1.307 -0.949 -0.88 -0.921 -0.66791756097561 -0.837393415163351 -1.1195 -0.907 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N02 mock treatment -0.608 -0.263 -0.26 -0.855 -0.497 -0.46 -0.609 -0.35591756097561 -0.446227258146398 -0.6745 -0.9739 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N03 compound treatment -0.547 -0.202 -0.2 -1.271 -0.913 -0.85 -0.38 -0.12691756097561 -0.159121328797417 -0.6961 -0.7877 3076955 SMP2_000286 CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)CC23C(=O)O[C@@H]4OC(=O)[C@H](O)C413 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N04 compound treatment -0.233 0.112 0.11 0.277 0.635 0.59 -0.002 0.25108243902439 0.314791515280814 0.5853 0.866 907302 SMP2_000287 CN1CC[C@]2(C)C1N(C)c3ccc(O)cc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N05 compound treatment -0.699 -0.354 -0.35 -1.012 -0.654 -0.61 -0.137 0.11608243902439 0.145536928110017 -0.469 -0.6553 3199802 SMP2_000288 CSC(=S)NCc1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N06 compound treatment 0.192 0.537 0.53 -0.489 -0.131 -0.12 -0.538 -0.28491756097561 -0.357211882671386 0.0318 0.0486 398 SMP2_000289 OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N07 compound treatment -0.644 -0.299 -0.3 -0.858 -0.5 -0.46 -0.441 -0.18791756097561 -0.235599327444962 -0.5751 -0.9605 1975 SMP2_000290 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1c5ccc(=O)oc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N08 compound treatment -0.614 -0.269 -0.27 -0.883 -0.525 -0.49 -0.654 -0.40091756097561 -0.502645453869997 -0.7254 -0.9687 1026746 SMP2_000291 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N09 compound treatment -1.054 -0.709 -0.7 -1.414 -1.06 -0.98 -0.886 -0.63291756097561 -0.793512596267218 -1.4298 -0.9906 810 SMP2_000292 CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N10 compound treatment -2.408 -2.06 -2.05 -2.106 -1.75 -1.62 -0.957 -0.70391756097561 -0.88252797174223 -2.6283 -0.953 3176068 SMP2_000293 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N11 compound treatment 0.638 0.983 0.98 0.574 0.932 0.86 0.361 0.61408243902439 0.769898294117845 1.5068 0.9953 2018 SMP2_000294 NC1=NC(=O)/C(=C/2\CCNC(=O)c3[nH]ccc23)/N1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N12 compound treatment -1.272 -0.927 -0.92 -0.656 -0.298 -0.28 -0.179 0.07408243902439 0.0928799454346581 -0.6379 -0.66 1090 SMP2_000295 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N13 compound treatment 1.498 1.84 1.48 1.699 2.06 1.43 1.193 1.44608243902439 1.65980136788876 2.6391 0.9979 3199804 SMP2_000296 CC(C)CC(NC(=O)C(Cc1ccc(OP(O)(O)O)cc1)NC(=O)C2CCCN2C(=O)C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N14 compound treatment -0.287 0.0581 0.06 -0.984 -0.626 -0.58 -0.643 -0.38991756097561 -0.488854339359784 -0.5838 -0.7674 1000674 SMP2_000297 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N15 compound treatment -0.192 0.153 0.15 -0.452 -0.0944 -0.09 -0.189 0.06408243902439 0.0803425686071917 0.0838 0.4341 1084811 SMP2_000298 Cc1c2[nH]c3ccc(O)cc3c2c(C)c4cnccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N16 compound treatment 0.535 0.88 0.87 -0.16 0.198 0.18 -0.062 0.19108243902439 0.239567254316015 0.7491 0.8095 3077040 SMP2_000299 CC(C)[C@H]1CN2CCC[C@H]2[C@@]3(O)O[C@](CC(=O)[C@H]4CN(C)[C@@H]5Cc6c[nH]c7cccc(C5=C4)c67)(C(C)C)C(=O)N13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N17 compound treatment -0.05 0.295 0.29 0.375 0.733 0.68 0.293 0.54608243902439 0.684644131691073 0.9563 0.9492 1108916 SMP2_000300 NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N18 compound treatment -0.085 0.26 0.26 0.207 0.565 0.52 0.299 0.55208243902439 0.692166557787553 0.8507 0.9399 3177114 SMP2_000301 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N19 compound treatment -0.844 -0.499 -0.5 -0.929 -0.571 -0.53 -0.551 -0.29791756097561 -0.373510472547093 -0.8075 -0.9899 3076041 SMP2_000302 COc1cc(/C=C/c2cccc[n+]2C)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N20 compound treatment -1.089 -0.744 -0.74 -0.755 -0.397 -0.37 -0.732 -0.47891756097561 -0.600436993124235 -0.9861 -0.9656 1734 SMP2_000303 Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N21 compound treatment -1.413 -1.07 -1.06 -1.696 -1.34 -1.24 -1.511 -1.25791756097561 -1.57709864798387 -2.239 -0.9866 3076048 SMP2_000304 OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N22 compound treatment -1.16 -0.815 -0.81 -1.275 -0.917 -0.85 -0.434 -0.18091756097561 -0.226823163665736 -1.0891 -0.911 1000089 SMP2_000305 COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N23 compound treatment -0.345 6.6E-5 0.0 0.212 0.57 0.53 -0.071 0.18208243902439 0.228283615171295 0.4363 0.7592 628 SMP2_000306 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 N24 compound treatment -1.307 -0.962 -0.96 -0.914 -0.556 -0.52 -0.382 -0.12891756097561 -0.16162880416291 -0.9429 -0.8586 1273 SMP2_000307 C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O01 mock treatment -0.667 -0.322 -0.32 -0.667 -0.309 -0.29 -0.339 -0.08591756097561 -0.107718083804805 -0.4124 -0.9312 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O02 mock treatment -0.378 -0.0329 -0.03 -0.598 -0.24 -0.22 -0.22 0.03308243902439 0.0414767004420458 -0.1235 -0.5397 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O03 compound treatment -0.21 0.135 0.13 -0.453 -0.0954 -0.09 -0.137 0.11608243902439 0.145536928110017 0.1106 0.5099 1059696 SMP2_000308 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O04 compound treatment -0.498 -0.153 -0.15 -0.113 0.245 0.23 -0.492 -0.23891756097561 -0.299539949265041 -0.13 -0.3208 988 SMP2_000309 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O05 compound treatment 0.456 0.801 0.8 -0.45 -0.0924 -0.09 -0.553 -0.29991756097561 -0.376017947912586 0.1933 0.2185 413 SMP2_000310 CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O06 compound treatment -0.529 -0.184 -0.18 -1.371 -1.01 -0.94 -0.843 -0.58991756097561 -0.739601875909112 -1.0743 -0.8888 3199805 SMP2_000311 NC(=O)OC[C@H]1[C@@H]2NC(=N)N[C@]23N(CCC3(O)O)C(=N)N1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O07 compound treatment -0.592 -0.247 -0.25 -0.367 -0.00939 -0.01 -0.54 -0.28691756097561 -0.35971935803688 -0.3544 -0.8137 2081802 SMP2_000312 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O08 compound treatment -0.759 -0.414 -0.41 -0.848 -0.49 -0.45 0.251 0.50408243902439 0.631987149015714 -0.1349 -0.1532 1080649 SMP2_000313 CC1(CC2(O)OC3O1)C4(CC2C34COC(=O)c5ccccc5)OC6OC(CO)C(O)C(O)C6O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O09 compound treatment -1.112 -0.767 -0.76 -0.316 0.0416 0.04 -0.53 -0.27691756097561 -0.347181981209413 -0.6184 -0.7374 3076119 SMP2_000314 CNc1ccc2ccccc2c1N=Nc3ccc(N=Nc4ccccc4)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O10 compound treatment -1.003 -0.658 -0.65 -0.57 -0.212 -0.2 -0.45 -0.19691756097561 -0.246882966589682 -0.6337 -0.8726 1072985 SMP2_000315 CC1C(O)C2(O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O11 compound treatment -1.625 -1.28 -1.27 -0.858 -0.5 -0.46 -0.818 -0.56491756097561 -0.708258433840446 -1.4111 -0.9233 3076122 SMP2_000316 CC(=C[C@H](C=C)C(C)(C)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O12 compound treatment -1.618 -1.27 -1.27 -0.984 -0.626 -0.58 -1.151 -0.89791756097561 -1.12575308219508 -1.7155 -0.9582 3001166 SMP2_000317 C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(\C)/CC/C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O13 compound treatment -1.308 -0.963 -0.96 0.053 0.411 0.38 -0.252 0.00108243902438998 0.00135709459415323 -0.3324 -0.3227 189 SMP2_000318 CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O14 compound treatment -0.171 0.174 0.17 -0.511 -0.153 -0.14 -0.091 0.16208243902439 0.203208861516363 0.1352 0.4473 3199895 SMP2_000319 CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(N)CCCCN)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O15 compound treatment -0.548 -0.203 -0.2 -0.694 -0.336 -0.31 -0.314 -0.06091756097561 -0.0763746417361386 -0.3404 -0.8984 2305 SMP2_000320 COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O16 compound treatment -0.433 -0.0879 -0.09 -0.403 -0.0454 -0.04 -0.455 -0.20191756097561 -0.253151655003415 -0.2209 -0.8148 3076126 SMP2_000321 Nc1ncnc2n([C@@H]3OC4COP(O)(S)O[C@@H]4C3O)c(nc12)N5CCCCC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O17 compound treatment -0.248 0.0971 0.1 -0.642 -0.284 -0.26 -0.18 0.07308243902439 0.0916262077519115 -0.0434 -0.1472 2080871 SMP2_000322 CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O18 compound treatment -1.062 -0.717 -0.71 -1.255 -0.897 -0.83 -0.902 -0.64891756097561 -0.813572399191164 -1.361 -0.9978 3076175 SMP2_000323 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O19 compound treatment -1.961 -1.62 -1.61 -1.149 -0.791 -0.73 -2.099 -1.84591756097561 -2.3142964054389 -2.6868 -0.923 3199896 SMP2_000324 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O20 compound treatment -0.808 -0.463 -0.46 -1.051 -0.693 -0.64 -0.321 -0.06791756097561 -0.0851508055153651 -0.6856 -0.8628 3076177 SMP2_000325 COc1cc(ccc1O)c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OS(=O)(=O)O)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O21 compound treatment -0.707 -0.362 -0.36 -0.276 0.0816 0.08 -0.617 -0.36391756097561 -0.456257159608371 -0.4275 -0.7296 2119025 SMP2_000326 Nc1nc(S)c2nc[nH]c2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O22 compound treatment -1.107 -0.762 -0.76 -0.513 -0.155 -0.14 -0.584 -0.33091756097561 -0.414883816077732 -0.7599 -0.8679 2081802 SMP2_000327 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O23 compound treatment 10.091 10.4 2.03 7.157 7.51 1.83 4.891 5.14408243902439 2.30741302058851 3.5618 0.9955 316 SMP2_000328 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 O24 compound treatment 0.654 0.999 0.99 0.606 0.964 0.89 0.507 0.76008243902439 0.952943995798855 1.6388 0.999 1004963 SMP2_000329 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P01 mock treatment -0.024 0.321 0.32 -0.05 0.308 0.28 0.12 0.37308243902439 0.467747512575904 0.6188 0.9762 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P02 mock treatment -0.791 -0.446 -0.44 -1.02 -0.662 -0.61 -0.778 -0.52491756097561 -0.658108926530581 -0.99 -0.9872 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P03 compound treatment -0.568 -0.223 -0.22 0.31 0.668 0.62 0.174 0.42708243902439 0.535449347444223 0.5381 0.635 3199897 SMP2_000330 CS[C@]12CC3=CC=CC(O)[C@H]3N2C(=O)[C@@](CO)(SC)N(C)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P04 compound treatment -0.985 -0.64 -0.64 -0.635 -0.277 -0.26 -1.197 -0.94391756097561 -1.18342501560142 -1.1989 -0.8764 2060488 SMP2_000331 CC(=CCC[C@@](C)(O)C=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P05 compound treatment -1.027 -0.682 -0.68 -0.54 -0.182 -0.17 0.162 0.41508243902439 0.520404495251263 -0.1885 -0.2163 1968 SMP2_000332 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)[C@@H](O)C[C@@H](CC(=C)C=O)OC%11CC%10OC9C=CC[C@]8(C)OC7CC6OC15 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P06 compound treatment -1.259 -0.914 -0.91 -0.831 -0.473 -0.44 -0.745 -0.49191756097561 -0.616735582999941 -1.1337 -0.9588 1000053 SMP2_000333 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P07 compound treatment 2.468 2.81 1.65 2.045 2.4 1.49 2.064 2.31708243902439 1.93343270982486 2.9315 0.9942 1977 SMP2_000334 CC12CCc3occc3[C@H]2CCC4(CC5CC[C@H]41)C[C@]5(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P08 compound treatment 0.015 0.36 0.36 0.126 0.484 0.45 -0.01 0.24308243902439 0.304761613818841 0.6412 0.9875 1693 SMP2_000335 NCCCNCCSP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P09 compound treatment -0.081 0.264 0.26 -0.106 0.252 0.23 -0.201 0.05208243902439 0.065297716414232 0.3238 0.9069 3199899 SMP2_000336 CC[C@@H]1[C@H](O)[C@@H](C)C/C(=C\C=C/C(=C(\OC(=O)\C(=C/C(=C\[C@H](C)C1O)/C)\OC)/[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)/C=C/C)/OC)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P10 compound treatment 0.566 0.911 0.91 1.092 1.45 1.29 1.206 1.45908243902439 1.66527840018557 2.2266 0.9721 446 SMP2_000337 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P11 compound treatment -0.154 0.191 0.19 -0.41 -0.0524 -0.05 -0.225 0.02808243902439 0.0352080120283126 0.102 0.512 360 SMP2_000338 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P12 compound treatment -1.115 -0.77 -0.77 -0.748 -0.39 -0.36 -0.609 -0.35591756097561 -0.446227258146398 -0.9083 -0.9492 3068886 SMP2_000339 CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P13 compound treatment -0.178 0.167 0.17 -0.29 0.0676 0.06 -0.127 0.12608243902439 0.158074304937484 0.2233 0.9395 1817 SMP2_000340 CC(=O)O[C@@]12CO[C@H]2C[C@@H](O)[C@@]3(C)[C@H]1[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@H](O)C3=O)C5(C)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P14 compound treatment -0.745 -0.4 -0.4 -1.081 -0.723 -0.67 -0.554 -0.30091756097561 -0.377271685595333 -0.8341 -0.9637 3076236 SMP2_000341 COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P15 compound treatment -0.56 -0.215 -0.21 -0.415 -0.0574 -0.05 -0.458 -0.20491756097561 -0.256912868051655 -0.3024 -0.8937 832320 SMP2_000342 CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C)C(=O)N[C@@H](C(=O)C)C(=O)N[C@@H](CC(C)C)[C@@]1(O)O[C@H](C)[C@H](N[C@@]1(C)CO)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P16 compound treatment -0.761 -0.416 -0.41 -0.342 0.0156 0.01 -0.121 0.13208243902439 0.165596731033963 -0.1348 -0.3024 2069 SMP2_000343 CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P17 compound treatment -0.455 -0.11 -0.11 -0.477 -0.119 -0.11 0.13 0.38308243902439 0.480284889403371 0.1504 0.2979 3199902 SMP2_000344 CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(N)CO)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NC(Cc4ccccc4)C(=O)NCC(=O)NC(Cc5ccccc5)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P18 compound treatment -0.809 -0.464 -0.46 -0.29 0.0676 0.06 -0.106 0.14708243902439 0.184402796275163 -0.1237 -0.247 2100 SMP2_000345 COC(=O)CC(O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P19 compound treatment -0.512 -0.167 -0.17 -0.065 0.293 0.27 -0.426 -0.17291756097561 -0.216793262203763 -0.0646 -0.1678 613 SMP2_000346 Oc1cc(/C=C/c2ccc(O)c(O)c2)oc(=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P20 compound treatment -0.744 -0.399 -0.4 -0.695 -0.337 -0.31 -0.372 -0.11891756097561 -0.149091427335444 -0.4954 -0.9411 3076242 SMP2_000347 CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]4CC[C@@](C)([C@@H](OC5OC(CO)C(O)C(O)C5O)c6ccoc6)[C@@]7(O[C@@H]7C(=O)O)[C@]4(C)C(=O)C[C@]13C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P21 compound treatment -0.881 -0.536 -0.53 -0.392 -0.0344 -0.03 -0.493 -0.23991756097561 -0.300793686947788 -0.4997 -0.8155 3199903 SMP2_000348 C/C=C(/C)\C(=O)O[C@H]1C(=C[C@]2([C@H](C)C[C@H]3[C@@H](C3(C)C)[C@]4(C)C=C(CO)[C@@H](O)[C@@]12O)C4=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P22 compound treatment -1.55 -1.2 -1.2 -0.631 -0.273 -0.25 -0.681 -0.42791756097561 -0.536496371304156 -1.1475 -0.8584 1048361 SMP2_000349 c1ccc2c(c1)[nH]c3cnccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P23 compound treatment -0.515 -0.17 -0.17 -0.397 -0.0394 -0.04 -0.348 -0.09491756097561 -0.119001722949524 -0.1873 -0.8926 832145 SMP2_000350 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2099 P24 compound treatment 1.429 1.77 1.46 2.138 2.5 1.5 1.689 1.94208243902439 1.83489112021711 2.7729 0.9947 2260 SMP2_000351 Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c65)c78 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A01 compound treatment -0.401 -0.0559 -0.06 -1.054 -0.696 -0.64 -0.611 -0.35791756097561 -0.448734733511891 -0.6635 -0.8424 3213058 Ald1-H_000001 NNC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A02 compound treatment -1.163 -0.818 -0.81 -2.22 -1.86 -1.72 -1.725 -1.47191756097561 -1.84539851209165 -2.5305 -0.9537 3213059 Ald1-H_000002 NNC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A03 compound treatment 0.388 0.733 0.73 0.811 1.17 1.08 -0.51 -0.25691756097561 -0.32210722755448 0.8595 0.6396 3213060 Ald1-H_000003 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A04 compound treatment -0.608 -0.263 -0.26 -0.986 -0.628 -0.58 -1.251 -0.99791756097561 -1.25112685046974 -1.2092 -0.861 3213062 Ald1-H_000004 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A05 compound treatment -0.366 -0.0209 -0.02 -0.103 0.255 0.24 -1.371 -1.11791756097561 -1.40157537239934 -0.6851 -0.482 3213064 Ald1-H_000005 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A06 compound treatment -0.664 -0.319 -0.32 -0.802 -0.444 -0.41 -0.832 -0.57891756097561 -0.725810761398899 -0.8397 -0.9408 3213066 Ald1-H_000006 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A07 compound treatment -2.314 -1.97 -1.96 -1.138 -0.78 -0.72 -0.816 -0.56291756097561 -0.705750958474953 -1.9548 -0.8875 3213068 Ald1-H_000007 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A08 compound treatment -0.94 -0.595 -0.59 -0.863 -0.505 -0.47 0.057 0.31008243902439 0.388762038562866 -0.3872 -0.4563 3213070 Ald1-H_000008 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A09 compound treatment -1.028 -0.683 -0.68 -1.829 -1.47 -1.36 -1.024 -0.77091756097561 -0.966528396486255 -1.7366 -0.9631 3213072 Ald1-H_000009 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A10 compound treatment -0.322 0.0231 0.02 -0.175 0.183 0.17 -0.462 -0.20891756097561 -0.261927818782642 -0.0404 -0.1291 3213074 Ald1-H_000010 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3OCCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A11 compound treatment -1.523 -1.18 -1.17 -3.386 -3.03 -2.8 -1.347 -1.09391756097561 -1.37148566801342 -3.0869 -0.9259 3213076 Ald1-H_000011 ONC(=O)CCCCCCC(=O)N/N=C/COCc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A12 compound treatment -1.726 -1.38 -1.37 -3.222 -2.86 -2.65 -1.299 -1.04591756097561 -1.31130625924158 -3.081 -0.9446 3213078 Ald1-H_000012 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/COCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A13 mock treatment -0.126 0.219 0.22 -1.16 -0.802 -0.74 -0.559 -0.30591756097561 -0.383540374009066 -0.5247 -0.6072 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A14 mock treatment -0.464 -0.119 -0.12 -1.401 -1.04 -0.97 -0.628 -0.37491756097561 -0.470048274118584 -0.8974 -0.8303 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A15 compound treatment 0.363 0.708 0.7 -0.32 0.0376 0.03 -0.854 -0.60091756097561 -0.753392990419325 -0.0084 -0.0082 3213080 Ald1-H_000013 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A16 compound treatment -0.786 -0.441 -0.44 -0.775 -0.417 -0.39 -1.56 -1.30691756097561 -1.63853179443846 -1.4222 -0.8175 3213082 Ald1-H_000014 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A17 compound treatment -0.56 -0.215 -0.21 -1.124 -0.766 -0.71 -2.187 -1.93391756097561 -2.4246253215206 -1.9329 -0.7624 3213084 Ald1-H_000015 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A18 compound treatment -0.175 0.17 0.17 -0.767 -0.409 -0.38 -0.511 -0.25791756097561 -0.323360965237227 -0.3079 -0.5853 3213086 Ald1-H_000016 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A19 compound treatment -1.84 -1.49 -1.49 -0.89 -0.532 -0.49 -0.669 -0.41591756097561 -0.521451519111197 -1.4437 -0.8748 3213088 Ald1-H_000017 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(Br)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A20 compound treatment -0.892 -0.547 -0.54 -0.696 -0.338 -0.31 -0.443 -0.18991756097561 -0.238106802810455 -0.6323 -0.942 3213090 Ald1-H_000018 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccc(Br)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A21 compound treatment -1.597 -1.25 -1.24 -2.182 -1.82 -1.69 -1.401 -1.14791756097561 -1.43918750288174 -2.5248 -0.9923 3213092 Ald1-H_000019 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A22 compound treatment -0.455 -0.11 -0.11 -0.475 -0.117 -0.11 -0.305 -0.05191756097561 -0.0650910025914188 -0.1634 -0.9768 3213094 Ald1-H_000020 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Br)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A23 compound treatment -1.261 -0.916 -0.91 -2.275 -1.92 -1.78 -0.923 -0.66991756097561 -0.839900890528844 -2.0357 -0.9403 3213096 Ald1-H_000021 ONC(=O)CCCCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 A24 compound treatment -0.705 -0.36 -0.36 -0.784 -0.426 -0.39 -0.332 -0.07891756097561 -0.0989419200255782 -0.4917 -0.9072 3213098 Ald1-H_000022 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C(=C/c2ccccc2)/Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B01 compound treatment -0.762 -0.417 -0.41 -1.213 -0.855 -0.79 -0.921 -0.66791756097561 -0.837393415163351 -1.1801 -0.9634 3213100 Ald1-H_000023 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2c(O)ccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B02 compound treatment -0.572 -0.227 -0.23 -1.668 -1.31 -1.21 -0.901 -0.64791756097561 -0.812318661508418 -1.2998 -0.8797 3213102 Ald1-H_000024 ONC(=O)CCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B03 compound treatment -0.512 -0.167 -0.17 -0.913 -0.555 -0.51 -0.93 -0.67691756097561 -0.84867705430807 -0.8827 -0.8773 3213104 Ald1-H_000025 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(O)c3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B04 compound treatment -0.557 -0.212 -0.21 -0.801 -0.443 -0.41 -0.815 -0.56191756097561 -0.704497220792206 -0.7654 -0.9089 3213106 Ald1-H_000026 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B05 compound treatment -0.181 0.164 0.16 -0.565 -0.207 -0.19 -0.095 0.15808243902439 0.198193910785376 0.0977 0.3049 3213108 Ald1-H_000027 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B06 compound treatment -0.243 0.102 0.1 -0.037 0.321 0.3 -0.636 -0.38291756097561 -0.480078175580557 -0.0472 -0.0823 3213110 Ald1-H_000028 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B07 compound treatment -0.424 -0.0789 -0.08 -0.675 -0.317 -0.29 -0.499 -0.24591756097561 -0.308316113044267 -0.393 -0.9074 3213112 Ald1-H_000029 Oc1ccc([N+](=O)[O-])c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B08 compound treatment -0.813 -0.468 -0.47 -0.338 0.0196 0.02 -0.805 -0.55191756097561 -0.69195984396474 -0.6576 -0.7885 3213114 Ald1-H_000030 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B09 compound treatment -1.207 -0.862 -0.86 -1.676 -1.32 -1.22 -0.958 -0.70491756097561 -0.883781709424976 -1.7098 -0.9862 3213116 Ald1-H_000031 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)n3ccnc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B10 compound treatment -1.364 -1.02 -1.01 -1.301 -0.943 -0.87 -0.38 -0.12691756097561 -0.159121328797417 -1.1811 -0.8768 3213118 Ald1-H_000032 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B11 compound treatment -1.885 -1.54 -1.53 -1.087 -0.729 -0.68 -0.687 -0.43391756097561 -0.544018797400636 -1.5879 -0.9025 3213120 Ald1-H_000033 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2c[nH]c3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B12 compound treatment -0.862 -0.517 -0.51 -0.484 -0.126 -0.12 -0.253 8.24390243899797E-5 1.03356911406587E-4 -0.3642 -0.691 3213122 Ald1-H_000034 ONC(=O)CCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B13 mock treatment -0.7 -0.355 -0.35 -0.885 -0.527 -0.49 -0.307 -0.05391756097561 -0.0675984779569121 -0.5247 -0.8655 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B14 mock treatment -0.319 0.0261 0.03 -0.881 -0.523 -0.48 -0.475 -0.22191756097561 -0.278226408658348 -0.4255 -0.7606 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B15 compound treatment -0.832 -0.487 -0.48 -2.147 -1.79 -1.66 -1.029 -0.77591756097561 -0.972797084899988 -1.7977 -0.9073 3213124 Ald1-H_000035 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(I)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B16 compound treatment -0.993 -0.648 -0.64 -2.119 -1.76 -1.63 -2.392 -2.13891756097561 -2.68164154648366 -2.8618 -0.8932 3213126 Ald1-H_000036 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(I)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B17 compound treatment -0.373 -0.0279 -0.03 -1.696 -1.34 -1.24 -1.773 -1.51991756097561 -1.90557792086349 -1.8317 -0.8058 3213128 Ald1-H_000037 C/C=C(/C)\C=N\NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B18 compound treatment 0.423 0.768 0.76 0.979 1.34 1.24 0.856 1.10908243902439 1.39049844707743 1.9582 0.9732 3213130 Ald1-H_000038 C/C=C(/C)\C=N\NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B19 compound treatment -0.934 -0.589 -0.59 -2.058 -1.7 -1.57 -1.807 -1.55391756097561 -1.94820500207688 -2.3719 -0.922 3213132 Ald1-H_000039 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B20 compound treatment -1.344 -0.999 -0.99 -0.655 -0.297 -0.28 -0.67 -0.41691756097561 -0.522705256793943 -1.0341 -0.8949 3213134 Ald1-H_000040 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B21 compound treatment -0.923 -0.578 -0.57 -1.09 -0.732 -0.68 -0.553 -0.29991756097561 -0.376017947912586 -0.9404 -0.9744 3213136 Ald1-H_000041 Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B22 compound treatment 0.17 0.515 0.51 0.823 1.18 1.09 0.137 0.39008243902439 0.489061053182597 1.2091 0.9283 3213138 Ald1-H_000042 Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B23 compound treatment 0.498 0.843 0.84 1.624 1.98 1.42 0.285 0.53808243902439 0.6746142302291 1.6905 0.9509 3213140 Ald1-H_000043 Cc1[nH]cnc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 B24 compound treatment -0.452 -0.107 -0.11 -0.587 -0.229 -0.21 -0.1 0.15308243902439 0.191925222371643 -0.0732 -0.2397 3213142 Ald1-H_000044 Cc1[nH]cnc1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C01 compound treatment 4.344 4.69 1.83 2.056 2.41 1.49 0.818 1.07108243902439 1.34285641513306 2.6925 0.9915 3213144 Ald1-H_000045 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C02 compound treatment -0.4 -0.0549 -0.05 -1.485 -1.13 -1.04 -0.447 -0.19391756097561 -0.243121753541442 -0.7746 -0.7217 3213146 Ald1-H_000046 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Br)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C03 compound treatment -0.624 -0.279 -0.28 -0.821 -0.463 -0.43 -0.233 0.02008243902439 0.0251781105663394 -0.3933 -0.7689 3213148 Ald1-H_000047 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C04 compound treatment -1.104 -0.759 -0.75 -1.211 -0.853 -0.79 -1.118 -0.86491756097561 -1.08437973866444 -1.5179 -0.9861 3213150 Ald1-H_000048 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Br)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C05 compound treatment -0.469 -0.124 -0.12 -1.938 -1.58 -1.46 -0.204 0.04908243902439 0.0615365033659921 -0.8805 -0.599 3213152 Ald1-H_000049 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C06 compound treatment -0.968 -0.623 -0.62 -1.312 -0.954 -0.88 -1.124 -0.87091756097561 -1.09190216476092 -1.4982 -0.9759 3213154 Ald1-H_000050 Oc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C07 compound treatment -0.535 -0.19 -0.19 -0.629 -0.271 -0.25 -0.732 -0.47891756097561 -0.600436993124235 -0.6008 -0.8864 3213156 Ald1-H_000051 COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)NO)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C08 compound treatment -0.721 -0.376 -0.37 -0.795 -0.437 -0.4 -0.687 -0.43391756097561 -0.544018797400636 -0.7637 -0.9862 3213158 Ald1-H_000052 COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C09 compound treatment -1.204 -0.859 -0.85 -0.523 -0.165 -0.15 -0.664 -0.41091756097561 -0.515182830697463 -0.8789 -0.871 3213160 Ald1-H_000053 COc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C10 compound treatment -1.567 -1.22 -1.21 -0.944 -0.586 -0.54 -0.939 -0.68591756097561 -0.85996069345279 -1.5113 -0.9539 3213162 Ald1-H_000054 COc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C11 mock treatment 0.52 0.865 0.86 0.893 1.25 1.16 0.194 0.44708243902439 0.560524101099156 1.4887 0.962 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C12 mock treatment -0.846 -0.501 -0.5 -0.736 -0.378 -0.35 -0.551 -0.29791756097561 -0.373510472547093 -0.7055 -0.9876 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C13 compound treatment -0.123 0.222 0.22 -0.167 0.191 0.18 -0.55 -0.29691756097561 -0.372256734864346 0.0144 0.0309 3213164 Ald1-H_000055 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C14 compound treatment -0.769 -0.424 -0.42 -1.678 -1.32 -1.22 -1.044 -0.79091756097561 -0.991603150141187 -1.5217 -0.9338 3213166 Ald1-H_000056 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C15 mock treatment -0.478 -0.133 -0.13 -0.63 -0.272 -0.25 -0.121 0.13208243902439 0.165596731033963 -0.1263 -0.3835 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C16 mock treatment -0.803 -0.458 -0.46 -0.805 -0.447 -0.41 -0.573 -0.31991756097561 -0.401092701567519 -0.7336 -0.9985 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C17 compound treatment -0.551 -0.206 -0.2 -1.252 -0.894 -0.83 -0.205 0.04808243902439 0.0602827656832454 -0.5615 -0.6566 3213168 Ald1-H_000057 ONC(=O)CCCCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C18 compound treatment -0.958 -0.613 -0.61 -1.646 -1.29 -1.19 -1.176 -0.92291756097561 -1.15709652426374 -1.7086 -0.9653 3213170 Ald1-H_000058 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc3OCOc3cc2Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C19 compound treatment -0.795 -0.45 -0.45 -1.114 -0.756 -0.7 -1.093 -0.83991756097561 -1.05303629659577 -1.2706 -0.9472 3213172 Ald1-H_000059 ONC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C20 compound treatment -0.845 -0.5 -0.5 -1.088 -0.73 -0.68 -0.328 -0.07491756097561 -0.0939269692945916 -0.7316 -0.8663 3213174 Ald1-H_000060 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccnc2Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C21 compound treatment -0.319 0.0261 0.03 -0.604 -0.246 -0.23 -0.554 -0.30091756097561 -0.377271685595333 -0.3346 -0.7576 3213176 Ald1-H_000061 ONC(=O)CCCCCCC(=O)N/N=C/c1ccncc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C22 compound treatment -1.451 -1.11 -1.1 -0.811 -0.453 -0.42 -0.232 0.02108243902439 0.0264318482490861 -0.8619 -0.7322 3213178 Ald1-H_000062 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccncc2Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C23 compound treatment -1.629 -1.28 -1.28 -1.096 -0.738 -0.68 -1.032 -0.77891756097561 -0.976558297948228 -1.6955 -0.9708 3213180 Ald1-H_000063 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 C24 compound treatment -1.005 -0.66 -0.66 -0.984 -0.626 -0.58 -0.817 -0.56391756097561 -0.7070046961577 -1.1218 -0.9968 3213182 Ald1-H_000064 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)ccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D01 compound treatment -1.287 -0.942 -0.94 -1.197 -0.839 -0.78 -0.908 -0.65491756097561 -0.821094825287644 -1.4634 -0.9969 3213184 Ald1-H_000065 Cc1ccsc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D02 compound treatment -0.837 -0.492 -0.49 -1.265 -0.907 -0.84 -1.099 -0.84591756097561 -1.06055872269225 -1.3798 -0.959 3213186 Ald1-H_000066 Cc1ccsc1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D03 compound treatment 0.028 0.373 0.37 -0.049 0.309 0.29 -0.24 0.01308243902439 0.016401946787113 0.3886 0.8294 3213188 Ald1-H_000067 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D04 compound treatment -1.704 -1.36 -1.35 -0.896 -0.538 -0.5 -0.549 -0.29591756097561 -0.3710029971816 -1.282 -0.8621 3213190 Ald1-H_000068 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D05 compound treatment -1.42 -1.07 -1.07 -1.297 -0.939 -0.87 -0.239 0.01408243902439 0.0176556844698596 -1.109 -0.8048 3213192 Ald1-H_000069 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D06 compound treatment -2.317 -1.97 -1.96 -1.427 -1.07 -0.99 -1.4 -1.14691756097561 -1.43793376519899 -2.5337 -0.9652 3213194 Ald1-H_000070 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D07 compound treatment -1.736 -1.39 -1.38 -0.982 -0.624 -0.58 -1.155 -0.90191756097561 -1.13076803292606 -1.785 -0.9507 3213196 Ald1-H_000071 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(cc1OC)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D08 compound treatment -1.919 -1.57 -1.56 -0.852 -0.494 -0.46 -1.906 -1.65291756097561 -2.07232503266879 -2.3642 -0.8966 3213198 Ald1-H_000072 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c(cc1OC)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D09 compound treatment -1.935 -1.59 -1.58 -1.085 -0.727 -0.67 -0.905 -0.65191756097561 -0.817333612239404 -1.7733 -0.932 3213200 Ald1-H_000073 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3ccccc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D10 compound treatment -1.443 -1.1 -1.09 -0.872 -0.514 -0.48 -1.014 -0.76091756097561 -0.953991019658788 -1.456 -0.9542 3213202 Ald1-H_000074 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D11 mock treatment -1.349 -1.0 -1.0 -0.32 0.0376 0.03 -0.577 -0.32391756097561 -0.406107652298505 -0.7906 -0.7333 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D12 mock treatment 0.844 1.19 1.18 1.334 1.69 1.35 0.834 1.08708243902439 1.36291621805701 2.2494 0.998 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D13 compound treatment -0.61 -0.265 -0.26 -0.71 -0.352 -0.33 0.101 0.35408243902439 0.443926496603718 -0.0842 -0.1378 3213204 Ald1-H_000075 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(s2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D14 compound treatment -0.693 -0.348 -0.35 -1.083 -0.725 -0.67 -0.884 -0.63091756097561 -0.791005120901725 -1.0442 -0.9546 3213206 Ald1-H_000076 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D15 mock treatment -1.943 -1.6 -1.59 -2.341 -1.98 -1.84 -1.846 -1.59291756097561 -1.99710077170399 -3.1305 -0.9957 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D16 mock treatment -0.649 -0.304 -0.3 -0.588 -0.23 -0.21 -0.37 -0.11691756097561 -0.146583951969951 -0.3822 -0.9607 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D17 compound treatment -1.411 -1.07 -1.06 -1.36 -1.0 -0.93 -0.387 -0.13391756097561 -0.167897492576643 -1.2446 -0.8773 3213208 Ald1-H_000077 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D18 compound treatment -3.044 -2.7 -2.68 -2.002 -1.64 -1.52 -1.704 -1.45091756097561 -1.81907002075397 -3.4785 -0.9712 3213210 Ald1-H_000078 ONC(=O)CCCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D19 compound treatment -1.719 -1.37 -1.37 -1.407 -1.05 -0.97 -1.206 -0.95291756097561 -1.19470865474614 -2.0394 -0.9907 3213212 Ald1-H_000079 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/CCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D20 compound treatment 1.994 2.34 1.58 0.186 0.544 0.5 1.077 1.33008243902439 1.60822371231861 2.1325 0.9226 3213214 Ald1-H_000080 ONC(=O)CCCCCCC(=O)N/N=C/CCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D21 compound treatment -0.395 -0.0499 -0.05 -0.673 -0.315 -0.29 -0.833 -0.57991756097561 -0.727064499081646 -0.617 -0.7859 3213216 Ald1-H_000081 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D22 compound treatment 1.213 1.56 1.41 0.501 0.859 0.8 0.565 0.81808243902439 1.02566078139816 1.8628 0.9737 3213218 Ald1-H_000082 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D23 compound treatment -2.283 -1.94 -1.93 -0.867 -0.509 -0.47 -1.115 -0.86191756097561 -1.0806185256162 -2.0086 -0.8892 3213220 Ald1-H_000083 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 D24 compound treatment -2.365 -2.02 -2.01 -1.811 -1.45 -1.35 -1.802 -1.54891756097561 -1.94193631366314 -3.0576 -0.9861 3213222 Ald1-H_000084 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E01 mock treatment -0.517 -0.172 -0.17 -1.634 -1.28 -1.18 -0.834 -0.58091756097561 -0.728318236764393 -1.2015 -0.859 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E02 mock treatment -0.488 -0.143 -0.14 -1.362 -1.0 -0.93 -0.667 -0.41391756097561 -0.518944043745703 -0.9186 -0.855 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E03 compound treatment -0.756 -0.411 -0.41 -1.872 -1.51 -1.4 -1.055 -0.80191756097561 -1.0053942646514 -1.6259 -0.917 3213224 Ald1-H_000085 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E04 compound treatment -0.301 0.0441 0.04 -0.751 -0.393 -0.36 -0.942 -0.68891756097561 -0.86372190650103 -0.6837 -0.7286 3213226 Ald1-H_000086 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Br)s2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E05 compound treatment -0.496 -0.151 -0.15 -0.76 -0.402 -0.37 -1.043 -0.78991756097561 -0.990349412458441 -0.8735 -0.8174 3213228 Ald1-H_000087 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c(Br)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E06 compound treatment -0.168 0.177 0.18 -0.754 -0.396 -0.37 -0.625 -0.37191756097561 -0.466287061070344 -0.3795 -0.6131 3213230 Ald1-H_000088 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Br)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E07 compound treatment -1.826 -1.48 -1.47 -1.286 -0.928 -0.86 -1.027 -0.77391756097561 -0.970289609534494 -1.9065 -0.9719 3213232 Ald1-H_000089 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E08 compound treatment -0.443 -0.0979 -0.1 -0.535 -0.177 -0.16 -0.475 -0.22191756097561 -0.278226408658348 -0.3117 -0.9236 3213234 Ald1-H_000090 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E09 mock treatment -1.373 -1.03 -1.02 -1.148 -0.79 -0.73 -0.795 -0.54191756097561 -0.679422467137274 -1.4048 -0.9832 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E10 mock treatment -0.582 -0.237 -0.24 -0.467 -0.109 -0.1 -0.297 -0.04391756097561 -0.0550611011294457 -0.2263 -0.8628 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E11 compound treatment -1.098 -0.753 -0.75 -1.327 -0.969 -0.9 -0.438 -0.18491756097561 -0.231838114396722 -1.0843 -0.91 3213236 Ald1-H_000091 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E12 compound treatment -0.716 -0.371 -0.37 -1.16 -0.802 -0.74 -0.691 -0.43791756097561 -0.549033748131623 -0.9588 -0.964 3213238 Ald1-H_000092 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E13 compound treatment -0.82 -0.475 -0.47 -3.252 -2.89 -2.68 -2.013 -1.75991756097561 -2.20647496472268 -3.0938 -0.8831 3213240 Ald1-H_000093 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E14 compound treatment -1.116 -0.771 -0.77 -3.009 -2.65 -2.46 -1.518 -1.26491756097561 -1.5858748117631 -2.7755 -0.9186 3213242 Ald1-H_000094 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E15 compound treatment -1.201 -0.856 -0.85 -2.639 -2.28 -2.11 -1.211 -0.95791756097561 -1.20097734315988 -2.4043 -0.9338 3213244 Ald1-H_000095 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E16 compound treatment -0.422 -0.0769 -0.08 -0.694 -0.336 -0.31 -0.784 -0.53091756097561 -0.665631352627061 -0.6083 -0.8233 3213246 Ald1-H_000096 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E17 mock treatment -0.387 -0.0419 -0.04 -0.477 -0.119 -0.11 -0.677 -0.42391756097561 -0.53148142057317 -0.3947 -0.725 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E18 mock treatment 0.721 1.07 1.06 0.221 0.579 0.54 0.297 0.55008243902439 0.68965908242206 1.3194 0.9608 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E19 compound treatment -0.301 0.0441 0.04 -0.272 0.0856 0.08 -0.236 0.01708243902439 0.0214168975180995 0.0834 0.8964 3213248 Ald1-H_000097 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E20 compound treatment -1.124 -0.779 -0.77 -0.626 -0.268 -0.25 -0.6 -0.34691756097561 -0.434943619001678 -0.8417 -0.9126 3213250 Ald1-H_000098 OC(=O)c1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E21 compound treatment -0.294 0.0511 0.05 -0.242 0.116 0.11 0.117 0.37008243902439 0.463986299527664 0.359 0.7497 3213252 Ald1-H_000099 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E22 compound treatment -0.519 -0.174 -0.17 -0.366 -0.00839 -0.01 -0.353 -0.09991756097561 -0.125270411363258 -0.1766 -0.8267 3213254 Ald1-H_000100 OC(=O)c1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E23 compound treatment -0.325 0.0201 0.02 0.094 0.452 0.42 0.096 0.34908243902439 0.437657808189985 0.5056 0.8349 3213256 Ald1-H_000101 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 E24 compound treatment -0.346 -9.34E-4 0.0 -0.756 -0.398 -0.37 -0.404 -0.15091756097561 -0.189211033183336 -0.3228 -0.7785 3213258 Ald1-H_000102 OC(=O)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F01 mock treatment -0.635 -0.29 -0.29 -1.153 -0.795 -0.74 -0.589 -0.33591756097561 -0.421152504491465 -0.8348 -0.9316 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F02 mock treatment -0.347 -0.00193 0.0 -0.81 -0.452 -0.42 -0.381 -0.12791756097561 -0.160375066480164 -0.3355 -0.7481 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F03 compound treatment -0.706 -0.361 -0.36 -1.403 -1.05 -0.97 -0.809 -0.55591756097561 -0.696974794695727 -1.1684 -0.938 3213260 Ald1-H_000103 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cn(c3ccccc23)S(=O)(=O)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F04 compound treatment -0.914 -0.569 -0.57 -2.333 -1.98 -1.83 -2.229 -1.97591756097561 -2.47728230419596 -2.8129 -0.8984 3213262 Ald1-H_000104 ONC(=O)CCCCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F05 compound treatment -0.311 0.0341 0.03 -1.2 -0.842 -0.78 -0.161 0.09208243902439 0.115447223724098 -0.3641 -0.4614 3213264 Ald1-H_000105 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F06 compound treatment 0.043 0.388 0.39 -0.381 -0.0234 -0.02 -0.498 -0.24491756097561 -0.307062375361521 0.033 0.0668 3213266 Ald1-H_000106 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F07 compound treatment -0.796 -0.451 -0.45 -1.586 -1.23 -1.14 -1.156 -0.90291756097561 -1.13202177060881 -1.5691 -0.9417 3213268 Ald1-H_000107 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F08 compound treatment -0.398 -0.0529 -0.05 -0.466 -0.108 -0.1 -0.471 -0.21791756097561 -0.273211457927361 -0.2461 -0.8319 3213270 Ald1-H_000108 ONC(=O)CCCCCCC(=O)N/N=C/c1cccnc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F09 mock treatment 1.746 2.09 1.54 -1.183 -0.825 -0.76 -0.757 -0.50391756097561 -0.631780435192901 0.0806 0.0441 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F10 mock treatment -0.787 -0.442 -0.44 -0.459 -0.101 -0.09 -0.239 0.01408243902439 0.0176556844698596 -0.2977 -0.662 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F11 compound treatment -1.529 -1.18 -1.18 -0.826 -0.468 -0.43 -0.502 -0.24891756097561 -0.312077326092507 -1.1101 -0.8588 3213272 Ald1-H_000109 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F12 compound treatment 0.238 0.583 0.58 1.272 1.63 1.34 0.829 1.08208243902439 1.35664752964327 1.889 0.9492 3213274 Ald1-H_000110 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F13 compound treatment -0.258 0.0871 0.09 -1.725 -1.37 -1.27 -1.292 -1.03891756097561 -1.30253009546235 -1.433 -0.788 3213276 Ald1-H_000111 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc[nH]2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F14 compound treatment 0.219 0.564 0.56 0.958 1.32 1.22 0.413 0.66608243902439 0.83509265362067 1.5092 0.9553 3213278 Ald1-H_000112 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F15 compound treatment -0.385 -0.0399 -0.04 -0.515 -0.157 -0.15 -0.46 -0.20691756097561 -0.259420343417148 -0.2568 -0.8556 3213280 Ald1-H_000113 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)N3CCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F16 compound treatment 0.529 0.874 0.87 1.185 1.54 1.31 0.609 0.86208243902439 1.08082523943901 1.8833 0.9864 3213282 Ald1-H_000114 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F17 mock treatment -0.712 -0.367 -0.36 -1.022 -0.664 -0.62 0.047 0.30008243902439 0.376224661735399 -0.3486 -0.4313 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F18 mock treatment 0.007 0.352 0.35 -0.658 -0.3 -0.28 -0.63 -0.37691756097561 -0.472555749484078 -0.2313 -0.3556 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F19 compound treatment -0.894 -0.549 -0.55 -1.97 -1.61 -1.49 -1.712 -1.45891756097561 -1.82909992221594 -2.2331 -0.9215 3213284 Ald1-H_000115 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F20 compound treatment -0.723 -0.378 -0.38 -0.603 -0.245 -0.23 -0.799 -0.54591756097561 -0.68443741786826 -0.7433 -0.914 3213286 Ald1-H_000116 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F21 compound treatment -1.942 -1.6 -1.59 -3.429 -3.07 -2.84 -1.077 -0.82391756097561 -1.03297649367183 -3.155 -0.9233 3213288 Ald1-H_000117 CCCCCCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F22 compound treatment -4.711 -4.37 -4.34 -4.061 -3.7 -3.43 -1.716 -1.46291756097561 -1.83411487294693 -5.5447 -0.9514 3213290 Ald1-H_000118 CCCCCCC/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F23 compound treatment -1.43 -1.08 -1.08 -0.455 -0.0974 -0.09 -0.614 -0.36091756097561 -0.452495946560131 -0.936 -0.7979 3213292 Ald1-H_000119 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2nccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 F24 compound treatment -0.589 -0.244 -0.24 -0.38 -0.0224 -0.02 -0.154 0.09908243902439 0.124223387503324 -0.0803 -0.2937 3213294 Ald1-H_000120 ONC(=O)CCCCCCC(=O)N/N=C/c1nccs1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G01 compound treatment -0.402 -0.0569 -0.06 -0.43 -0.0724 -0.07 -0.311 -0.05791756097561 -0.0726134286878987 -0.1133 -0.9949 3213296 Ald1-H_000121 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G02 compound treatment -0.717 -0.372 -0.37 -2.039 -1.68 -1.56 -0.956 -0.70291756097561 -0.881274234059483 -1.6212 -0.8874 3213298 Ald1-H_000122 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G03 mock treatment -0.119 0.226 0.22 -0.212 0.146 0.13 0.218 0.47108243902439 0.590613805485075 0.5486 0.849 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G04 mock treatment -0.543 -0.198 -0.2 -0.661 -0.303 -0.28 -0.588 -0.33491756097561 -0.419898766808719 -0.5182 -0.9558 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G05 compound treatment -0.385 -0.0399 -0.04 -1.053 -0.695 -0.64 -0.231 0.02208243902439 0.0276855859318327 -0.3787 -0.5865 3213300 Ald1-H_000123 ONC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G06 compound treatment -0.948 -0.603 -0.6 -1.496 -1.14 -1.05 -1.216 -0.96291756097561 -1.20724603157361 -1.6517 -0.9653 3213302 Ald1-H_000124 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccnc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G07 compound treatment -0.948 -0.603 -0.6 -1.306 -0.948 -0.88 -1.08 -0.82691756097561 -1.03673770672007 -1.4516 -0.9775 3213304 Ald1-H_000125 ONC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G08 compound treatment -1.232 -0.887 -0.88 -1.38 -1.02 -0.95 0.023 0.27608243902439 0.34613495734948 -0.8558 -0.639 3213306 Ald1-H_000126 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G09 compound treatment 1.948 2.29 1.57 0.211 0.569 0.53 -0.463 -0.20991756097561 -0.263181556465388 1.0608 0.6312 3213308 Ald1-H_000127 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G10 compound treatment -2.414 -2.07 -2.06 -1.802 -1.44 -1.34 -1.082 -0.82891756097561 -1.03924518208556 -2.5597 -0.9607 3213310 Ald1-H_000128 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G11 compound treatment 0.815 1.16 1.15 0.229 0.587 0.54 -0.016 0.23708243902439 0.297239187722361 1.1511 0.8793 3213312 Ald1-H_000129 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G12 compound treatment -1.899 -1.55 -1.54 -1.36 -1.0 -0.93 -1.276 -1.02291756097561 -1.28247029253841 -2.1682 -0.9802 3213313 Ald1-H_000130 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G13 compound treatment -0.79 -0.445 -0.44 -0.558 -0.2 -0.19 -0.543 -0.28991756097561 -0.36348057108512 -0.5724 -0.951 3213314 Ald1-H_000131 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(C#N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G14 compound treatment -0.674 -0.329 -0.33 -0.933 -0.575 -0.53 -0.379 -0.12591756097561 -0.15786759111467 -0.5875 -0.9113 3213316 Ald1-H_000132 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(C#N)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G15 compound treatment -0.345 6.6E-5 0.0 -0.501 -0.143 -0.13 -0.035 0.21808243902439 0.273418171750175 0.0812 0.2673 3213318 Ald1-H_000133 ONC(=O)CCCCCCC(=O)N/N=C/C1CCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G16 compound treatment -2.047 -1.7 -1.69 -2.441 -2.08 -1.93 -1.779 -1.52591756097561 -1.91310034695997 -3.1952 -0.9983 3213320 Ald1-H_000134 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G17 compound treatment -0.536 -0.191 -0.19 -1.885 -1.53 -1.41 -1.498 -1.24491756097561 -1.56080005810816 -1.8273 -0.864 3213322 Ald1-H_000135 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G18 compound treatment -1.008 -0.663 -0.66 -1.398 -1.04 -0.96 -1.479 -1.22591756097561 -1.53697904213598 -1.8241 -0.9451 3213324 Ald1-H_000136 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G19 mock treatment -0.369 -0.0239 -0.02 -0.453 -0.0954 -0.09 -0.445 -0.19191756097561 -0.240614278175949 -0.2037 -0.7911 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G20 mock treatment -0.695 -0.35 -0.35 -0.703 -0.345 -0.32 -0.26 -0.00691756097561003 -0.00867280686781992 -0.3905 -0.8262 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G21 compound treatment -1.321 -0.976 -0.97 -0.641 -0.283 -0.26 -0.803 -0.54991756097561 -0.689452368599247 -1.1097 -0.9105 3213326 Ald1-H_000137 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G22 compound treatment -1.009 -0.664 -0.66 -0.77 -0.412 -0.38 -0.015 0.23808243902439 0.298492925405107 -0.4292 -0.5241 3213328 Ald1-H_000138 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G23 compound treatment 0.395 0.74 0.74 0.308 0.666 0.62 -0.009 0.24408243902439 0.306015351501587 0.9573 0.9503 3213330 Ald1-H_000139 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 G24 compound treatment -1.06 -0.715 -0.71 -0.984 -0.626 -0.58 -0.81 -0.55691756097561 -0.698228532378473 -1.1483 -0.9961 3213332 Ald1-H_000140 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H01 compound treatment -3.321 -2.98 -2.96 -1.276 -0.918 -0.85 -0.735 -0.48191756097561 -0.604198206172475 -2.5479 -0.8122 3213334 Ald1-H_000141 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H02 compound treatment -1.03 -0.685 -0.68 0.314 0.672 0.62 -0.811 -0.55791756097561 -0.69948227006122 -0.4379 -0.3784 3213336 Ald1-H_000142 ONC(=O)CCCCCCC(=O)N/N=C/c1cccs1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H03 mock treatment -0.831 -0.486 -0.48 -0.839 -0.481 -0.45 -0.916 -0.66291756097561 -0.831124726749617 -1.0161 -0.9589 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H04 mock treatment -0.697 -0.352 -0.35 -0.066 0.292 0.27 -0.257 -0.00391756097561002 -0.00491159381957999 -0.0489 -0.1107 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H05 compound treatment -2.148 -1.8 -1.79 -1.653 -1.3 -1.2 -0.638 -0.38491756097561 -0.482585650946051 -2.006 -0.9077 3213338 Ald1-H_000143 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H06 compound treatment -3.308 -2.96 -2.95 -2.326 -1.97 -1.82 -2.217 -1.96391756097561 -2.462237452003 -4.1745 -0.9823 3213340 Ald1-H_000144 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H07 compound treatment -1.227 -0.882 -0.88 -0.99 -0.632 -0.59 -0.917 -0.66391756097561 -0.832378464432364 -1.3249 -0.9863 3213342 Ald1-H_000145 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H08 compound treatment 0.774 1.12 1.11 -0.086 0.272 0.25 0.184 0.43708243902439 0.547986724271689 1.1039 0.8724 3213344 Ald1-H_000146 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H09 compound treatment -0.385 -0.0399 -0.04 -0.228 0.13 0.12 -0.185 0.06808243902439 0.0853575193381783 0.0956 0.6271 3213346 Ald1-H_000147 Oc1cc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H10 compound treatment 2.246 2.59 1.62 1.799 2.16 1.45 1.114 1.36708243902439 1.62522561207164 2.7116 0.9986 3213348 Ald1-H_000148 ONC(=O)CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H11 compound treatment -1.877 -1.53 -1.52 -0.701 -0.343 -0.32 -1.005 -0.75191756097561 -0.942707380514068 -1.6072 -0.8835 3213350 Ald1-H_000149 COc1cc(OC)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H12 compound treatment -1.529 -1.18 -1.18 -0.88 -0.522 -0.48 -0.877 -0.62391756097561 -0.782228957122498 -1.4104 -0.9442 3213352 Ald1-H_000150 COc1cc(OC)c(/C=N/NC(=O)CCCCCCC(=O)NO)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H13 compound treatment -0.977 -0.632 -0.63 -1.011 -0.653 -0.61 -0.58 -0.32691756097561 -0.409868865346745 -0.9487 -0.9844 3213354 Ald1-H_000151 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H14 compound treatment -0.549 -0.204 -0.2 -0.685 -0.327 -0.3 -0.904 -0.65091756097561 -0.816079874556658 -0.7632 -0.8539 3213356 Ald1-H_000152 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H15 compound treatment -2.264 -1.92 -1.91 -1.34 -0.982 -0.91 -1.559 -1.30591756097561 -1.63727805675571 -2.5719 -0.962 3213358 Ald1-H_000153 CC(C)(C)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H16 compound treatment -0.787 -0.442 -0.44 -0.607 -0.249 -0.23 -0.837 -0.58391756097561 -0.732079449812632 -0.8097 -0.9154 3213360 Ald1-H_000154 CC(C)(C)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H17 compound treatment -1.213 -0.868 -0.86 -1.633 -1.28 -1.18 -0.693 -0.43991756097561 -0.551541223497116 -1.4984 -0.9586 3213362 Ald1-H_000155 CC1=C(C/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)C(C)(C)CCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H18 compound treatment -1.007 -0.662 -0.66 -1.075 -0.717 -0.66 -0.983 -0.72991756097561 -0.915125151493642 -1.2918 -0.9874 3213364 Ald1-H_000156 CC1=C(C/C=N/NC(=O)CCCCCCC(=O)NO)C(C)(C)CCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H19 mock treatment -0.526 -0.181 -0.18 -0.859 -0.501 -0.46 -0.367 -0.11391756097561 -0.142822738921711 -0.4544 -0.8772 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H20 mock treatment -0.515 -0.17 -0.17 -0.549 -0.191 -0.18 -0.313 -0.05991756097561 -0.0751209040533919 -0.2432 -0.9497 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H21 compound treatment -0.807 -0.462 -0.46 -0.817 -0.459 -0.43 -0.527 -0.27391756097561 -0.343420768161173 -0.709 -0.993 3213366 Ald1-H_000157 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H22 compound treatment 0.119 0.464 0.46 -0.428 -0.0704 -0.07 -0.35 -0.09691756097561 -0.121509198315018 0.1586 0.3293 3213368 Ald1-H_000158 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H23 compound treatment -1.401 -1.06 -1.05 -0.327 0.0306 0.03 -0.663 -0.40991756097561 -0.513929093014717 -0.8864 -0.7582 3213370 Ald1-H_000159 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 H24 compound treatment -0.84 -0.495 -0.49 -0.673 -0.315 -0.29 -0.783 -0.52991756097561 -0.664377614944314 -0.8363 -0.9538 3213372 Ald1-H_000160 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I01 compound treatment -0.834 -0.489 -0.49 -2.094 -1.74 -1.61 -1.854 -1.60091756097561 -2.00713067316597 -2.3677 -0.9047 3213374 Ald1-H_000161 COc1cc(Cl)c(/C=N/NC(=O)CCCCCCC(=O)NO)c(Cl)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I02 compound treatment -0.892 -0.547 -0.54 -2.315 -1.96 -1.81 -1.006 -0.75291756097561 -0.943961118196815 -1.9053 -0.901 3213376 Ald1-H_000162 COc1cc(Cl)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Cl)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I03 compound treatment -1.046 -0.701 -0.7 -2.834 -2.48 -2.29 -1.306 -1.05291756097561 -1.32008242302081 -2.4883 -0.9095 3213378 Ald1-H_000163 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I04 compound treatment -0.402 -0.0569 -0.06 -0.774 -0.416 -0.39 -1.032 -0.77891756097561 -0.976558297948228 -0.8191 -0.779 3213380 Ald1-H_000164 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I05 mock treatment -0.572 -0.227 -0.23 -0.801 -0.443 -0.41 -0.872 -0.61891756097561 -0.775960268708765 -0.8153 -0.8995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I06 mock treatment -0.506 -0.161 -0.16 -0.527 -0.169 -0.16 -0.616 -0.36291756097561 -0.455003421925625 -0.4456 -0.8786 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I07 compound treatment -0.843 -0.498 -0.5 -1.092 -0.734 -0.68 -0.743 -0.48991756097561 -0.614228107634448 -1.033 -0.9919 3213382 Ald1-H_000165 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I08 compound treatment -0.759 -0.414 -0.41 -0.818 -0.46 -0.43 -0.644 -0.39091756097561 -0.490108077042531 -0.7667 -0.997 3213384 Ald1-H_000166 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I09 compound treatment 3.117 3.46 1.73 3.777 4.13 1.67 1.825 2.07808243902439 1.87328300293646 3.0454 0.9988 3213386 Ald1-H_000167 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I10 compound treatment -0.382 -0.0369 -0.04 -0.775 -0.417 -0.39 -0.021 0.23208243902439 0.290970499308628 -0.0763 -0.1574 3213388 Ald1-H_000168 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I11 compound treatment -0.786 -0.441 -0.44 -1.059 -0.701 -0.65 -0.362 -0.10891756097561 -0.136554050507977 -0.7069 -0.8888 3213390 Ald1-H_000169 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I12 compound treatment -1.309 -0.964 -0.96 -2.877 -2.52 -2.33 -0.967 -0.71391756097561 -0.895065348569696 -2.4169 -0.9031 3213392 Ald1-H_000170 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3OCCc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I13 compound treatment 0.359 0.704 0.7 -0.68 -0.322 -0.3 -0.42 -0.16691756097561 -0.209270836107283 0.111 0.1406 3213394 Ald1-H_000171 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I14 compound treatment -1.058 -0.713 -0.71 -2.262 -1.9 -1.76 -1.224 -0.97091756097561 -1.21727593303558 -2.1301 -0.9438 3213396 Ald1-H_000172 Oc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I15 compound treatment -0.206 0.139 0.14 -0.765 -0.407 -0.38 -0.387 -0.13391756097561 -0.167897492576643 -0.2349 -0.5395 3213398 Ald1-H_000173 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I16 compound treatment -0.671 -0.326 -0.32 -1.487 -1.13 -1.05 -1.959 -1.70591756097561 -2.13877312985437 -2.0257 -0.8431 3213400 Ald1-H_000174 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I17 compound treatment -0.03 0.315 0.31 1.352 1.71 1.36 1.91 2.16308243902439 1.89566760283209 2.0579 0.8752 3213402 Ald1-H_000175 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I18 compound treatment -0.079 0.266 0.26 -0.181 0.177 0.16 0.009 0.26208243902439 0.328582629791027 0.4368 0.9656 3213404 Ald1-H_000176 Oc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I19 compound treatment 0.065 0.41 0.41 0.246 0.604 0.56 0.287 0.54008243902439 0.677121705594593 0.949 0.9803 3213406 Ald1-H_000177 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I20 compound treatment -0.377 -0.0319 -0.03 -0.848 -0.49 -0.45 -0.312 -0.05891756097561 -0.0738671663706453 -0.3231 -0.7007 3213408 Ald1-H_000178 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I21 mock treatment -0.774 -0.429 -0.43 -1.721 -1.36 -1.26 -0.705 -0.45191756097561 -0.566586075690076 -1.3022 -0.8993 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I22 mock treatment -0.378 -0.0329 -0.03 -0.93 -0.572 -0.53 -0.507 -0.25391756097561 -0.318346014506241 -0.5087 -0.8216 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I23 compound treatment -0.422 -0.0769 -0.08 -1.046 -0.688 -0.64 -0.512 -0.25891756097561 -0.324614702919974 -0.5996 -0.8335 3213410 Ald1-H_000179 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 I24 compound treatment -1.31 -0.965 -0.96 -2.331 -1.97 -1.83 -1.023 -0.76991756097561 -0.965274658803508 -2.1661 -0.9507 3213412 Ald1-H_000180 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J01 compound treatment -1.542 -1.2 -1.19 -2.406 -2.05 -1.9 -1.02 -0.76691756097561 -0.961513445755268 -2.3372 -0.9591 3213414 Ald1-H_000181 Oc1ccccc1NC(=O)CCCCCCC(=O)NN=C2CCCCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J02 compound treatment 0.261 0.606 0.6 -0.717 -0.359 -0.33 -0.615 -0.36191756097561 -0.453749684242878 -0.1062 -0.1289 3213415 Ald1-H_000182 ONC(=O)CCCCCCC(=O)NN=C1CCCCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J03 compound treatment -1.464 -1.12 -1.11 -2.724 -2.37 -2.19 -1.991 -1.73791756097561 -2.17889273570226 -3.1653 -0.9638 3213416 Ald1-H_000183 Oc1ccccc1NC(=O)CCCCCCC(=O)NN=C2CCCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J04 compound treatment -0.572 -0.227 -0.23 -0.856 -0.498 -0.46 -0.931 -0.67791756097561 -0.849930791990817 -0.8874 -0.8936 3213417 Ald1-H_000184 ONC(=O)CCCCCCC(=O)NN=C1CCCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J05 mock treatment -0.068 0.277 0.28 -1.043 -0.685 -0.63 -0.06 0.19308243902439 0.242074729681509 -0.0676 -0.0922 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J06 mock treatment -0.029 0.316 0.31 -0.564 -0.206 -0.19 -0.592 -0.33891756097561 -0.424913717539705 -0.1742 -0.3101 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J07 compound treatment -1.35 -1.0 -1.0 -2.113 -1.76 -1.63 -2.201 -1.94791756097561 -2.44217764907905 -2.9252 -0.9439 3213418 Ald1-H_000185 Oc1ccccc1NC(=O)CCCCCCC(=O)NN=C2CCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J08 compound treatment -0.625 -0.28 -0.28 -0.308 0.0496 0.05 -0.012 0.24108243902439 0.302254138453347 0.0404 0.0976 3213419 Ald1-H_000186 ONC(=O)CCCCCCC(=O)NN=C1CCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J09 mock treatment -1.191 -0.846 -0.84 -2.162 -1.8 -1.67 -0.676 -0.42291756097561 -0.530227682890423 -1.7563 -0.9034 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J10 mock treatment -3.06 -2.71 -2.7 -2.41 -2.05 -1.9 -1.129 -0.87591756097561 -1.09817085317465 -3.2896 -0.9456 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J11 compound treatment -0.984 -0.639 -0.64 -0.176 0.182 0.17 -0.608 -0.35491756097561 -0.444973520463651 -0.5266 -0.6635 3213420 Ald1-H_000187 COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J12 compound treatment -0.955 -0.61 -0.61 -1.149 -0.791 -0.73 -0.653 -0.39991756097561 -0.50139171618725 -1.0626 -0.9883 3213422 Ald1-H_000188 COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)NO)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J13 compound treatment -1.663 -1.32 -1.31 -3.078 -2.72 -2.52 -1.445 -1.19191756097561 -1.49435196092259 -3.0735 -0.9579 3213424 Ald1-H_000189 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/CCC2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J14 compound treatment -0.678 -0.333 -0.33 -2.053 -1.7 -1.57 -1.344 -1.09091756097561 -1.36772445496518 -1.8871 -0.8951 3213426 Ald1-H_000190 ONC(=O)CCCCCCC(=O)N/N=C/CCC1CCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J15 compound treatment -0.104 0.241 0.24 -0.69 -0.332 -0.31 -0.544 -0.29091756097561 -0.364734308767866 -0.2499 -0.468 3213428 Ald1-H_000191 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)N(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J16 compound treatment -0.545 -0.2 -0.2 -1.232 -0.874 -0.81 -1.926 -1.67291756097561 -2.09739978632373 -1.7931 -0.7945 3213430 Ald1-H_000192 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J17 compound treatment -0.217 0.128 0.13 -1.176 -0.818 -0.76 -0.56 -0.30691756097561 -0.384794111691813 -0.5862 -0.6821 3213432 Ald1-H_000193 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J18 compound treatment -0.245 0.1 0.1 -0.298 0.0596 0.06 -0.267 -0.01391756097561 -0.0174489706470464 0.0792 0.6884 3213434 Ald1-H_000194 ONC(=O)CCCCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J19 mock treatment -1.624 -1.28 -1.27 -2.266 -1.91 -1.77 -2.514 -2.26091756097561 -2.83459754377875 -3.3909 -0.9487 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J20 mock treatment -0.887 -0.542 -0.54 -0.332 0.0256 0.02 -0.478 -0.22491756097561 -0.281987621706588 -0.4602 -0.7562 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J21 mock treatment -0.711 -0.366 -0.36 -0.882 -0.524 -0.49 -0.512 -0.25891756097561 -0.324614702919974 -0.6778 -0.985 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J22 mock treatment -1.211 -0.866 -0.86 -0.958 -0.6 -0.56 -0.417 -0.16391756097561 -0.205509623059043 -0.9366 -0.8962 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J23 mock treatment -0.545 -0.2 -0.2 -0.033 0.325 0.3 -0.33 -0.07691756097561 -0.0964344446600849 0.0031 0.0083 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 J24 mock treatment -0.378 -0.0329 -0.03 -0.234 0.124 0.11 -0.122 0.13108243902439 0.164342993351217 0.1421 0.7 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K01 compound treatment -0.916 -0.571 -0.57 -0.436 -0.0784 -0.07 -0.424 -0.17091756097561 -0.214285786838269 -0.4933 -0.8074 3213436 Ald1-H_000195 COc1cccc(OC)c1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K02 compound treatment -0.931 -0.586 -0.58 -1.409 -1.05 -0.97 -0.78 -0.52691756097561 -0.660616401896074 -1.2798 -0.9748 3213438 Ald1-H_000196 COc1cccc(OC)c1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K03 compound treatment -0.38 -0.0349 -0.03 -0.273 0.0846 0.08 0.132 0.38508243902439 0.482792364768864 0.3039 0.6198 3213440 Ald1-H_000197 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K04 compound treatment -1.212 -0.867 -0.86 -1.082 -0.724 -0.67 -0.859 -0.60591756097561 -0.759661678833059 -1.3235 -0.9948 3213442 Ald1-H_000198 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K05 compound treatment -0.192 0.153 0.15 -0.289 0.0686 0.06 -0.232 0.02108243902439 0.0264318482490861 0.1398 0.8371 3213444 Ald1-H_000199 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K06 compound treatment -0.224 0.121 0.12 0.668 1.03 0.95 0.245 0.49808243902439 0.624464722919234 0.9783 0.856 3213446 Ald1-H_000200 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K07 mock treatment -0.646 -0.301 -0.3 -0.77 -0.412 -0.38 -0.632 -0.37891756097561 -0.475063224849571 -0.6675 -0.9831 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K08 mock treatment -0.823 -0.478 -0.48 -0.747 -0.389 -0.36 -0.648 -0.39491756097561 -0.495123027773517 -0.7684 -0.9912 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K09 compound treatment -1.622 -1.28 -1.27 -0.466 -0.108 -0.1 -1.009 -0.75591756097561 -0.947722331245055 -1.3381 -0.8429 3213448 Ald1-H_000201 CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)NO)OC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K10 compound treatment -2.514 -2.17 -2.16 -2.249 -1.89 -1.75 -1.801 -1.54791756097561 -1.9406825759804 -3.3765 -0.9964 3213450 Ald1-H_000202 CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)OC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K11 compound treatment -0.488 -0.143 -0.14 -0.193 0.165 0.15 -0.133 0.12008243902439 0.150551878841004 0.0929 0.3613 3213452 Ald1-H_000203 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o2)n1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K12 compound treatment -0.696 -0.351 -0.35 -0.426 -0.0684 -0.06 -0.442 -0.18891756097561 -0.236853065127709 -0.3747 -0.8788 3213454 Ald1-H_000204 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O)o2)n1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K13 compound treatment -1.275 -0.93 -0.92 -1.304 -0.946 -0.88 -0.084 0.16908243902439 0.211985025295589 -0.9173 -0.7104 3213456 Ald1-H_000205 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cs1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K14 compound treatment -0.622 -0.277 -0.28 -0.828 -0.47 -0.44 -0.589 -0.33591756097561 -0.421152504491465 -0.6536 -0.9821 3213458 Ald1-H_000206 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)cs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K15 mock treatment -0.366 -0.0209 -0.02 -0.131 0.227 0.21 0.052 0.30508243902439 0.382493350149132 0.33 0.7555 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K16 mock treatment -0.66 -0.315 -0.31 -1.05 -0.692 -0.64 -0.58 -0.32691756097561 -0.409868865346745 -0.7876 -0.9571 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K17 compound treatment -0.026 0.319 0.32 -1.614 -1.26 -1.16 -1.53 -1.27691756097561 -1.60091966395606 -1.4128 -0.7049 3213460 Ald1-H_000207 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K18 compound treatment -0.758 -0.413 -0.41 -1.734 -1.38 -1.27 -1.323 -1.06991756097561 -1.3413959636275 -1.7473 -0.9219 3213462 Ald1-H_000208 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K19 compound treatment -1.416 -1.07 -1.06 -1.971 -1.61 -1.49 -1.516 -1.26291756097561 -1.5833673363976 -2.3914 -0.9868 3213464 Ald1-H_000209 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K20 compound treatment -0.559 -0.214 -0.21 -0.914 -0.556 -0.52 -0.713 -0.45991756097561 -0.576615977152049 -0.7531 -0.9391 3213466 Ald1-H_000210 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K21 compound treatment -1.407 -1.06 -1.06 -0.814 -0.456 -0.42 -1.08 -0.82691756097561 -1.03673770672007 -1.4521 -0.9436 3213468 Ald1-H_000211 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K22 compound treatment -2.216 -1.87 -1.86 -1.628 -1.27 -1.18 -1.254 -1.00091756097561 -1.25488806351798 -2.4775 -0.9779 3213470 Ald1-H_000212 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(F)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K23 mock treatment -0.716 -0.371 -0.37 -0.304 0.0536 0.05 -0.205 0.04808243902439 0.0602827656832454 -0.1494 -0.3965 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 K24 mock treatment -0.907 -0.562 -0.56 -0.359 -0.00139 0.0 -0.645 -0.39191756097561 -0.491361814725277 -0.607 -0.8158 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L01 compound treatment -0.301 0.0441 0.04 -1.089 -0.731 -0.68 -0.377 -0.12391756097561 -0.155360115749177 -0.4554 -0.6541 3213472 Ald1-H_000213 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L02 compound treatment -0.526 -0.181 -0.18 -0.453 -0.0954 -0.09 -0.68 -0.42691756097561 -0.53524263362141 -0.4639 -0.8116 3213474 Ald1-H_000214 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L03 compound treatment -0.421 -0.0759 -0.08 -0.627 -0.269 -0.25 -0.473 -0.21991756097561 -0.275718933292855 -0.3468 -0.914 3213476 Ald1-H_000215 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L04 compound treatment -0.63 -0.285 -0.28 -0.423 -0.0654 -0.06 -0.88 -0.62691756097561 -0.785990170170738 -0.6523 -0.7787 3213478 Ald1-H_000216 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L05 compound treatment -0.973 -0.628 -0.62 -1.053 -0.695 -0.64 -0.745 -0.49191756097561 -0.616735582999941 -1.0882 -0.9998 3213480 Ald1-H_000217 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L06 compound treatment -0.564 -0.219 -0.22 -1.201 -0.843 -0.78 -1.0 -0.74691756097561 -0.936438692100335 -1.1172 -0.902 3213482 Ald1-H_000218 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L07 mock treatment -0.002 0.343 0.34 -0.685 -0.327 -0.3 -0.01 0.24308243902439 0.304761613818841 0.1978 0.3606 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L08 mock treatment -0.638 -0.293 -0.29 -0.563 -0.205 -0.19 -0.532 -0.27891756097561 -0.349689456574907 -0.4798 -0.9729 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L09 compound treatment -0.785 -0.44 -0.44 -0.982 -0.624 -0.58 -0.682 -0.42891756097561 -0.537750108986903 -0.8968 -0.9935 3213484 Ald1-H_000219 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L10 compound treatment 0.083 0.428 0.43 -0.136 0.222 0.21 0.043 0.29608243902439 0.371209711004413 0.5785 0.9628 3213485 Ald1-H_000220 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L11 compound treatment -0.703 -0.358 -0.36 -0.671 -0.313 -0.29 -0.876 -0.62291756097561 -0.780975219439752 -0.8239 -0.9094 3213486 Ald1-H_000221 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L12 compound treatment -0.717 -0.372 -0.37 -0.528 -0.17 -0.16 -0.602 -0.34891756097561 -0.437451094367172 -0.5571 -0.9377 3213487 Ald1-H_000222 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L13 compound treatment -0.896 -0.551 -0.55 -0.896 -0.538 -0.5 -0.726 -0.47291756097561 -0.592914567027755 -0.9464 -0.9975 3213488 Ald1-H_000223 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L14 compound treatment -0.606 -0.261 -0.26 -0.363 -0.00539 0.0 -0.462 -0.20891756097561 -0.261927818782642 -0.3039 -0.8242 3213490 Ald1-H_000224 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L15 mock treatment -0.546 -0.201 -0.2 -0.822 -0.464 -0.43 -0.656 -0.40291756097561 -0.50515292923549 -0.6552 -0.9458 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L16 mock treatment -0.69 -0.345 -0.34 -0.608 -0.25 -0.23 -0.867 -0.61391756097561 -0.769691580295032 -0.7762 -0.8882 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L17 compound treatment -0.73 -0.385 -0.38 -1.34 -0.982 -0.91 -2.028 -1.77491756097561 -2.22528102996388 -2.0309 -0.8343 3213492 Ald1-H_000225 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L18 compound treatment -0.755 -0.41 -0.41 -1.962 -1.6 -1.49 -1.509 -1.25591756097561 -1.57459117261838 -2.0021 -0.9089 3213494 Ald1-H_000226 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L19 compound treatment -0.519 -0.174 -0.17 -1.161 -0.803 -0.74 -0.249 0.00408243902438998 0.00511830764239316 -0.5264 -0.6892 3213496 Ald1-H_000227 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc[n+]([O-])cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L20 compound treatment -0.71 -0.365 -0.36 -0.876 -0.518 -0.48 -0.183 0.07008243902439 0.0878649947036716 -0.4359 -0.7168 3213498 Ald1-H_000228 ONC(=O)CCCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L21 compound treatment -0.517 -0.172 -0.17 -0.653 -0.295 -0.27 -0.607 -0.35391756097561 -0.443719782780905 -0.5128 -0.9348 3213500 Ald1-H_000229 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3ccccc3n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L22 compound treatment -0.744 -0.399 -0.4 -0.589 -0.231 -0.21 -0.781 -0.52791756097561 -0.661870139578821 -0.7348 -0.9176 3213502 Ald1-H_000230 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L23 mock treatment -0.457 -0.112 -0.11 -0.436 -0.0784 -0.07 -0.386 -0.13291756097561 -0.166643754893897 -0.2024 -0.9495 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 L24 mock treatment -0.425 -0.0799 -0.08 -0.425 -0.0674 -0.06 -0.513 -0.25991756097561 -0.32586844060272 -0.27 -0.7915 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M01 compound treatment -0.744 -0.399 -0.4 -1.164 -0.806 -0.75 0.507 0.76008243902439 0.952943995798855 -0.1099 -0.0863 3213504 Ald1-H_000231 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M02 compound treatment -0.858 -0.513 -0.51 -1.785 -1.43 -1.32 -0.885 -0.63191756097561 -0.792258858584471 -1.5149 -0.9333 3213506 Ald1-H_000232 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M03 compound treatment -1.428 -1.08 -1.08 -1.283 -0.925 -0.86 -1.397 -1.14391756097561 -1.43417255215075 -1.9443 -0.9783 3213508 Ald1-H_000233 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M04 compound treatment -1.373 -1.03 -1.02 -0.286 0.0716 0.07 -2.443 -2.18991756097561 -2.74558216830374 -2.1369 -0.7292 3213510 Ald1-H_000234 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(F)c(Oc3ccccc3)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M05 compound treatment -0.515 -0.17 -0.17 0.066 0.424 0.39 0.548 0.80108243902439 1.00434724079147 0.7088 0.6494 3213512 Ald1-H_000235 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(F)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M06 compound treatment -0.471 -0.126 -0.13 -0.585 -0.227 -0.21 -0.579 -0.32591756097561 -0.408615127663999 -0.4298 -0.9021 3213514 Ald1-H_000236 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(F)ccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M07 compound treatment -0.778 -0.433 -0.43 -0.734 -0.376 -0.35 -0.39 -0.13691756097561 -0.171658705624883 -0.5488 -0.9465 3213516 Ald1-H_000237 ONC(=O)CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M08 compound treatment -0.59 -0.245 -0.24 -0.939 -0.581 -0.54 -0.836 -0.58291756097561 -0.730825712129886 -0.8733 -0.9293 3213518 Ald1-H_000238 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2coc3ccccc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M09 mock treatment -0.786 -0.441 -0.44 -0.972 -0.614 -0.57 -0.635 -0.38191756097561 -0.478824437897811 -0.858 -0.994 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M10 mock treatment -0.792 -0.447 -0.44 -0.936 -0.578 -0.54 -0.652 -0.39891756097561 -0.500137978504504 -0.8545 -0.9971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M11 compound treatment -1.452 -1.11 -1.1 -1.209 -0.851 -0.79 -0.965 -0.71191756097561 -0.892557873204203 -1.6058 -0.9903 3213520 Ald1-H_000239 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M12 compound treatment -0.951 -0.606 -0.6 -1.632 -1.27 -1.18 -0.864 -0.61091756097561 -0.765930367246792 -1.4713 -0.9614 3213522 Ald1-H_000240 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M13 mock treatment -0.323 0.0221 0.02 -1.161 -0.803 -0.74 -0.28 -0.02691756097561 -0.0337475605227528 -0.4363 -0.5857 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M14 mock treatment -0.62 -0.275 -0.27 -0.904 -0.546 -0.51 -0.189 0.06408243902439 0.0803425686071917 -0.4035 -0.695 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M15 compound treatment 1.51 1.86 1.48 -0.807 -0.449 -0.42 0.237 0.49008243902439 0.614434821457261 0.9714 0.5854 3213524 Ald1-H_000241 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)B(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M16 compound treatment -0.932 -0.587 -0.58 -0.594 -0.236 -0.22 -1.632 -1.37891756097561 -1.72880090759621 -1.4614 -0.7952 3213526 Ald1-H_000242 OB(O)c1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M17 compound treatment 0.215 0.56 0.56 0.95 1.31 1.21 0.977 1.23008243902439 1.54220070668978 1.9109 0.9375 3213528 Ald1-H_000243 ONC(=O)CCCCCCC(=O)N/N=C/c1ccco1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M18 compound treatment -0.65 -0.305 -0.3 -0.759 -0.401 -0.37 -0.552 -0.29891756097561 -0.37476421022984 -0.606 -0.9956 3213530 Ald1-H_000244 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccco2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M19 compound treatment -0.349 -0.00393 0.0 -0.35 0.00761 0.01 -0.257 -0.00391756097561002 -0.00491159381957999 -0.001 -0.1087 3213532 Ald1-H_000245 ONC(=O)CCCCCCC(=O)N/N=C/c1ccoc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M20 compound treatment -0.547 -0.202 -0.2 -0.6 -0.242 -0.22 -0.507 -0.25391756097561 -0.318346014506241 -0.4293 -0.9797 3213534 Ald1-H_000246 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccoc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M21 compound treatment -1.296 -0.951 -0.95 -1.275 -0.917 -0.85 -1.044 -0.79091756097561 -0.991603150141187 -1.6088 -0.998 3213536 Ald1-H_000247 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M22 compound treatment -0.95 -0.605 -0.6 -2.116 -1.76 -1.63 -1.107 -0.85391756097561 -1.07058862415423 -1.9054 -0.9343 3213538 Ald1-H_000248 Oc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M23 compound treatment -1.298 -0.953 -0.95 -1.618 -1.26 -1.17 -0.808 -0.55491756097561 -0.69572105701298 -1.6224 -0.9795 3213540 Ald1-H_000249 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 M24 compound treatment -1.392 -1.05 -1.04 -2.049 -1.69 -1.57 -0.518 -0.26491756097561 -0.332137129016454 -1.6969 -0.8886 3213542 Ald1-H_000250 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N01 compound treatment -1.689 -1.34 -1.34 -2.117 -1.76 -1.63 -1.757 -1.50391756097561 -1.88551811793954 -2.8006 -0.9905 3213544 Ald1-H_000251 Cc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N02 compound treatment -1.765 -1.42 -1.41 -3.831 -3.47 -3.22 -1.975 -1.72191756097561 -2.15883293277831 -3.9183 -0.9504 3213546 Ald1-H_000252 Cc1ccccc1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N03 compound treatment -1.231 -0.886 -0.88 -1.824 -1.47 -1.36 -0.999 -0.74591756097561 -0.935184954417589 -1.8324 -0.9803 3213548 Ald1-H_000253 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N04 compound treatment -0.615 -0.27 -0.27 -1.474 -1.12 -1.03 -1.253 -0.99991756097561 -1.25363432583524 -1.4755 -0.896 3213550 Ald1-H_000254 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N05 compound treatment -0.293 0.0521 0.05 -1.368 -1.01 -0.94 -1.558 -1.30491756097561 -1.63602431907296 -1.4548 -0.7716 3213552 Ald1-H_000255 O[C@@H](/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N06 compound treatment 0.022 0.367 0.36 -0.213 0.145 0.13 -0.313 -0.05991756097561 -0.0751209040533919 0.2446 0.6179 3213554 Ald1-H_000256 ONC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N07 compound treatment -0.802 -0.457 -0.45 -0.906 -0.548 -0.51 -0.8 -0.54691756097561 -0.685691155551007 -0.9513 -0.9842 3213556 Ald1-H_000257 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N08 compound treatment -0.757 -0.412 -0.41 -1.109 -0.751 -0.7 -0.509 -0.25591756097561 -0.320853489871734 -0.8234 -0.9478 3213557 Ald1-H_000258 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N09 mock treatment -0.478 -0.133 -0.13 -1.559 -1.2 -1.11 -0.577 -0.32391756097561 -0.406107652298505 -0.953 -0.7998 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N10 mock treatment -1.095 -0.75 -0.75 -1.504 -1.15 -1.06 -0.292 -0.03891756097561 -0.0487924127157124 -1.0715 -0.8254 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N11 compound treatment -1.077 -0.732 -0.73 -1.569 -1.21 -1.12 -0.779 -0.52591756097561 -0.659362664213327 -1.4484 -0.9716 3213558 Ald1-H_000259 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N12 compound treatment -0.956 -0.611 -0.61 -0.959 -0.601 -0.56 -0.575 -0.32191756097561 -0.403600176933012 -0.9052 -0.9865 3213560 Ald1-H_000260 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N13 mock treatment -0.937 -0.592 -0.59 -0.952 -0.594 -0.55 -0.536 -0.28291756097561 -0.354704407305893 -0.8623 -0.9795 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N14 mock treatment -1.035 -0.69 -0.69 -1.305 -0.947 -0.88 -1.017 -0.76391756097561 -0.957752232707028 -1.4554 -0.9909 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N15 compound treatment -0.995 -0.65 -0.65 -1.041 -0.683 -0.63 -0.509 -0.25591756097561 -0.320853489871734 -0.9236 -0.9625 3213562 Ald1-H_000261 CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N16 compound treatment -0.646 -0.301 -0.3 -1.865 -1.51 -1.4 -2.039 -1.78591756097561 -2.2390721444741 -2.2713 -0.8554 3213564 Ald1-H_000262 CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)NO)c1OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N17 compound treatment -0.416 -0.0709 -0.07 -0.741 -0.383 -0.35 -0.495 -0.24191756097561 -0.303301162313281 -0.4208 -0.8911 3213566 Ald1-H_000263 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(I)cc(I)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N18 compound treatment -0.145 0.2 0.2 -0.621 -0.263 -0.24 -0.726 -0.47291756097561 -0.592914567027755 -0.3683 -0.5487 3213568 Ald1-H_000264 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N19 compound treatment -0.777 -0.432 -0.43 -0.991 -0.633 -0.59 -0.675 -0.42191756097561 -0.528973945207676 -0.8919 -0.9922 3213570 Ald1-H_000265 CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N20 compound treatment -0.004 0.341 0.34 0.209 0.567 0.52 0.158 0.41108243902439 0.515389544520277 0.7962 0.9832 3213572 Ald1-H_000266 CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N21 compound treatment -0.531 -0.186 -0.18 -1.099 -0.741 -0.69 -0.459 -0.20591756097561 -0.258166605734402 -0.6521 -0.8622 3213574 Ald1-H_000267 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCCC(=O)Nc4ccccc4O)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N22 compound treatment -1.485 -1.14 -1.13 -1.495 -1.14 -1.05 -0.822 -0.56891756097561 -0.713273384571433 -1.6742 -0.9827 3213576 Ald1-H_000268 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCCC(=O)NO)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N23 compound treatment -1.307 -0.962 -0.96 -0.846 -0.488 -0.45 -0.78 -0.52691756097561 -0.660616401896074 -1.1946 -0.9579 3213578 Ald1-H_000269 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(c(F)c2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 N24 compound treatment -1.351 -1.01 -1.0 -1.51 -1.15 -1.07 -0.591 -0.33791756097561 -0.423659979856958 -1.4381 -0.9445 3213580 Ald1-H_000270 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O01 compound treatment -1.028 -0.683 -0.68 -1.49 -1.13 -1.05 -0.872 -0.61891756097561 -0.775960268708765 -1.4454 -0.9829 3213582 Ald1-H_000271 OCCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O02 compound treatment -0.581 -0.236 -0.23 -1.002 -0.644 -0.6 0.0 0.25308243902439 0.317298990646307 -0.2967 -0.4148 3213584 Ald1-H_000272 OCCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O03 compound treatment 0.148 0.493 0.49 -0.145 0.213 0.2 0.279 0.53208243902439 0.66709180413262 0.7818 0.9188 3213586 Ald1-H_000273 OCCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O04 compound treatment -1.032 -0.687 -0.68 -1.602 -1.24 -1.15 -0.938 -0.68491756097561 -0.858706955770043 -1.5553 -0.9775 3213588 Ald1-H_000274 OCCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O05 compound treatment -0.394 -0.0489 -0.05 -1.102 -0.744 -0.69 -0.441 -0.18791756097561 -0.235599327444962 -0.5621 -0.7699 3213590 Ald1-H_000275 OCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O06 compound treatment -0.97 -0.625 -0.62 -1.271 -0.913 -0.85 -1.026 -0.77291756097561 -0.969035871851748 -1.4065 -0.9846 3213592 Ald1-H_000276 OCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O07 compound treatment -0.608 -0.263 -0.26 -1.617 -1.26 -1.17 -1.058 -0.80491756097561 -1.00915547769964 -1.4068 -0.8994 3213594 Ald1-H_000277 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O08 compound treatment -1.697 -1.35 -1.34 -1.688 -1.33 -1.23 -1.06 -0.80691756097561 -1.01166295306513 -2.0713 -0.9934 3213596 Ald1-H_000278 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O09 compound treatment -0.216 0.129 0.13 -0.457 -0.0994 -0.09 -0.123 0.13008243902439 0.16308925566847 0.1151 0.5071 3213598 Ald1-H_000279 COc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O10 compound treatment -1.205 -0.86 -0.85 -1.007 -0.649 -0.6 -0.539 -0.28591756097561 -0.358465620354133 -1.0477 -0.9482 3213600 Ald1-H_000280 COc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O11 mock treatment -0.708 -0.363 -0.36 -0.006 0.352 0.33 -0.418 -0.16491756097561 -0.206763360741789 -0.1397 -0.2646 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O12 mock treatment -0.852 -0.507 -0.5 -0.387 -0.0294 -0.03 -0.369 -0.11591756097561 -0.145330214287204 -0.3906 -0.7437 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O13 compound treatment -0.139 0.206 0.2 0.39 0.748 0.69 -0.027 0.22608243902439 0.283448073212148 0.6816 0.8788 3213602 Ald1-H_000281 COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)NO)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O14 compound treatment -0.552 -0.207 -0.21 -0.655 -0.297 -0.28 -0.436 -0.18291756097561 -0.229330639031229 -0.4102 -0.9926 3213604 Ald1-H_000282 COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O15 compound treatment -0.021 0.324 0.32 0.101 0.459 0.42 0.189 0.44208243902439 0.554255412685422 0.7512 0.9769 3213606 Ald1-H_000283 Cc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O16 compound treatment -0.714 -0.369 -0.37 -1.554 -1.2 -1.11 -0.981 -0.72791756097561 -0.912617676128149 -1.3782 -0.9304 3213608 Ald1-H_000284 Cc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O17 compound treatment -0.365 -0.0199 -0.02 0.235 0.593 0.55 0.659 0.91208243902439 1.14351212357634 0.9656 0.7612 3213610 Ald1-H_000285 OCc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O18 compound treatment -0.612 -0.267 -0.27 -0.761 -0.403 -0.37 -0.667 -0.41391756097561 -0.518944043745703 -0.6685 -0.9656 3213612 Ald1-H_000286 OCc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O19 compound treatment -0.295 0.0501 0.05 -0.674 -0.316 -0.29 -0.257 -0.00391756097561002 -0.00491159381957999 -0.1432 -0.482 3213614 Ald1-H_000287 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O20 compound treatment -0.622 -0.277 -0.28 -0.496 -0.138 -0.13 -0.388 -0.13491756097561 -0.16915123025939 -0.3306 -0.9511 3213616 Ald1-H_000288 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3ccccc3c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O21 compound treatment 0.01 0.355 0.35 -0.12 0.238 0.22 0.312 0.56508243902439 0.70846514766326 0.7399 0.9006 3213618 Ald1-H_000289 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O22 compound treatment -0.711 -0.366 -0.36 -0.708 -0.35 -0.32 -0.672 -0.41891756097561 -0.525212732159437 -0.7006 -0.9777 3213620 Ald1-H_000290 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(o2)c3cccc(Cl)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O23 compound treatment 0.196 0.541 0.54 -0.046 0.312 0.29 -0.539 -0.28591756097561 -0.358465620354133 0.2702 0.3817 3213622 Ald1-H_000291 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 O24 compound treatment -0.638 -0.293 -0.29 -0.497 -0.139 -0.13 -0.507 -0.25391756097561 -0.318346014506241 -0.4265 -0.9469 3213624 Ald1-H_000292 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P01 compound treatment -1.263 -0.918 -0.91 -0.969 -0.611 -0.57 -0.358 -0.10491756097561 -0.131539099776991 -0.9297 -0.8593 3213626 Ald1-H_000293 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(o2)S(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P02 compound treatment 3.504 3.85 1.77 1.347 1.7 1.35 -0.056 0.19708243902439 0.247089680412495 1.9444 0.8682 3213628 Ald1-H_000294 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P03 compound treatment -0.296 0.0491 0.05 -0.256 0.102 0.09 -0.396 -0.14291756097561 -0.179181131721363 -0.021 -0.1007 3213630 Ald1-H_000295 Cn1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P04 compound treatment 0.136 0.481 0.48 0.226 0.584 0.54 -0.137 0.11608243902439 0.145536928110017 0.6721 0.913 3213632 Ald1-H_000296 Cn1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P05 compound treatment -0.418 -0.0729 -0.07 -0.647 -0.289 -0.27 -0.589 -0.33591756097561 -0.421152504491465 -0.4397 -0.8718 3213634 Ald1-H_000297 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cn(Cc3ccccc3)c4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P06 compound treatment -0.651 -0.306 -0.3 -0.939 -0.581 -0.54 -0.57 -0.31691756097561 -0.397331488519279 -0.7158 -0.9739 3213636 Ald1-H_000298 ONC(=O)CCCCCCC(=O)N/N=C/c1cn(Cc2ccccc2)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P07 compound treatment -0.888 -0.543 -0.54 -1.002 -0.644 -0.6 -0.68 -0.42691756097561 -0.53524263362141 -0.9651 -0.9987 3213638 Ald1-H_000299 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C2=CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P08 compound treatment -0.273 0.0721 0.07 -0.38 -0.0224 -0.02 -0.237 0.01608243902439 0.0201631598353529 0.041 0.5311 3213640 Ald1-H_000300 ONC(=O)CCCCCCC(=O)N/N=C/C1=CCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P09 compound treatment -1.259 -0.914 -0.91 -0.868 -0.51 -0.47 -0.182 0.07108243902439 0.0891187323864182 -0.746 -0.7256 3213642 Ald1-H_000301 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P10 compound treatment -0.008 0.337 0.34 0.033 0.391 0.36 -0.104 0.14908243902439 0.186910271640656 0.5102 0.9676 3213643 Ald1-H_000302 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P11 mock treatment -0.862 -0.517 -0.51 -0.255 0.103 0.1 -0.208 0.04508243902439 0.0565215526350055 -0.2092 -0.398 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P12 mock treatment -0.47 -0.125 -0.12 -0.281 0.0766 0.07 -0.225 0.02808243902439 0.0352080120283126 -0.0104 -0.0708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P13 compound treatment -1.045 -0.7 -0.7 -1.004 -0.646 -0.6 -0.638 -0.38491756097561 -0.482585650946051 -1.0259 -0.9893 3213644 Ald1-H_000303 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P14 compound treatment 0.168 0.513 0.51 0.322 0.68 0.63 -0.591 -0.33791756097561 -0.423659979856958 0.4132 0.452 3213646 Ald1-H_000304 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P15 compound treatment -0.989 -0.644 -0.64 -0.512 -0.154 -0.14 -0.744 -0.49091756097561 -0.615481845317195 -0.8075 -0.8977 3213648 Ald1-H_000305 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)[C@H](O)[C@@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P16 compound treatment -0.623 -0.278 -0.28 0.314 0.672 0.62 -0.447 -0.19391756097561 -0.243121753541442 0.0591 0.0818 3213650 Ald1-H_000306 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO)[C@H](O)[C@@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P17 compound treatment -0.516 -0.171 -0.17 -0.766 -0.408 -0.38 -0.638 -0.38491756097561 -0.482585650946051 -0.5951 -0.9353 3213652 Ald1-H_000307 C/C(=N\NC(=O)CCCCCCC(=O)Nc1ccccc1O)/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P18 compound treatment -0.22 0.125 0.12 0.139 0.497 0.46 -0.135 0.11808243902439 0.14804440347551 0.4227 0.8475 3213654 Ald1-H_000308 C/C(=N\NC(=O)CCCCCCC(=O)NO)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P19 compound treatment 0.299 0.644 0.64 0.649 1.01 0.93 0.354 0.60708243902439 0.761122130338618 1.3472 0.9884 3213656 Ald1-H_000309 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P20 compound treatment 1.048 1.39 1.35 1.239 1.6 1.33 0.748 1.00108243902439 1.2550947773408 2.2723 0.9995 3213658 Ald1-H_000310 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P21 compound treatment -0.696 -0.351 -0.35 -0.147 0.211 0.2 -0.439 -0.18591756097561 -0.233091852079469 -0.2234 -0.4829 3213660 Ald1-H_000311 CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P22 compound treatment 0.079 0.424 0.42 0.199 0.557 0.52 0.058 0.31108243902439 0.390015776245612 0.7661 0.9928 3213662 Ald1-H_000312 CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P23 compound treatment -0.542 -0.197 -0.2 -0.128 0.23 0.21 -0.255 -0.00191756097561002 -0.0024041184540867 0.0083 0.0288 3213664 Ald1-H_000313 CN(CCO)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2131 P24 compound treatment 0.365 0.71 0.71 0.606 0.964 0.89 0.347 0.60008243902439 0.752345966559392 1.3571 0.9949 3213666 Ald1-H_000314 CN(CCO)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A01 compound treatment 0.085 0.43 0.43 -0.272 0.0856 0.08 0.479 0.73208243902439 0.917839340681949 0.8225 0.8099 3237406 Sulf1.1-A_000001 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A02 compound treatment -0.25 0.0951 0.09 -0.594 -0.236 -0.22 0.903 1.15608243902439 1.44942411816653 0.765 0.5208 3237380 Sulf1.1-A_000002 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3ccc(Cl)cc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A03 compound treatment 0.898 1.24 1.24 0.909 1.27 1.17 0.703 0.95608243902439 1.1986765816172 2.0827 0.9998 3237177 Sulf1.1-A_000003 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(cc3)c4ccccc4)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A04 compound treatment -0.135 0.21 0.21 0.291 0.649 0.6 -0.337 -0.08391756097561 -0.105210608439311 0.4066 0.6308 3237394 Sulf1.1-A_000004 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A05 compound treatment -0.174 0.171 0.17 0.127 0.485 0.45 -0.266 -0.01291756097561 -0.0161952329642998 0.3479 0.7246 3237332 Sulf1.1-A_000005 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A06 compound treatment -1.125 -0.78 -0.78 -1.092 -0.734 -0.68 -0.81 -0.55691756097561 -0.698228532378473 -1.2434 -0.9983 3237396 Sulf1.1-A_000006 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc(Cl)cc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A07 compound treatment -0.541 -0.196 -0.19 -0.168 0.19 0.18 0.081 0.33408243902439 0.418851742948785 0.2307 0.4669 3237257 Sulf1.1-A_000007 Cc1ccc(cc1)S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A08 compound treatment 0.202 0.547 0.54 0.171 0.529 0.49 0.261 0.51408243902439 0.644524525843181 0.9687 0.9935 3237153 Sulf1.1-A_000008 OCCOc1ccc(CN2CC[C@@H](C2)N3C(=O)c4ccccc4C3=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A09 compound treatment -0.306 0.0391 0.04 -0.507 -0.149 -0.14 0.221 0.47408243902439 0.594375018533315 0.2857 0.4673 3237428 Sulf1.1-A_000009 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A10 compound treatment -0.982 -0.637 -0.63 -0.724 -0.366 -0.34 -0.48 -0.22691756097561 -0.284495097072081 -0.7257 -0.9392 3237318 Sulf1.1-A_000010 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc34)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A11 compound treatment -0.241 0.104 0.1 1.005 1.36 1.26 0.687 0.94008243902439 1.17861677869325 1.4669 0.8492 3237197 Sulf1.1-A_000011 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A12 compound treatment -0.377 -0.0319 -0.03 -0.957 -0.599 -0.56 -0.439 -0.18591756097561 -0.233091852079469 -0.4733 -0.7852 3237446 Sulf1.1-A_000012 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A13 mock treatment -0.722 -0.377 -0.37 -1.768 -1.41 -1.31 -1.105 -0.85191756097561 -1.06808114878873 -1.587 -0.9183 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A14 mock treatment -0.705 -0.36 -0.36 -1.804 -1.45 -1.34 -1.12 -0.86691756097561 -1.08688721402993 -1.6073 -0.9125 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A15 compound treatment -0.303 0.0421 0.04 -0.683 -0.325 -0.3 -0.444 -0.19091756097561 -0.239360540493202 -0.288 -0.7441 3237240 Sulf1.1-A_000013 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3cccc(F)c3)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A16 compound treatment -0.7 -0.355 -0.35 -1.169 -0.811 -0.75 -2.231 -1.97791756097561 -2.47978977956145 -2.0692 -0.7913 3237246 Sulf1.1-A_000014 COc1ccc(cc1)S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A17 compound treatment -0.282 0.0631 0.06 0.021 0.379 0.35 -0.092 0.16108243902439 0.201955123833616 0.3552 0.8676 3237241 Sulf1.1-A_000015 CC(C)S(=O)(=O)NCC1CCN(Cc2ccc(OCCO)cc2)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A18 compound treatment -0.348 -0.00293 0.0 0.108 0.466 0.43 -0.355 -0.10191756097561 -0.127777886728751 0.1735 0.3857 3237449 Sulf1.1-A_000016 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A19 compound treatment -0.702 -0.357 -0.35 -0.594 -0.236 -0.22 -0.283 -0.02991756097561 -0.0375087735709926 -0.3529 -0.843 3237371 Sulf1.1-A_000017 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A20 compound treatment -0.283 0.0621 0.06 -0.029 0.329 0.3 -0.08 0.17308243902439 0.216999976026576 0.3366 0.8886 3237416 Sulf1.1-A_000018 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cccc(F)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A21 compound treatment -1.152 -0.807 -0.8 -1.633 -1.28 -1.18 -1.315 -1.06191756097561 -1.33136606216553 -1.9136 -0.9803 3237365 Sulf1.1-A_000019 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A22 compound treatment -1.095 -0.75 -0.75 -1.876 -1.52 -1.41 -0.982 -0.72891756097561 -0.913871413810896 -1.7698 -0.9644 3237151 Sulf1.1-A_000020 OCCOc1ccc(CN2CC[C@H](C2)N3C(=O)c4ccccc4C3=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A23 compound treatment -0.987 -0.642 -0.64 -1.163 -0.805 -0.75 -0.144 0.10908243902439 0.136760764330791 -0.7201 -0.7266 3237460 Sulf1.1-A_000021 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3ccc(cc3)c4ccccc4)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 A24 compound treatment -0.518 -0.173 -0.17 -2.326 -1.97 -1.82 -0.482 -0.22891756097561 -0.287002572437574 -1.3173 -0.7108 3237391 Sulf1.1-A_000022 CC(C)S(=O)(=O)NC1CCN(Cc2cccc(OCCO)c2)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B01 compound treatment 1.39 1.74 1.45 1.789 2.15 1.45 1.233 1.48608243902439 1.67647149875741 2.6429 0.9976 3237454 Sulf1.1-A_000023 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B02 mock treatment -0.225 0.12 0.12 -0.048 0.31 0.29 -0.189 0.06408243902439 0.0803425686071917 0.2808 0.8755 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B03 compound treatment -0.524 -0.179 -0.18 -0.252 0.106 0.1 -0.162 0.09108243902439 0.114193486041351 0.0197 0.0845 3237356 Sulf1.1-A_000024 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cccc(F)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B04 mock treatment 0.069 0.414 0.41 -0.1 0.258 0.24 -0.328 -0.07491756097561 -0.0939269692945916 0.3212 0.6622 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B05 compound treatment 0.112 0.457 0.45 2.021 2.38 1.49 1.366 1.61908243902439 1.7282665335022 2.1179 0.9114 3237374 Sulf1.1-A_000025 Cc1nc(cn1C)S(=O)(=O)NCC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B06 mock treatment 0.444 0.789 0.78 0.273 0.631 0.58 0.235 0.48808243902439 0.611927346091768 1.1433 0.9911 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B07 compound treatment -0.477 -0.132 -0.13 -0.632 -0.274 -0.25 -0.167 0.08608243902439 0.107924797627618 -0.1601 -0.5239 3237437 Sulf1.1-A_000026 Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B08 mock treatment -0.148 0.197 0.2 -0.079 0.279 0.26 -0.057 0.19608243902439 0.245835942729748 0.404 0.9934 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B09 compound treatment 0.064 0.409 0.41 -0.139 0.219 0.2 -0.169 0.08408243902439 0.105417322262125 0.4125 0.8846 3237320 Sulf1.1-A_000027 Cc1ccccc1S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B10 mock treatment -0.334 0.0111 0.01 -0.167 0.191 0.18 -0.029 0.22408243902439 0.280940597846654 0.2705 0.8147 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B11 compound treatment -0.048 0.297 0.3 0.405 0.763 0.71 0.167 0.42008243902439 0.526673183664996 0.8823 0.9496 3237427 Sulf1.1-A_000028 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B12 mock treatment -1.407 -1.06 -1.06 -1.453 -1.1 -1.01 -0.692 -0.43891756097561 -0.550287485814369 -1.5128 -0.9673 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B13 mock treatment -1.121 -0.776 -0.77 -1.261 -0.903 -0.84 -1.027 -0.77391756097561 -0.970289609534494 -1.4885 -0.9954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B14 mock treatment -0.845 -0.5 -0.5 -0.914 -0.556 -0.52 -0.633 -0.37991756097561 -0.476316962532317 -0.8594 -0.9995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B15 compound treatment -0.506 -0.161 -0.16 -0.132 0.226 0.21 -0.216 0.03708243902439 0.0464916511730324 0.0551 0.2061 3237372 Sulf1.1-A_000029 Cc1ccccc1S(=O)(=O)NCC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B16 mock treatment -0.345 6.6E-5 0.0 -0.862 -0.504 -0.47 -0.894 -0.64091756097561 -0.803542497729191 -0.7335 -0.7892 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B17 compound treatment -0.33 0.0151 0.01 -2.16 -1.8 -1.67 -1.369 -1.11591756097561 -1.39906789703385 -1.7627 -0.8094 3237289 Sulf1.1-A_000030 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B18 mock treatment 0.005 0.35 0.35 -0.337 0.0206 0.02 -0.304 -0.05091756097561 -0.0638372649086722 0.1751 0.4941 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B19 compound treatment -0.088 0.257 0.26 -0.106 0.252 0.23 0.291 0.54408243902439 0.68213665632558 0.6759 0.8838 3237235 Sulf1.1-A_000031 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B20 mock treatment -0.494 -0.149 -0.15 -0.636 -0.278 -0.26 -0.084 0.16908243902439 0.211985025295589 -0.1119 -0.3065 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B21 compound treatment -0.054 0.291 0.29 0.33 0.688 0.64 0.133 0.38608243902439 0.484046102451611 0.8141 0.9572 3237435 Sulf1.1-A_000032 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3cccc(F)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B22 mock treatment -0.133 0.212 0.21 -0.346 0.0116 0.01 0.117 0.37008243902439 0.463986299527664 0.3958 0.7765 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B23 compound treatment 0.128 0.473 0.47 0.453 0.811 0.75 0.351 0.60408243902439 0.757360917290378 1.1421 0.98 3237254 Sulf1.1-A_000033 Cc1nc(cn1C)S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 B24 mock treatment -0.481 -0.136 -0.14 -0.225 0.133 0.12 -0.188 0.06508243902439 0.0815963062899383 0.04 0.1999 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C01 compound treatment -0.724 -0.379 -0.38 0.147 0.505 0.47 -0.347 -0.09391756097561 -0.117747985266778 -0.0157 -0.0257 3237301 Sulf1.1-A_000034 CC(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(OCCO)cc2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C02 compound treatment -0.406 -0.0609 -0.06 -1.598 -1.24 -1.15 -0.052 0.20108243902439 0.252104631143482 -0.5525 -0.4693 3237158 Sulf1.1-A_000035 OCCOc1ccc(CN2CCC[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C03 compound treatment -0.844 -0.499 -0.5 -2.21 -1.85 -1.72 -0.988 -0.73491756097561 -0.921393839907375 -1.8086 -0.9002 3237256 Sulf1.1-A_000036 CC(C)S(=O)(=O)NC1CCN(Cc2ccc(OCCO)cc2)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C04 compound treatment 0.142 0.487 0.48 0.151 0.509 0.47 0.163 0.41608243902439 0.52165823293401 0.8526 0.9991 3237156 Sulf1.1-A_000037 OCCOc1ccc(CN2CCC[C@H](C2)N3C(=O)c4ccccc4C3=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C05 compound treatment -0.389 -0.0439 -0.04 -0.38 -0.0224 -0.02 0.169 0.42208243902439 0.52918065903049 0.2683 0.505 3237312 Sulf1.1-A_000038 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(cc3)c4ccccc4)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C06 compound treatment -0.23 0.115 0.11 0.357 0.715 0.66 0.577 0.83008243902439 1.04070563359112 1.0489 0.8469 3237455 Sulf1.1-A_000039 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3ccccc3[N+](=O)[O-])c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C07 compound treatment -0.269 0.0761 0.08 -0.021 0.337 0.31 -0.322 -0.06891756097561 -0.0864045431981117 0.1737 0.523 3237443 Sulf1.1-A_000040 Cc1ccc(F)cc1S(=O)(=O)N2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C08 compound treatment 0.564 0.909 0.9 0.021 0.379 0.35 0.002 0.25508243902439 0.3198064660118 0.9088 0.8903 3237464 Sulf1.1-A_000041 Cc1ccccc1S(=O)(=O)N2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C09 compound treatment 0.311 0.656 0.65 -0.061 0.297 0.27 0.623 0.87608243902439 1.09837756699747 1.1693 0.8949 3237452 Sulf1.1-A_000042 CC(C)S(=O)(=O)N1CCN(Cc2ccc(OCCO)cc2)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C10 compound treatment -0.883 -0.538 -0.53 -0.839 -0.481 -0.45 -0.752 -0.49891756097561 -0.625511746779168 -0.9273 -0.9907 3237191 Sulf1.1-A_000043 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc(F)c3)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C11 mock treatment -1.766 -1.42 -1.41 -1.538 -1.18 -1.09 -1.412 -1.15891756097561 -1.45297861739195 -2.2855 -0.9926 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C12 mock treatment -1.932 -1.59 -1.58 -1.402 -1.04 -0.97 -1.149 -0.89591756097561 -1.12324560682958 -2.1177 -0.9783 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C13 compound treatment -0.301 0.0441 0.04 -0.272 0.0856 0.08 -0.308 -0.05491756097561 -0.0688522156396587 0.0313 0.2752 3237189 Sulf1.1-A_000044 Cc1nc(cn1C)S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C14 compound treatment 0.219 0.564 0.56 0.815 1.17 1.09 -0.377 -0.12391756097561 -0.155360115749177 0.8609 0.6989 3237360 Sulf1.1-A_000045 Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C15 mock treatment -0.726 -0.381 -0.38 -1.237 -0.879 -0.81 -0.419 -0.16591756097561 -0.208017098424536 -0.8089 -0.8775 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C16 mock treatment -2.241 -1.9 -1.88 -3.448 -3.09 -2.86 -3.109 -2.85591756097561 -3.580571465013 -4.8076 -0.9701 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C17 compound treatment -0.561 -0.216 -0.21 -1.907 -1.55 -1.43 -0.093 0.16008243902439 0.200701386150869 -0.8364 -0.5711 3237358 Sulf1.1-A_000046 CC(C)S(=O)(=O)N[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C18 compound treatment 0.609 0.954 0.95 0.91 1.27 1.17 1.13 1.38308243902439 1.63241360423783 2.1677 0.9751 3237390 Sulf1.1-A_000047 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3cccc(F)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C19 compound treatment -0.476 -0.131 -0.13 -0.53 -0.172 -0.16 -0.358 -0.10491756097561 -0.131539099776991 -0.2433 -0.9954 3237243 Sulf1.1-A_000048 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C20 compound treatment -0.335 0.0101 0.01 -0.315 0.0426 0.04 -0.148 0.10508243902439 0.131745813599804 0.1046 0.7587 3237467 Sulf1.1-A_000049 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3cccc(F)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C21 compound treatment -0.521 -0.176 -0.17 -0.352 0.00561 0.01 0.298 0.55108243902439 0.690912820104806 0.3009 0.4222 3237185 Sulf1.1-A_000050 Cc1ccccc1S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C22 compound treatment 9.339 9.68 2.02 7.138 7.5 1.83 3.401 3.65408243902439 2.16174270122197 3.468 0.9977 3237163 Sulf1.1-A_000051 OCCOc1cccc(CN2CCC(CC2)N3C(=O)c4ccccc4C3=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C23 compound treatment -0.016 0.329 0.33 -0.096 0.262 0.24 0.369 0.62208243902439 0.779928195579818 0.779 0.8855 3237285 Sulf1.1-A_000052 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 C24 compound treatment 0.276 0.621 0.62 0.342 0.7 0.65 0.135 0.38808243902439 0.486553577817104 1.0114 0.9929 3237265 Sulf1.1-A_000053 Cc1ccc(F)cc1S(=O)(=O)N[C@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D01 compound treatment -0.19 0.155 0.15 -0.079 0.279 0.26 0.095 0.34808243902439 0.436404070507238 0.4899 0.9246 3237408 Sulf1.1-A_000054 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cccc4cccnc34)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D02 mock treatment 0.121 0.466 0.46 0.364 0.722 0.67 0.559 0.81208243902439 1.01813835530168 1.2411 0.9525 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D03 compound treatment 1.758 2.1 1.54 1.26 1.62 1.33 1.838 2.09108243902439 1.87678280024591 2.7408 0.9901 3237375 Sulf1.1-A_000055 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3cccc(F)c3)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D04 mock treatment -0.745 -0.4 -0.4 -0.193 0.165 0.15 -0.244 0.00908243902438999 0.0113869960561264 -0.135 -0.3169 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D05 compound treatment -0.17 0.175 0.17 0.682 1.04 0.96 0.117 0.37008243902439 0.463986299527664 0.9241 0.8536 3237458 Sulf1.1-A_000056 COc1ccc(cc1)S(=O)(=O)N2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D06 mock treatment -1.147 -0.802 -0.8 -0.533 -0.175 -0.16 -0.523 -0.26991756097561 -0.338405817430187 -0.7494 -0.8505 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D07 compound treatment -0.871 -0.526 -0.52 -0.537 -0.179 -0.17 -0.614 -0.36091756097561 -0.452495946560131 -0.659 -0.9267 3237247 Sulf1.1-A_000057 Cc1ccc(F)cc1S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D08 mock treatment -0.135 0.21 0.21 0.941 1.3 1.2 -0.02 0.23308243902439 0.292224236991374 0.9835 0.7837 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D09 compound treatment -0.147 0.198 0.2 -0.022 0.336 0.31 -0.071 0.18208243902439 0.228283615171295 0.4249 0.9814 3237279 Sulf1.1-A_000058 Cc1nc(cn1C)S(=O)(=O)N[C@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D10 mock treatment 0.158 0.503 0.5 0.071 0.429 0.4 -0.978 -0.72491756097561 -0.908856463079909 -0.0068 -0.0062 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D11 mock treatment -2.461 -2.12 -2.1 -1.427 -1.07 -0.99 -1.216 -0.96291756097561 -1.20724603157361 -2.4832 -0.9479 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D12 mock treatment -1.047 -0.702 -0.7 -0.373 -0.0154 -0.01 -0.287 -0.03391756097561 -0.0425237243019792 -0.4357 -0.623 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D13 compound treatment 0.261 0.606 0.6 0.274 0.632 0.58 -0.073 0.18008243902439 0.225776139805802 0.8159 0.9383 3237383 Sulf1.1-A_000059 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D14 mock treatment 0.135 0.48 0.48 -0.227 0.131 0.12 -0.382 -0.12891756097561 -0.16162880416291 0.2521 0.4864 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D15 mock treatment -1.646 -1.3 -1.29 -1.042 -0.684 -0.63 -1.391 -1.13791756097561 -1.42665012605427 -1.9363 -0.9551 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D16 mock treatment -0.896 -0.551 -0.55 -0.508 -0.15 -0.14 -0.499 -0.24591756097561 -0.308316113044267 -0.5746 -0.8926 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D17 compound treatment 0.178 0.523 0.52 0.728 1.09 1.01 0.753 1.00608243902439 1.26136346575453 1.6088 0.9494 3237175 Sulf1.1-A_000060 Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D18 mock treatment -0.298 0.0471 0.05 -0.387 -0.0294 -0.03 -0.285 -0.03191756097561 -0.0400162489364859 -0.0118 -0.1753 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D19 compound treatment -0.776 -0.431 -0.43 -0.443 -0.0854 -0.08 -0.267 -0.01391756097561 -0.0174489706470464 -0.3031 -0.6951 3237205 Sulf1.1-A_000061 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D20 mock treatment -0.279 0.0661 0.07 0.185 0.543 0.5 -0.068 0.18508243902439 0.232044828219535 0.462 0.8289 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D21 compound treatment -0.621 -0.276 -0.27 -0.16 0.198 0.18 -0.479 -0.22591756097561 -0.283241359389335 -0.2163 -0.4975 3237238 Sulf1.1-A_000062 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D22 mock treatment 0.037 0.382 0.38 -0.156 0.202 0.19 0.165 0.41808243902439 0.524165708299503 0.6297 0.9347 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D23 compound treatment -1.381 -1.04 -1.03 -0.53 -0.172 -0.16 -0.472 -0.21891756097561 -0.274465195610108 -0.8452 -0.7843 3237342 Sulf1.1-A_000063 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 D24 mock treatment -0.244 0.101 0.1 0.044 0.402 0.37 0.077 0.33008243902439 0.413836792217799 0.5116 0.905 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E01 mock treatment -0.835 -0.49 -0.49 -2.082 -1.72 -1.6 -1.001 -0.74791756097561 -0.937692429783082 -1.7444 -0.9111 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E02 mock treatment -2.178 -1.83 -1.82 -2.58 -2.22 -2.06 -1.202 -0.94891756097561 -1.18969370401516 -2.927 -0.9773 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E03 compound treatment -0.081 0.264 0.26 -0.221 0.137 0.13 -0.572 -0.31891756097561 -0.399838963884772 -0.0062 -0.0126 3237456 Sulf1.1-A_000064 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E04 compound treatment -0.666 -0.321 -0.32 -0.691 -0.333 -0.31 -0.936 -0.68291756097561 -0.85619948040455 -0.8568 -0.8883 3237281 Sulf1.1-A_000065 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cccc(F)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E05 compound treatment -0.425 -0.0799 -0.08 -0.369 -0.0114 -0.01 -0.591 -0.33791756097561 -0.423659979856958 -0.2966 -0.6878 3237430 Sulf1.1-A_000066 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E06 compound treatment -0.692 -0.347 -0.34 -0.542 -0.184 -0.17 -0.782 -0.52891756097561 -0.663123877261567 -0.6806 -0.8876 3237248 Sulf1.1-A_000067 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E07 compound treatment -0.422 -0.0769 -0.08 -0.023 0.335 0.31 -0.193 0.06008243902439 0.0753276178762051 0.1782 0.5435 3237392 Sulf1.1-A_000068 Cc1ccc(cc1)S(=O)(=O)NC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E08 compound treatment -0.607 -0.262 -0.26 -0.505 -0.147 -0.14 -0.391 -0.13791756097561 -0.17291244330763 -0.329 -0.9645 3237369 Sulf1.1-A_000069 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E09 mock treatment -1.369 -1.02 -1.02 -2.422 -2.06 -1.91 -0.93 -0.67691756097561 -0.84867705430807 -2.1813 -0.9378 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E10 mock treatment -1.677 -1.33 -1.32 -1.984 -1.63 -1.51 -1.337 -1.08391756097561 -1.35894829118595 -2.4186 -0.9984 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E11 compound treatment -0.609 -0.264 -0.26 -0.573 -0.215 -0.2 -0.105 0.14808243902439 0.18565653395791 -0.1595 -0.4215 3237294 Sulf1.1-A_000070 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(Cl)ccc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E12 compound treatment -1.876 -1.53 -1.52 -2.183 -1.83 -1.69 -1.345 -1.09191756097561 -1.36897819264793 -2.645 -0.9963 3237436 Sulf1.1-A_000071 CC(C)S(=O)(=O)N[C@@H]1CCN(Cc2cccc(OCCO)c2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E13 compound treatment 0.744 1.09 1.08 0.799 1.16 1.07 0.298 0.55108243902439 0.690912820104806 1.6423 0.9821 3237379 Sulf1.1-A_000072 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E14 compound treatment -1.141 -0.796 -0.79 -1.487 -1.13 -1.05 -0.771 -0.51791756097561 -0.649332762751354 -1.4355 -0.981 3237253 Sulf1.1-A_000073 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3ccc4ccccc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E15 compound treatment -0.189 0.156 0.16 -0.544 -0.186 -0.17 -0.322 -0.06891756097561 -0.0864045431981117 -0.0599 -0.2421 3237322 Sulf1.1-A_000074 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E16 compound treatment -0.636 -0.291 -0.29 -0.62 -0.262 -0.24 -0.737 -0.48391756097561 -0.606705681537968 -0.6575 -0.92 3237219 Sulf1.1-A_000075 Cc1nc(cn1C)S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E17 mock treatment -1.32 -0.975 -0.97 -1.151 -0.793 -0.73 -1.506 -1.25291756097561 -1.57082995957014 -1.8907 -0.9517 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E18 mock treatment -1.08 -0.735 -0.73 -0.791 -0.433 -0.4 -1.056 -0.80291756097561 -1.00664800233415 -1.2347 -0.9447 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E19 compound treatment -0.396 -0.0509 -0.05 -0.339 0.0186 0.02 -0.252 0.00108243902438998 0.00135709459415323 -0.0185 -0.3458 3237298 Sulf1.1-A_000076 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc4ccccc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E20 compound treatment -0.427 -0.0819 -0.08 0.045 0.403 0.37 -0.48 -0.22691756097561 -0.284495097072081 0.004 0.0083 3237439 Sulf1.1-A_000077 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E21 compound treatment 0.309 0.654 0.65 -0.239 0.119 0.11 0.076 0.32908243902439 0.412583054535052 0.677 0.8703 3237225 Sulf1.1-A_000078 Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E22 compound treatment -1.501 -1.16 -1.15 -1.862 -1.5 -1.39 -1.155 -0.90191756097561 -1.13076803292606 -2.1206 -0.9953 3237306 Sulf1.1-A_000079 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E23 compound treatment -0.312 0.0331 0.03 -0.418 -0.0604 -0.06 -0.084 0.16908243902439 0.211985025295589 0.1091 0.4921 3237420 Sulf1.1-A_000080 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 E24 compound treatment 0.142 0.487 0.48 -0.048 0.31 0.29 -0.071 0.18208243902439 0.228283615171295 0.5769 0.95 3237469 Sulf1.1-A_000081 Cc1ccc(cc1)S(=O)(=O)N2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F01 mock treatment -1.39 -1.04 -1.04 -2.085 -1.73 -1.6 -1.181 -0.92791756097561 -1.16336521267748 -2.1949 -0.9825 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F02 mock treatment -1.513 -1.17 -1.16 -2.375 -2.02 -1.87 -1.26 -1.00691756097561 -1.26241048961446 -2.4777 -0.977 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F03 compound treatment -0.128 0.217 0.22 0.505 0.863 0.8 0.442 0.69508243902439 0.871451046420323 1.0889 0.9061 3237364 Sulf1.1-A_000082 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3ccccc3)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F04 mock treatment -0.761 -0.416 -0.41 -1.201 -0.843 -0.78 -1.117 -0.86391756097561 -1.08312600098169 -1.315 -0.9407 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F05 compound treatment -0.266 0.0791 0.08 -0.357 6.1E-4 0.0 -0.01 0.24308243902439 0.304761613818841 0.2217 0.7043 3237352 Sulf1.1-A_000083 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc4ccccc4c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F06 mock treatment -0.23 0.115 0.11 -0.615 -0.257 -0.24 -0.439 -0.18591756097561 -0.233091852079469 -0.2061 -0.5849 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F07 compound treatment -0.433 -0.0879 -0.09 -0.658 -0.3 -0.28 -0.243 0.01008243902439 0.012640733738873 -0.2038 -0.6982 3237271 Sulf1.1-A_000084 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F08 mock treatment -0.381 -0.0359 -0.04 -0.527 -0.169 -0.16 -0.341 -0.08791756097561 -0.110225559170298 -0.1748 -0.8965 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F09 mock treatment -1.162 -0.817 -0.81 -2.062 -1.7 -1.58 -0.557 -0.30391756097561 -0.381032898643573 -1.6001 -0.8814 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F10 mock treatment -0.333 0.0121 0.01 -0.741 -0.383 -0.35 -0.364 -0.11091756097561 -0.139061525873471 -0.2783 -0.7296 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F11 compound treatment 1.668 2.01 1.52 2.344 2.7 1.53 0.963 1.21608243902439 1.52464837913132 2.6421 1.0 3237444 Sulf1.1-A_000085 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3ccc(cc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F12 mock treatment -0.459 -0.114 -0.11 -0.559 -0.201 -0.19 -0.207 0.04608243902439 0.0577752903177522 -0.1397 -0.619 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F13 compound treatment -0.176 0.169 0.17 -0.663 -0.305 -0.28 -0.464 -0.21091756097561 -0.264435294148135 -0.2189 -0.5186 3237438 Sulf1.1-A_000086 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F14 mock treatment -0.745 -0.4 -0.4 -1.133 -0.775 -0.72 -0.502 -0.24891756097561 -0.312077326092507 -0.8243 -0.9387 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F15 compound treatment 0.068 0.413 0.41 0.937 1.29 1.2 0.672 0.92508243902439 1.15981071345205 1.5988 0.9307 3237422 Sulf1.1-A_000087 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F16 mock treatment -0.67 -0.325 -0.32 -0.85 -0.492 -0.46 -0.967 -0.71391756097561 -0.895065348569696 -0.9665 -0.916 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F17 mock treatment -0.723 -0.378 -0.38 -2.064 -1.71 -1.58 -0.316 -0.06291756097561 -0.0788821171016319 -1.1747 -0.7224 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F18 mock treatment 0.263 0.608 0.6 -0.391 -0.0334 -0.03 -0.427 -0.17391756097561 -0.218046999886509 0.2053 0.3191 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F19 compound treatment 0.04 0.385 0.38 0.255 0.613 0.57 0.298 0.55108243902439 0.690912820104806 0.9474 0.9742 3237453 Sulf1.1-A_000088 Cc1ccc(cc1)S(=O)(=O)N2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F20 mock treatment -0.528 -0.183 -0.18 -0.765 -0.407 -0.38 -0.359 -0.10591756097561 -0.132792837459737 -0.3995 -0.9093 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F21 compound treatment -0.29 0.0551 0.05 -0.447 -0.0894 -0.08 -0.464 -0.21091756097561 -0.264435294148135 -0.1689 -0.5978 3237203 Sulf1.1-A_000089 COc1ccc(cc1)S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F22 mock treatment -0.965 -0.62 -0.62 -1.199 -0.841 -0.78 -0.594 -0.34091756097561 -0.427421192905198 -1.0524 -0.9732 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F23 compound treatment 2.124 2.47 1.6 2.82 3.18 1.59 1.44 1.69308243902439 1.75489915065025 2.8561 0.999 3237326 Sulf1.1-A_000090 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc(F)c3)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 F24 mock treatment -0.879 -0.534 -0.53 -1.169 -0.811 -0.75 -0.324 -0.07091756097561 -0.088912018563605 -0.7916 -0.8565 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G01 compound treatment 0.154 0.499 0.5 1.578 1.94 1.41 0.224 0.47708243902439 0.598136231581555 1.4435 0.8986 3237230 Sulf1.1-A_000091 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G02 compound treatment -0.117 0.228 0.23 -0.673 -0.315 -0.29 0.219 0.47208243902439 0.591867543167822 0.304 0.4356 3237376 Sulf1.1-A_000092 CC(C)S(=O)(=O)NCC1CCN(Cc2cccc(OCCO)c2)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G03 mock treatment -0.64 -0.295 -0.29 -0.446 -0.0884 -0.08 -0.209 0.04408243902439 0.0552678149522589 -0.1846 -0.5967 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G04 mock treatment -1.194 -0.849 -0.84 -1.892 -1.53 -1.42 -1.135 -0.88191756097561 -1.10569327927113 -1.9459 -0.9787 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G05 compound treatment -0.181 0.164 0.16 -0.657 -0.299 -0.28 0.165 0.41808243902439 0.524165708299503 0.2367 0.385 3237466 Sulf1.1-A_000093 Cc1nc(cn1C)S(=O)(=O)N2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G06 compound treatment -0.091 0.254 0.25 -0.338 0.0196 0.02 -0.07 0.18308243902439 0.229537352854042 0.2888 0.8451 3237165 Sulf1.1-A_000094 OCCOc1cccc(CN2CCC[C@H](C2)N3C(=O)c4ccccc4C3=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G07 compound treatment -0.391 -0.0459 -0.05 -0.702 -0.344 -0.32 -0.244 0.00908243902438999 0.0113869960561264 -0.2039 -0.6326 3237290 Sulf1.1-A_000095 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc(Cl)cc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G08 compound treatment -0.157 0.188 0.19 0.851 1.21 1.12 0.137 0.39008243902439 0.489061053182597 1.0364 0.8388 3237199 Sulf1.1-A_000096 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G09 compound treatment 0.015 0.36 0.36 -0.253 0.105 0.1 0.537 0.79008243902439 0.990556126281254 0.8345 0.789 3237213 Sulf1.1-A_000097 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cccc4cccnc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G10 compound treatment -1.138 -0.793 -0.79 -0.973 -0.615 -0.57 -0.763 -0.50991756097561 -0.639302861289381 -1.1532 -0.9908 3237354 Sulf1.1-A_000098 Cc1nc(cn1C)S(=O)(=O)N[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G11 compound treatment -0.831 -0.486 -0.48 -0.638 -0.28 -0.26 -0.581 -0.32791756097561 -0.411122603029492 -0.6662 -0.9719 3237348 Sulf1.1-A_000099 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cccc4cccnc34)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G12 compound treatment 0.165 0.51 0.51 0.477 0.835 0.77 0.282 0.53508243902439 0.67085301718086 1.1263 0.9861 3237154 Sulf1.1-A_000100 OCCOc1ccc(CN2CCC(CC2)N3C(=O)c4ccccc4C3=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G13 compound treatment -0.269 0.0761 0.08 0.026 0.384 0.36 0.15 0.40308243902439 0.505359643058304 0.5405 0.8685 3237231 Sulf1.1-A_000101 COc1ccc(cc1)S(=O)(=O)NCC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G14 compound treatment -0.801 -0.456 -0.45 -1.023 -0.665 -0.62 0.037 0.29008243902439 0.363687284907933 -0.4074 -0.4811 3237160 Sulf1.1-A_000102 OCCOc1cccc(CN2CC[C@H](C2)N3C(=O)c4ccccc4C3=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G15 compound treatment 0.607 0.952 0.95 0.462 0.82 0.76 0.476 0.72908243902439 0.914078127633709 1.5124 0.9956 3237336 Sulf1.1-A_000103 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc(Cl)cc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G16 compound treatment -0.928 -0.583 -0.58 -1.614 -1.26 -1.16 -0.807 -0.55391756097561 -0.694467319330233 -1.4072 -0.9549 3237258 Sulf1.1-A_000104 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G17 compound treatment -0.203 0.142 0.14 -0.186 0.172 0.16 0.599 0.85208243902439 1.06828786261155 0.7901 0.7253 3237440 Sulf1.1-A_000105 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G18 compound treatment 0.179 0.524 0.52 0.006 0.364 0.34 0.018 0.27108243902439 0.339866268935747 0.6914 0.9775 3237173 Sulf1.1-A_000106 COc1ccc(cc1)S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G19 mock treatment -1.29 -0.945 -0.94 -1.867 -1.51 -1.4 -1.408 -1.15491756097561 -1.44796366666097 -2.1853 -0.984 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G20 mock treatment -0.001 0.344 0.34 -1.095 -0.737 -0.68 -0.916 -0.66291756097561 -0.831124726749617 -0.6766 -0.5994 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G21 compound treatment -0.425 -0.0799 -0.08 0.194 0.552 0.51 0.063 0.31608243902439 0.396284464659346 0.4778 0.7336 3237368 Sulf1.1-A_000107 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3ccc(cc3)c4ccccc4)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G22 compound treatment -0.684 -0.339 -0.34 -0.636 -0.278 -0.26 -0.413 -0.15991756097561 -0.200494672328056 -0.4591 -0.9784 3237402 Sulf1.1-A_000108 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G23 compound treatment -0.019 0.326 0.32 -0.448 -0.0904 -0.08 -0.324 -0.07091756097561 -0.088912018563605 0.0875 0.2526 3237211 Sulf1.1-A_000109 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 G24 compound treatment -0.646 -0.301 -0.3 -0.94 -0.582 -0.54 -0.382 -0.12891756097561 -0.16162880416291 -0.5774 -0.9057 3237251 Sulf1.1-A_000110 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3cccc4cccnc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H01 compound treatment 0.274 0.619 0.62 -0.416 -0.0584 -0.05 0.268 0.52108243902439 0.653300689622407 0.7013 0.7799 3237316 Sulf1.1-A_000111 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H02 mock treatment 0.021 0.366 0.36 -0.344 0.0136 0.01 -0.137 0.11608243902439 0.145536928110017 0.3014 0.7686 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H03 mock treatment -1.914 -1.57 -1.56 -0.751 -0.393 -0.36 -1.192 -0.93891756097561 -1.17715632718769 -1.7905 -0.9007 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H04 mock treatment -0.903 -0.558 -0.55 -0.837 -0.479 -0.44 -0.305 -0.05191756097561 -0.0650910025914188 -0.6141 -0.8608 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H05 compound treatment -1.556 -1.21 -1.2 -1.917 -1.56 -1.44 -2.288 -2.03491756097561 -2.55125282747801 -3.0017 -0.9472 3237215 Sulf1.1-A_000112 Cc1ccccc1S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H06 mock treatment -0.21 0.135 0.13 -0.282 0.0756 0.07 -0.509 -0.25591756097561 -0.320853489871734 -0.0673 -0.1897 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H07 compound treatment -0.821 -0.476 -0.47 -0.861 -0.503 -0.47 -0.6 -0.34691756097561 -0.434943619001678 -0.7934 -0.9993 3237447 Sulf1.1-A_000113 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3cccc4cccnc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H08 mock treatment -0.486 -0.141 -0.14 0.859 1.22 1.13 0.228 0.48108243902439 0.603151182312542 0.9177 0.7139 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H09 compound treatment -0.979 -0.634 -0.63 -0.63 -0.272 -0.25 -0.44 -0.18691756097561 -0.234345589762216 -0.6448 -0.8979 3237209 Sulf1.1-A_000114 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cc(Cl)ccc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H10 mock treatment -0.026 0.319 0.32 0.158 0.516 0.48 0.024 0.27708243902439 0.347388695032227 0.6593 0.9837 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H11 compound treatment -0.616 -0.271 -0.27 -0.366 -0.00839 -0.01 -0.348 -0.09491756097561 -0.119001722949524 -0.2287 -0.7764 3237245 Sulf1.1-A_000115 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3ccc(Cl)cc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H12 mock treatment -0.433 -0.0879 -0.09 -0.081 0.277 0.26 0.101 0.35408243902439 0.443926496603718 0.3537 0.6803 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H13 compound treatment 0.746 1.09 1.08 -0.344 0.0136 0.01 0.223 0.47608243902439 0.596882493898808 0.9781 0.79 3237367 Sulf1.1-A_000116 Cc1ccc(F)cc1S(=O)(=O)NCC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H14 mock treatment 0.144 0.489 0.49 -0.096 0.262 0.24 0.202 0.45508243902439 0.570554002561129 0.75 0.952 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H15 compound treatment 3.594 3.94 1.77 1.996 2.35 1.48 2.947 3.20008243902439 2.09928680262139 3.0918 0.9902 3237250 Sulf1.1-A_000117 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H16 mock treatment -1.024 -0.679 -0.67 -0.536 -0.178 -0.17 -0.097 0.15608243902439 0.195686435419883 -0.3721 -0.5154 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H17 compound treatment 0.668 1.01 1.01 0.089 0.447 0.41 0.53 0.78308243902439 0.981779962502027 1.3871 0.9461 3237195 Sulf1.1-A_000118 Cc1ccc(cc1)S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H18 mock treatment -1.275 -0.93 -0.92 -0.879 -0.521 -0.48 -0.82 -0.56691756097561 -0.71076590920594 -1.2229 -0.9689 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H19 mock treatment -1.391 -1.05 -1.04 -1.909 -1.55 -1.44 -1.389 -1.13591756097561 -1.42414265068878 -2.2519 -0.9901 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H20 mock treatment -0.69 -0.345 -0.34 -0.102 0.256 0.24 -0.443 -0.18991756097561 -0.238106802810455 -0.1988 -0.4143 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H21 compound treatment -0.667 -0.322 -0.32 -0.424 -0.0664 -0.06 -0.369 -0.11591756097561 -0.145330214287204 -0.3042 -0.8524 3237330 Sulf1.1-A_000119 Cc1ccc(cc1)S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H22 mock treatment -0.29 0.0551 0.05 -0.017 0.341 0.32 0.084 0.33708243902439 0.422612955997025 0.4577 0.8633 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H23 compound treatment -1.409 -1.06 -1.06 -0.464 -0.106 -0.1 -0.356 -0.10291756097561 -0.129031624411498 -0.7421 -0.6934 3237275 Sulf1.1-A_000120 Cc1ccccc1S(=O)(=O)N[C@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 H24 mock treatment -0.071 0.274 0.27 -0.066 0.292 0.27 -0.045 0.20808243902439 0.260880794922708 0.4638 0.9998 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I01 compound treatment 0.048 0.393 0.39 -0.471 -0.113 -0.1 -0.223 0.03008243902439 0.0377154873938059 0.1868 0.4596 3237314 Sulf1.1-A_000121 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I02 compound treatment 0.147 0.492 0.49 -0.082 0.276 0.26 -0.09 0.16308243902439 0.204462599199109 0.5478 0.931 3237346 Sulf1.1-A_000122 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I03 compound treatment -0.313 0.0321 0.03 -0.662 -0.304 -0.28 -0.441 -0.18791756097561 -0.235599327444962 -0.2803 -0.7603 3237404 Sulf1.1-A_000123 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(Cl)ccc3Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I04 compound treatment -0.591 -0.246 -0.24 -0.56 -0.202 -0.19 -0.675 -0.42191756097561 -0.528973945207676 -0.5548 -0.9063 3237340 Sulf1.1-A_000124 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I05 mock treatment -0.643 -0.298 -0.3 -1.217 -0.859 -0.8 -0.324 -0.07091756097561 -0.088912018563605 -0.6818 -0.7986 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I06 mock treatment -0.465 -0.12 -0.12 -0.79 -0.432 -0.4 -1.106 -0.85291756097561 -1.06933488647148 -0.9174 -0.7991 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I07 compound treatment -0.42 -0.0749 -0.07 -0.108 0.25 0.23 0.016 0.26908243902439 0.337358793570253 0.2852 0.6861 3237334 Sulf1.1-A_000125 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I08 compound treatment 0.181 0.526 0.52 0.107 0.465 0.43 -0.115 0.13808243902439 0.173119157130443 0.6503 0.9303 3237162 Sulf1.1-A_000126 OCCOc1cccc(CN2CC[C@@H](C2)N3C(=O)c4ccccc4C3=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I09 compound treatment -0.523 -0.178 -0.18 -1.143 -0.785 -0.73 -0.507 -0.25391756097561 -0.318346014506241 -0.7058 -0.8678 3237468 Sulf1.1-A_000127 CC(C)S(=O)(=O)N1CCN(Cc2cccc(OCCO)c2)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I10 compound treatment 0.175 0.52 0.52 -0.73 -0.372 -0.34 -0.222 0.03108243902439 0.0389692250765525 0.1219 0.1958 3237295 Sulf1.1-A_000128 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I11 compound treatment -0.354 -0.00893 -0.01 -0.506 -0.148 -0.14 -0.291 -0.03791756097561 -0.0475386750329658 -0.1119 -0.7682 3237424 Sulf1.1-A_000129 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I12 compound treatment -0.634 -0.289 -0.29 -1.194 -0.836 -0.77 -0.274 -0.02091756097561 -0.0262251344262729 -0.6281 -0.76 3237287 Sulf1.1-A_000130 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I13 compound treatment 0.074 0.419 0.42 0.476 0.834 0.77 0.583 0.83608243902439 1.0482280596876 1.2914 0.9448 3237269 Sulf1.1-A_000131 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(Cl)ccc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I14 compound treatment 0.341 0.686 0.68 0.379 0.737 0.68 0.351 0.60408243902439 0.757360917290378 1.2248 0.9987 3237155 Sulf1.1-A_000132 OCCOc1ccc(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I15 compound treatment 0.155 0.5 0.5 0.597 0.955 0.88 0.077 0.33008243902439 0.413836792217799 1.0363 0.9461 3237463 Sulf1.1-A_000133 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3cccc4cccnc34)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I16 compound treatment -0.384 -0.0389 -0.04 -0.6 -0.242 -0.22 -0.51 -0.25691756097561 -0.32210722755448 -0.3379 -0.8565 3237410 Sulf1.1-A_000134 Cc1ccccc1S(=O)(=O)N[C@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I17 compound treatment 0.131 0.476 0.47 -1.08 -0.722 -0.67 -0.151 0.10208243902439 0.127984600551564 -0.039 -0.0471 3237385 Sulf1.1-A_000135 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I18 compound treatment -0.171 0.174 0.17 -0.18 0.178 0.16 -0.185 0.06808243902439 0.0853575193381783 0.2441 0.963 3237167 Sulf1.1-A_000136 OCCOc1cccc(CN2CCC[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I19 compound treatment 0.074 0.419 0.42 0.072 0.43 0.4 0.197 0.45008243902439 0.564285314147396 0.796 0.9871 3237450 Sulf1.1-A_000137 Cc1nc(cn1C)S(=O)(=O)N2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I20 compound treatment -0.432 -0.0869 -0.09 -0.517 -0.159 -0.15 -0.246 0.00708243902438999 0.00887952069063309 -0.13 -0.759 3237221 Sulf1.1-A_000138 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cccc(F)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I21 mock treatment -1.313 -0.968 -0.96 -2.531 -2.17 -2.01 -0.931 -0.67791756097561 -0.849930791990817 -2.2082 -0.925 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I22 mock treatment -1.572 -1.23 -1.22 -2.251 -1.89 -1.75 -0.942 -0.68891756097561 -0.86372190650103 -2.2151 -0.9615 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I23 compound treatment -0.858 -0.513 -0.51 -0.74 -0.382 -0.35 -0.51 -0.25691756097561 -0.32210722755448 -0.6848 -0.9791 3237187 Sulf1.1-A_000139 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 I24 compound treatment -0.122 0.223 0.22 0.831 1.19 1.1 0.0 0.25308243902439 0.317298990646307 0.9467 0.8114 3237393 Sulf1.1-A_000140 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J01 compound treatment -0.134 0.211 0.21 -0.403 -0.0454 -0.04 -0.796 -0.54291756097561 -0.68067620482002 -0.2961 -0.415 3237433 Sulf1.1-A_000141 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc4ccccc4c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J02 mock treatment -0.692 -0.347 -0.34 -1.308 -0.95 -0.88 -0.911 -0.65791756097561 -0.824856038335884 -1.1834 -0.9434 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J03 compound treatment -0.233 0.112 0.11 0.673 1.03 0.95 0.742 0.99508243902439 1.24757235124432 1.3356 0.8482 3237382 Sulf1.1-A_000142 Cc1ccc(F)cc1S(=O)(=O)NC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J04 mock treatment -0.284 0.0611 0.06 -0.746 -0.388 -0.36 -0.627 -0.37391756097561 -0.468794536435838 -0.4432 -0.7462 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J05 mock treatment -0.892 -0.547 -0.54 -2.844 -2.49 -2.3 -0.438 -0.18491756097561 -0.231838114396722 -1.777 -0.7476 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J06 mock treatment 0.108 0.453 0.45 -0.52 -0.162 -0.15 -0.482 -0.22891756097561 -0.287002572437574 0.0075 0.0136 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J07 compound treatment 0.335 0.68 0.68 0.078 0.436 0.4 0.262 0.51508243902439 0.645778263525927 0.9961 0.9782 3237388 Sulf1.1-A_000143 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3ccc4ccccc4c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J08 mock treatment -0.276 0.0691 0.07 -0.677 -0.319 -0.3 -0.234 0.01908243902439 0.0239243728835928 -0.1173 -0.3851 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J09 compound treatment 0.113 0.458 0.46 0.021 0.379 0.35 0.037 0.29008243902439 0.363687284907933 0.6753 0.9929 3237381 Sulf1.1-A_000144 COc1ccc(cc1)S(=O)(=O)NC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J10 mock treatment -0.768 -0.423 -0.42 -0.784 -0.426 -0.39 -0.388 -0.13491756097561 -0.16915123025939 -0.5684 -0.9456 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J11 compound treatment 1.064 1.41 1.36 1.133 1.49 1.3 0.689 0.94208243902439 1.18112425405874 2.2158 0.9983 3237373 Sulf1.1-A_000145 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J12 mock treatment -0.625 -0.28 -0.28 -0.425 -0.0674 -0.06 -0.028 0.22508243902439 0.282194335529401 -0.0338 -0.0842 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J13 compound treatment -0.192 0.153 0.15 -0.538 -0.18 -0.17 -0.665 -0.41191756097561 -0.51643656838021 -0.3067 -0.5442 3237412 Sulf1.1-A_000146 OCCOc1cccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc4ccccc4c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J14 mock treatment -0.465 -0.12 -0.12 -0.671 -0.313 -0.29 -0.533 -0.27991756097561 -0.350943194257653 -0.439 -0.9326 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J15 compound treatment 0.09 0.435 0.43 0.612 0.97 0.9 0.821 1.07408243902439 1.3466176281813 1.5455 0.9226 3237344 Sulf1.1-A_000147 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cc(Cl)ccc3Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J16 mock treatment -0.393 -0.0479 -0.05 -0.524 -0.166 -0.15 -1.062 -0.80891756097561 -1.01417042843063 -0.702 -0.6836 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J17 compound treatment 0.847 1.19 1.19 24.636 25.0 2.04 6.72 6.97308243902439 2.41939723380108 3.2597 0.9644 3237448 Sulf1.1-A_000148 Cc1ccccc1S(=O)(=O)N2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J18 mock treatment -0.187 0.158 0.16 -0.753 -0.395 -0.37 -0.954 -0.70091756097561 -0.87876675869399 -0.628 -0.6509 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J19 compound treatment -0.535 -0.19 -0.19 -0.375 -0.0174 -0.02 -0.348 -0.09491756097561 -0.119001722949524 -0.187 -0.8357 3237362 Sulf1.1-A_000149 OCCOc1cccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J20 mock treatment -0.507 -0.162 -0.16 -0.871 -0.513 -0.48 -0.215 0.03808243902439 0.047745388855779 -0.3398 -0.6741 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J21 mock treatment -1.671 -1.33 -1.32 -2.71 -2.35 -2.18 -1.866 -1.61291756097561 -2.02217552535893 -3.1861 -0.9799 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J22 mock treatment -1.196 -0.851 -0.85 -1.29 -0.932 -0.86 -0.42 -0.16691756097561 -0.209270836107283 -1.1077 -0.903 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J23 compound treatment -0.173 0.172 0.17 0.124 0.482 0.45 -0.02 0.23308243902439 0.292224236991374 0.5249 0.9375 3237283 Sulf1.1-A_000150 CC(C)S(=O)(=O)N[C@H]1CCN(Cc2ccc(OCCO)cc2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 J24 mock treatment -1.136 -0.791 -0.79 -0.933 -0.575 -0.53 -0.482 -0.22891756097561 -0.287002572437574 -0.9273 -0.9345 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K01 compound treatment -0.175 0.17 0.17 -0.4 -0.0424 -0.04 0.083 0.33608243902439 0.421359218314278 0.3182 0.6983 3237445 Sulf1.1-A_000151 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3cc(Cl)ccc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K02 compound treatment -1.054 -0.709 -0.7 -1.694 -1.34 -1.24 -0.49 -0.23691756097561 -0.297032473899548 -1.2928 -0.8887 3237164 Sulf1.1-A_000152 OCCOc1cccc(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K03 compound treatment -0.001 0.344 0.34 0.214 0.572 0.53 0.404 0.65708243902439 0.823809014475951 0.9787 0.9436 3237239 Sulf1.1-A_000153 Cc1nc(cn1C)S(=O)(=O)NCC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K04 compound treatment 0.226 0.571 0.57 -0.123 0.235 0.22 -0.091 0.16208243902439 0.203208861516363 0.5705 0.8901 3237465 Sulf1.1-A_000154 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K05 compound treatment -0.26 0.0851 0.08 -1.581 -1.22 -1.13 -0.099 0.15408243902439 0.19317896005439 -0.4937 -0.4284 3237233 Sulf1.1-A_000155 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3ccc(cc3)c4ccccc4)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K06 compound treatment -1.074 -0.729 -0.72 -2.078 -1.72 -1.59 -1.441 -1.18791756097561 -1.4893370101916 -2.198 -0.9565 3237201 Sulf1.1-A_000156 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc(Cl)cc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K07 mock treatment -1.445 -1.1 -1.09 -1.993 -1.64 -1.51 -1.837 -1.58391756097561 -1.98581713255927 -2.6521 -0.9728 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K08 mock treatment -1.194 -0.849 -0.84 -0.887 -0.529 -0.49 -1.079 -0.82591756097561 -1.03548396903732 -1.3681 -0.9615 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K09 compound treatment 0.978 1.32 1.32 0.921 1.28 1.18 0.142 0.39508243902439 0.49532974159633 1.7289 0.9408 3237297 Sulf1.1-A_000157 Cc1ccccc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K10 compound treatment 0.411 0.756 0.75 0.691 1.05 0.97 -0.279 -0.02591756097561 -0.0324938228400061 0.9758 0.7944 3237183 Sulf1.1-A_000158 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K11 compound treatment -0.155 0.19 0.19 -0.246 0.112 0.1 -0.416 -0.16291756097561 -0.204255885376296 0.0508 0.1713 3237171 Sulf1.1-A_000159 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K12 compound treatment 0.704 1.05 1.04 0.09 0.448 0.41 0.789 1.04208243902439 1.30649802233341 1.5957 0.9265 3237418 Sulf1.1-A_000160 CC(C)S(=O)(=O)N[C@H]1CCN(Cc2cccc(OCCO)c2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K13 compound treatment 0.647 0.992 0.99 -0.103 0.255 0.24 -0.13 0.12308243902439 0.154313091889244 0.7946 0.7747 3237386 Sulf1.1-A_000161 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3cccc4cccnc34)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K14 compound treatment -0.417 -0.0719 -0.07 -0.479 -0.121 -0.11 -0.106 0.14708243902439 0.184402796275163 3.0E-4 0.0012 3237261 Sulf1.1-A_000162 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc(Cl)cc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K15 mock treatment -0.863 -0.518 -0.51 -1.283 -0.925 -0.86 -0.6 -0.34691756097561 -0.434943619001678 -1.0431 -0.9568 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K16 mock treatment -0.841 -0.496 -0.49 -1.337 -0.979 -0.91 -1.142 -0.88891756097561 -1.11446944305036 -1.4517 -0.9556 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K17 compound treatment -0.172 0.173 0.17 0.78 1.14 1.05 1.645 1.89808243902439 1.82172737528315 1.7593 0.8332 3237223 Sulf1.1-A_000163 CC(C)S(=O)(=O)N[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K18 compound treatment 0.431 0.776 0.77 0.632 0.99 0.92 0.575 0.82808243902439 1.03819815822563 1.5739 0.9929 3237441 Sulf1.1-A_000164 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K19 compound treatment -0.506 -0.161 -0.16 -0.569 -0.211 -0.2 -0.445 -0.19191756097561 -0.240614278175949 -0.3443 -0.9865 3237400 Sulf1.1-A_000165 Cc1ccc(F)cc1S(=O)(=O)N[C@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K20 compound treatment 0.517 0.862 0.86 0.235 0.593 0.55 -0.439 -0.18591756097561 -0.233091852079469 0.677 0.6485 3237398 Sulf1.1-A_000166 COc1ccc(cc1)S(=O)(=O)N[C@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K21 compound treatment -0.194 0.151 0.15 -0.191 0.167 0.15 -0.389 -0.13591756097561 -0.170404967942137 0.0774 0.2819 3237299 Sulf1.1-A_000167 Cc1nc(cn1C)S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K22 compound treatment -1.431 -1.09 -1.08 -1.439 -1.08 -1.0 -1.259 -1.00591756097561 -1.26115675193172 -1.9295 -0.9953 3237277 Sulf1.1-A_000168 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc4ccccc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K23 mock treatment -2.017 -1.67 -1.66 -1.166 -0.808 -0.75 -1.26 -1.00691756097561 -1.26241048961446 -2.1207 -0.9564 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 K24 mock treatment -1.446 -1.1 -1.09 -0.849 -0.491 -0.46 -0.889 -0.63591756097561 -0.797273809315458 -1.3549 -0.9485 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L01 compound treatment 2.518 2.86 1.66 0.426 0.784 0.73 0.399 0.65208243902439 0.817540326062217 1.8501 0.9303 3237324 Sulf1.1-A_000169 Cc1nc(cn1C)S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L02 mock treatment -0.122 0.223 0.22 -0.008 0.35 0.32 -0.002 0.25108243902439 0.314791515280814 0.4967 0.9873 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L03 compound treatment -0.26 0.0851 0.08 0.449 0.807 0.75 -0.222 0.03108243902439 0.0389692250765525 0.5025 0.6677 3237179 Sulf1.1-A_000170 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L04 mock treatment -0.407 -0.0619 -0.06 -0.219 0.139 0.13 -0.28 -0.02691756097561 -0.0337475605227528 0.0191 0.1303 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L05 compound treatment 0.37 0.715 0.71 -0.019 0.339 0.31 -0.153 0.10008243902439 0.125477125186071 0.6639 0.8435 3237242 Sulf1.1-A_000171 Cc1ccc(cc1)S(=O)(=O)NCC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L06 mock treatment -1.717 -1.37 -1.36 -0.878 -0.52 -0.48 -0.897 -0.64391756097561 -0.807303710777431 -1.5318 -0.9247 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L07 mock treatment -2.154 -1.81 -1.8 -1.941 -1.58 -1.47 -1.443 -1.18991756097561 -1.4918444855571 -2.7461 -0.9955 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L08 mock treatment -0.414 -0.0689 -0.07 -0.31 0.0476 0.04 -0.305 -0.05191756097561 -0.0650910025914188 -0.0517 -0.4957 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L09 compound treatment -2.073 -1.73 -1.72 -1.728 -1.37 -1.27 -1.087 -0.83391756097561 -1.04551387049929 -2.328 -0.979 3237293 Sulf1.1-A_000172 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L10 mock treatment 0.247 0.592 0.59 -0.049 0.309 0.29 0.059 0.31208243902439 0.391269513928359 0.7307 0.9585 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L11 compound treatment 0.278 0.623 0.62 0.557 0.915 0.85 0.378 0.63108243902439 0.791211834724538 1.3034 0.9918 3237255 Sulf1.1-A_000173 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3cccc(F)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L12 mock treatment 0.014 0.359 0.36 0.024 0.382 0.35 0.129 0.38208243902439 0.479031151720624 0.6867 0.9893 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L13 compound treatment 1.771 2.12 1.54 0.265 0.623 0.58 0.952 1.20508243902439 1.51085726462111 2.0946 0.9378 3237296 Sulf1.1-A_000174 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cccc4cccnc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L14 mock treatment -0.074 0.271 0.27 0.051 0.409 0.38 0.029 0.28208243902439 0.35365738344596 0.5782 0.9904 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L15 mock treatment -1.015 -0.67 -0.67 -1.018 -0.66 -0.61 -1.451 -1.19791756097561 -1.50187438701907 -1.6047 -0.9154 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L16 mock treatment -0.021 0.324 0.32 -0.262 0.0956 0.09 -0.905 -0.65191756097561 -0.817333612239404 -0.2348 -0.2659 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L17 compound treatment 0.92 1.27 1.26 0.295 0.653 0.6 0.119 0.37208243902439 0.466493774893158 1.3443 0.9137 3237338 Sulf1.1-A_000175 COc1ccc(cc1)S(=O)(=O)N[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L18 mock treatment -1.176 -0.831 -0.83 -0.648 -0.29 -0.27 -0.665 -0.41191756097561 -0.51643656838021 -0.9303 -0.9205 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L19 compound treatment -0.852 -0.507 -0.5 -0.569 -0.211 -0.2 -0.456 -0.20291756097561 -0.254405392686162 -0.5509 -0.9219 3237459 Sulf1.1-A_000176 Cc1ccc(F)cc1S(=O)(=O)N2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L20 mock treatment -0.797 -0.452 -0.45 -0.594 -0.236 -0.22 -0.461 -0.20791756097561 -0.260674081099895 -0.5363 -0.9514 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L21 compound treatment -2.092 -1.75 -1.74 -1.345 -0.987 -0.91 -1.302 -1.04891756097561 -1.31506747228982 -2.2898 -0.9692 3237267 Sulf1.1-A_000177 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L22 mock treatment -0.055 0.29 0.29 -0.025 0.333 0.31 -0.061 0.19208243902439 0.240820991998762 0.4833 0.9949 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L23 mock treatment -0.862 -0.517 -0.51 -1.121 -0.763 -0.71 -0.698 -0.44491756097561 -0.557809911910849 -1.0269 -0.9904 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 L24 mock treatment -0.003 0.342 0.34 0.055 0.413 0.38 -0.057 0.19608243902439 0.245835942729748 0.5589 0.9848 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M01 compound treatment -0.156 0.189 0.19 -1.398 -1.04 -0.96 -1.103 -0.84991756097561 -1.06557367342324 -1.0629 -0.7337 3237244 Sulf1.1-A_000178 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M02 compound treatment -0.791 -0.446 -0.44 -1.127 -0.769 -0.71 -1.228 -0.97491756097561 -1.22229088376657 -1.373 -0.9261 3237308 Sulf1.1-A_000179 COc1ccc(cc1)S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M03 compound treatment -0.025 0.32 0.32 0.992 1.35 1.25 0.031 0.28408243902439 0.356164858811453 1.1108 0.8303 3237252 Sulf1.1-A_000180 Cc1ccccc1S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M04 compound treatment -0.33 0.0151 0.01 -0.568 -0.21 -0.19 0.275 0.52808243902439 0.662076853401634 0.2784 0.4033 3237470 Sulf1.1-A_000181 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M05 compound treatment 0.355 0.7 0.7 -0.218 0.14 0.13 0.046 0.29908243902439 0.374970924052653 0.6929 0.865 3237431 Sulf1.1-A_000182 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3cccc4cccnc34)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M06 compound treatment -0.216 0.129 0.13 -0.22 0.138 0.13 0.061 0.31408243902439 0.393776989293852 0.375 0.8654 3237350 Sulf1.1-A_000183 Cc1ccccc1S(=O)(=O)N[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M07 compound treatment -0.851 -0.506 -0.5 -0.503 -0.145 -0.13 -0.289 -0.03591756097561 -0.0450311996674725 -0.3941 -0.7541 3237259 Sulf1.1-A_000184 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M08 compound treatment 0.688 1.03 1.03 0.641 0.999 0.92 0.414 0.66708243902439 0.836346391303417 1.6097 0.9965 3237378 Sulf1.1-A_000185 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M09 mock treatment -1.328 -0.983 -0.98 -2.369 -2.01 -1.86 -0.925 -0.67191756097561 -0.842408365894337 -2.1258 -0.9383 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M10 mock treatment -1.712 -1.37 -1.36 -1.904 -1.55 -1.43 -0.942 -0.68891756097561 -0.86372190650103 -2.11 -0.9792 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M11 compound treatment -0.296 0.0491 0.05 -0.079 0.279 0.26 0.204 0.45708243902439 0.573061477926622 0.508 0.8059 3237227 Sulf1.1-A_000186 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M12 compound treatment 0.088 0.433 0.43 -0.668 -0.31 -0.29 0.109 0.36208243902439 0.453956398065691 0.3447 0.5007 3237234 Sulf1.1-A_000187 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M13 mock treatment -1.055 -0.71 -0.71 -3.233 -2.88 -2.66 -1.916 -1.66291756097561 -2.08486240949626 -3.1484 -0.9114 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M14 mock treatment -1.087 -0.742 -0.74 -2.642 -2.28 -2.12 -1.687 -1.43391756097561 -1.79775648014728 -2.685 -0.9348 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M15 compound treatment -0.109 0.236 0.23 1.136 1.49 1.3 -0.29 -0.03691756097561 -0.0462849373502192 0.8584 0.6502 3237462 Sulf1.1-A_000188 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3ccc(Cl)c(Cl)c3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M16 compound treatment 0.395 0.74 0.74 1.127 1.48 1.3 4.165 4.41808243902439 2.24530061162333 2.4693 0.9163 3237169 Sulf1.1-A_000189 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccccc3)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M17 compound treatment -0.399 -0.0539 -0.05 -0.938 -0.58 -0.54 -1.266 -1.01291756097561 -1.26993291571094 -1.0744 -0.7786 3237377 Sulf1.1-A_000190 Cc1ccc(cc1)S(=O)(=O)NCC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M18 compound treatment 23.358 23.7 2.18 6.447 6.8 1.8 15.82 16.0730824390244 2.65749966506454 3.8363 0.9878 3237217 Sulf1.1-A_000191 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc4ccccc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M19 compound treatment -0.726 -0.381 -0.38 -0.534 -0.176 -0.16 -0.394 -0.14091756097561 -0.17667365635587 -0.4149 -0.9248 3237291 Sulf1.1-A_000192 COc1ccc(cc1)S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M20 compound treatment -0.614 -0.269 -0.27 -0.356 0.00161 0.0 -0.361 -0.10791756097561 -0.135300312825231 -0.2316 -0.773 3237442 Sulf1.1-A_000193 COc1ccc(cc1)S(=O)(=O)N2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M21 compound treatment 0.219 0.564 0.56 0.217 0.575 0.53 0.044 0.29708243902439 0.372463448687159 0.846 0.9859 3237302 Sulf1.1-A_000194 Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M22 compound treatment 0.158 0.503 0.5 0.259 0.617 0.57 0.074 0.32708243902439 0.410075579169559 0.8551 0.9912 3237370 Sulf1.1-A_000195 OCCOc1cccc(CN2CCC(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M23 compound treatment 0.307 0.652 0.65 0.049 0.407 0.38 -0.029 0.22408243902439 0.280940597846654 0.7538 0.9416 3237303 Sulf1.1-A_000196 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 M24 compound treatment 1.214 1.56 1.41 2.2 2.56 1.51 0.859 1.11208243902439 1.39425966012567 2.49 0.9993 3237229 Sulf1.1-A_000197 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N01 compound treatment -0.164 0.181 0.18 -1.015 -0.657 -0.61 -0.695 -0.44191756097561 -0.554048698862609 -0.5674 -0.6734 3237387 Sulf1.1-A_000198 Cc1ccccc1S(=O)(=O)NC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N02 mock treatment -0.608 -0.263 -0.26 -1.033 -0.675 -0.63 -0.688 -0.43491756097561 -0.545272535083383 -0.8268 -0.9504 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N03 compound treatment -0.016 0.329 0.33 -0.077 0.281 0.26 0.371 0.62408243902439 0.782435670945311 0.7906 0.8914 3237207 Sulf1.1-A_000199 OCCOc1ccc(CN2CCC[C@H](C2)NS(=O)(=O)c3ccc(cc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N04 mock treatment -0.585 -0.24 -0.24 -0.685 -0.327 -0.3 -0.984 -0.73091756097561 -0.916378889176389 -0.8418 -0.8467 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N05 compound treatment 0.132 0.477 0.47 -0.33 0.0276 0.03 0.41 0.66308243902439 0.83133144057243 0.7686 0.8027 3237249 Sulf1.1-A_000200 OCCOc1ccc(CN2CCC(CC2)NS(=O)(=O)c3cc(Cl)ccc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N06 mock treatment -0.012 0.333 0.33 -0.486 -0.128 -0.12 -0.658 -0.40491756097561 -0.507660404600984 -0.1706 -0.2761 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N07 compound treatment -0.089 0.256 0.25 0.809 1.17 1.08 0.369 0.62208243902439 0.779928195579818 1.2209 0.9001 3237236 Sulf1.1-A_000201 OCCOc1ccc(CN2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N08 mock treatment -0.493 -0.148 -0.15 -0.492 -0.134 -0.12 -0.434 -0.18091756097561 -0.226823163665736 -0.2877 -0.9668 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N09 mock treatment -1.689 -1.34 -1.34 -2.546 -2.19 -2.03 -1.481 -1.22791756097561 -1.53948651750147 -2.8301 -0.9847 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N10 mock treatment -0.377 -0.0319 -0.03 -0.278 0.0796 0.07 0.099 0.35208243902439 0.441419021238225 0.2791 0.622 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N11 mock treatment -2.743 -2.4 -2.38 -2.069 -1.71 -1.58 -1.006 -0.75291756097561 -0.943961118196815 -2.8363 -0.941 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N12 mock treatment -0.18 0.165 0.16 0.09 0.448 0.41 -0.037 0.21608243902439 0.270910696384681 0.4904 0.9402 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N13 mock treatment -1.479 -1.13 -1.13 -2.408 -2.05 -1.9 -1.791 -1.53791756097561 -1.92814519915293 -2.8602 -0.9757 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N14 mock treatment -0.519 -0.174 -0.17 -1.0 -0.642 -0.59 -0.417 -0.16391756097561 -0.205509623059043 -0.5619 -0.861 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N15 mock treatment -0.775 -0.43 -0.43 -1.37 -1.01 -0.94 -0.972 -0.71891756097561 -0.901334036983429 -1.3084 -0.9558 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N16 mock treatment -0.587 -0.242 -0.24 -0.65 -0.292 -0.27 -0.846 -0.59291756097561 -0.743363088957352 -0.7244 -0.876 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N17 mock treatment -0.123 0.222 0.22 -1.791 -1.43 -1.33 -0.531 -0.27791756097561 -0.34843571889216 -0.84 -0.6044 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N18 mock treatment -0.235 0.11 0.11 -0.162 0.196 0.18 -0.647 -0.39391756097561 -0.49386929009077 -0.1174 -0.2185 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N19 mock treatment -0.921 -0.576 -0.57 -1.803 -1.45 -1.34 -1.675 -1.42191756097561 -1.78271162795432 -2.1325 -0.9266 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N20 mock treatment -0.611 -0.266 -0.26 -0.33 0.0276 0.03 0.053 0.30608243902439 0.383747087831879 0.0837 0.1793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N21 mock treatment -2.003 -1.66 -1.65 -2.332 -1.97 -1.83 -1.616 -1.36291756097561 -1.70874110467227 -2.9937 -0.9991 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N22 mock treatment -0.883 -0.538 -0.53 -0.823 -0.465 -0.43 -0.344 -0.09091756097561 -0.113986772218538 -0.6234 -0.8954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N23 mock treatment -2.784 -2.44 -2.42 -1.73 -1.37 -1.27 -1.159 -0.90591756097561 -1.13578298365705 -2.7893 -0.9411 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 N24 mock treatment -0.326 0.0191 0.02 -0.308 0.0496 0.05 -0.075 0.17808243902439 0.223268664440309 0.1664 0.7274 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O01 compound treatment -0.847 -0.502 -0.5 -0.356 0.00161 0.0 0.108 0.36108243902439 0.452702660382944 -0.0259 -0.0384 3237273 Sulf1.1-A_000202 OCCOc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cccc4cccnc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O02 compound treatment -0.38 -0.0349 -0.03 -0.883 -0.525 -0.49 -0.343 -0.08991756097561 -0.112733034535791 -0.366 -0.7312 3237426 Sulf1.1-A_000203 COc1ccc(cc1)S(=O)(=O)N[C@@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O03 compound treatment -0.136 0.209 0.21 -0.085 0.273 0.25 0.073 0.32608243902439 0.408821841486812 0.5018 0.9585 3237429 Sulf1.1-A_000204 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(Cl)ccc3Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O04 compound treatment 0.021 0.366 0.36 0.236 0.594 0.55 0.56 0.81308243902439 1.01939209298443 1.116 0.9193 3237432 Sulf1.1-A_000205 Cc1ccccc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O05 compound treatment 0.104 0.449 0.45 1.097 1.45 1.29 0.57 0.82308243902439 1.03192946981189 1.5966 0.9342 3237425 Sulf1.1-A_000206 OCCOc1cccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccc(Cl)cc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O06 compound treatment -0.166 0.179 0.18 -0.167 0.191 0.18 -0.439 -0.18591756097561 -0.233091852079469 0.0701 0.2048 3237304 Sulf1.1-A_000207 OCCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccccc3)C2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O07 compound treatment 0.003 0.348 0.35 0.189 0.547 0.51 0.294 0.54708243902439 0.68589786937382 0.888 0.9652 3237232 Sulf1.1-A_000208 Cc1ccc(F)cc1S(=O)(=O)NCC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O08 compound treatment 0.083 0.428 0.43 0.091 0.449 0.42 0.326 0.57908243902439 0.726017475221713 0.9047 0.964 3237328 Sulf1.1-A_000209 CC(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O09 compound treatment 1.097 1.44 1.37 0.372 0.73 0.68 0.037 0.29008243902439 0.363687284907933 1.391 0.8859 3237366 Sulf1.1-A_000210 COc1ccc(cc1)S(=O)(=O)NCC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O10 compound treatment -0.269 0.0761 0.08 0.112 0.47 0.43 0.388 0.64108243902439 0.803749211552004 0.7588 0.8275 3237292 Sulf1.1-A_000211 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O11 mock treatment -1.696 -1.35 -1.34 -1.046 -0.688 -0.64 -1.113 -0.85991756097561 -1.07811105025071 -1.7659 -0.9616 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O12 mock treatment -1.414 -1.07 -1.06 -1.153 -0.795 -0.74 -1.161 -0.90791756097561 -1.13829045902254 -1.696 -0.9845 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O13 compound treatment 0.937 1.28 1.27 0.42 0.778 0.72 0.266 0.51908243902439 0.650793214256914 1.5273 0.9534 3237389 Sulf1.1-A_000212 Cc1nc(cn1C)S(=O)(=O)NC2CCN(Cc3cccc(OCCO)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O14 compound treatment -0.795 -0.45 -0.45 -1.803 -1.45 -1.34 -0.096 0.15708243902439 0.196940173102629 -0.9172 -0.6438 3237457 Sulf1.1-A_000213 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O15 compound treatment -0.239 0.106 0.11 -0.373 -0.0154 -0.01 0.021 0.27408243902439 0.343627481983987 0.251 0.6979 3237181 Sulf1.1-A_000214 OCCOc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O16 compound treatment 0.781 1.13 1.12 -0.117 0.241 0.22 0.133 0.38608243902439 0.484046102451611 1.0544 0.8505 3237310 Sulf1.1-A_000215 Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O17 compound treatment -0.14 0.205 0.2 0.765 1.12 1.04 0.59 0.84308243902439 1.05700422346683 1.3281 0.8875 3237451 Sulf1.1-A_000216 OCCOc1ccc(CN2CCN(CC2)S(=O)(=O)c3cccc(F)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O18 compound treatment 0.309 0.654 0.65 0.499 0.857 0.79 0.596 0.84908243902439 1.06452664956331 1.448 0.9795 3237434 Sulf1.1-A_000217 Cc1nc(cn1C)S(=O)(=O)N[C@@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O19 compound treatment 0.353 0.698 0.69 0.401 0.759 0.7 0.292 0.54508243902439 0.683390394008327 1.2008 0.9999 3237263 Sulf1.1-A_000218 COc1ccc(cc1)S(=O)(=O)N[C@H]2CCN(Cc3ccc(OCCO)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O20 compound treatment -0.458 -0.113 -0.11 -0.444 -0.0864 -0.08 -0.367 -0.11391756097561 -0.142822738921711 -0.1935 -0.9746 3237300 Sulf1.1-A_000219 OCCOc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cccc(F)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O21 compound treatment 0.437 0.782 0.78 0.449 0.807 0.75 -0.005 0.24808243902439 0.311030302232574 1.0597 0.9444 3237461 Sulf1.1-A_000220 OCCOc1cccc(CN2CCN(CC2)S(=O)(=O)c3cc(Cl)ccc3Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O22 compound treatment -0.866 -0.521 -0.52 -0.439 -0.0814 -0.08 -0.238 0.01508243902439 0.0189094221526062 -0.3316 -0.6332 3237237 Sulf1.1-A_000221 Cc1ccccc1S(=O)(=O)NCC2CCN(Cc3ccc(OCCO)cc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O23 compound treatment -0.769 -0.424 -0.42 -0.267 0.0906 0.08 -0.804 -0.55091756097561 -0.690706106281993 -0.5937 -0.7298 3237384 Sulf1.1-A_000222 OCCOc1cccc(CN2CCC(CC2)NS(=O)(=O)c3cc(Cl)ccc3Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 O24 compound treatment 0.207 0.552 0.55 0.07 0.428 0.4 0.49 0.74308243902439 0.931630455192162 1.0834 0.9408 3237414 Sulf1.1-A_000223 Cc1nc(cn1C)S(=O)(=O)N[C@H]2CCN(Cc3cccc(OCCO)c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P01 mock treatment -1.1 -0.755 -0.75 -0.725 -0.367 -0.34 -0.317 -0.06391756097561 -0.0801358547843785 -0.676 -0.8165 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P02 mock treatment -0.266 0.0791 0.08 -0.47 -0.112 -0.1 -0.455 -0.20191756097561 -0.253151655003415 -0.1609 -0.5649 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P03 mock treatment -1.024 -0.679 -0.67 -0.875 -0.517 -0.48 -1.167 -0.91391756097561 -1.14581288511902 -1.3278 -0.9394 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P04 mock treatment -0.617 -0.272 -0.27 -0.305 0.0526 0.05 -0.143 0.11008243902439 0.138014502013537 -0.0483 -0.157 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P05 mock treatment -2.004 -1.66 -1.65 -1.421 -1.06 -0.98 -1.119 -0.86591756097561 -1.08563347634719 -2.1475 -0.9733 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P06 mock treatment -0.793 -0.448 -0.45 -0.459 -0.101 -0.09 -0.386 -0.13291756097561 -0.166643754893897 -0.4075 -0.8408 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P07 mock treatment -1.303 -0.958 -0.95 -1.473 -1.12 -1.03 -1.378 -1.12491756097561 -1.41035153617857 -1.9604 -0.9848 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P08 mock treatment -0.438 -0.0929 -0.09 -0.805 -0.447 -0.41 -0.4 -0.14691756097561 -0.18419608245235 -0.3989 -0.8621 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P09 mock treatment -1.234 -0.889 -0.88 -0.759 -0.401 -0.37 -1.04 -0.78691756097561 -0.986588199410201 -1.2944 -0.9409 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P10 mock treatment -0.247 0.0981 0.1 -0.035 0.323 0.3 -0.055 0.19808243902439 0.248343418095242 0.3721 0.9291 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P11 mock treatment -2.381 -2.04 -2.02 -1.102 -0.744 -0.69 -1.028 -0.77491756097561 -0.971543347217241 -2.1275 -0.9059 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P12 mock treatment -0.718 -0.373 -0.37 -0.411 -0.0534 -0.05 -0.34 -0.08691756097561 -0.108971821487551 -0.3055 -0.7842 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P13 mock treatment -1.577 -1.23 -1.22 -1.309 -0.951 -0.88 -1.078 -0.82491756097561 -1.03423023135457 -1.8128 -0.9911 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P14 mock treatment -0.283 0.0621 0.06 -0.218 0.14 0.13 -0.325 -0.07191756097561 -0.0901657562463517 0.0582 0.3439 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P15 mock treatment -0.865 -0.52 -0.52 -0.777 -0.419 -0.39 -0.576 -0.32291756097561 -0.404853914615759 -0.7564 -0.9916 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P16 mock treatment -0.682 -0.337 -0.33 -0.424 -0.0664 -0.06 -0.377 -0.12391756097561 -0.155360115749177 -0.3186 -0.8511 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P17 mock treatment -1.154 -0.809 -0.8 -1.133 -0.775 -0.72 -0.504 -0.25091756097561 -0.314584801458001 -1.0605 -0.9443 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P18 mock treatment -1.198 -0.853 -0.85 -0.478 -0.12 -0.11 -0.973 -0.71991756097561 -0.902587774666176 -1.075 -0.8646 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P19 mock treatment -0.354 -0.00893 -0.01 -0.875 -0.517 -0.48 -0.956 -0.70291756097561 -0.881274234059483 -0.7905 -0.7881 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P20 mock treatment -0.259 0.0861 0.09 -0.185 0.173 0.16 -0.416 -0.16291756097561 -0.204255885376296 0.0237 0.087 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P21 mock treatment -1.965 -1.62 -1.61 -1.057 -0.699 -0.65 -1.028 -0.77491756097561 -0.971543347217241 -1.8646 -0.9374 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P22 mock treatment -0.248 0.0971 0.1 -0.024 0.334 0.31 0.029 0.28208243902439 0.35365738344596 0.4382 0.9142 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P23 mock treatment -2.351 -2.01 -1.99 -0.902 -0.544 -0.5 -1.011 -0.75791756097561 -0.950229806610548 -1.991 -0.8787 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2168 P24 mock treatment -0.384 -0.0389 -0.04 -0.189 0.169 0.16 -0.056 0.19708243902439 0.247089680412495 0.2104 0.7138 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A01 compound treatment -0.214 0.131 0.13 -0.793 -0.435 -0.4 -0.35 -0.09691756097561 -0.121509198315018 -0.2277 -0.5166 1952677 BCB03_000001 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A02 compound treatment -1.173 -0.828 -0.82 -2.61 -2.25 -2.09 -1.325 -1.07191756097561 -1.34390343899299 -2.4552 -0.9392 3092787 BCB03_000002 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A03 compound treatment -0.74 -0.395 -0.39 -1.207 -0.849 -0.79 -0.891 -0.63791756097561 -0.799781284680951 -1.1425 -0.9614 1952679 BCB03_000003 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A04 compound treatment -0.138 0.207 0.21 -0.091 0.267 0.25 -0.124 0.12908243902439 0.161835517985723 0.3548 0.9859 3092788 BCB03_000004 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccc2C(F)(F)F)c3ccccc3C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A05 compound treatment -0.807 -0.462 -0.46 -0.374 -0.0164 -0.02 -0.553 -0.29991756097561 -0.376017947912586 -0.491 -0.827 1952690 BCB03_000005 COC(=O)CC(C(=O)OC)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A06 compound treatment -0.363 -0.0179 -0.02 -0.342 0.0156 0.01 -0.297 -0.04391756097561 -0.0550611011294457 -0.0337 -0.5656 3001175 BCB03_000006 CON(C)C(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A07 compound treatment -2.104 -1.76 -1.75 -0.934 -0.576 -0.53 -0.558 -0.30491756097561 -0.382286636326319 -1.5384 -0.8236 1952707 BCB03_000007 CCCCSc1cc(=O)oc2cc(OC)ccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A08 compound treatment -0.539 -0.194 -0.19 -0.547 -0.189 -0.18 -0.397 -0.14391756097561 -0.18043486940411 -0.3167 -0.9992 3001176 BCB03_000008 CC(C)OC(=O)CC(=O)CC(O)c1ccc(cc1)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A09 compound treatment -2.049 -1.7 -1.69 -2.642 -2.28 -2.12 -1.665 -1.41191756097561 -1.77017425112685 -3.2213 -0.9952 1952793 BCB03_000009 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A10 compound treatment -0.587 -0.242 -0.24 -0.821 -0.463 -0.43 -0.293 -0.03991756097561 -0.0500461503984591 -0.4155 -0.8403 3001249 BCB03_000010 CC(C)OC(=O)CC(=O)CC(O)c1cccc(c1)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A11 compound treatment 0.106 0.451 0.45 0.401 0.759 0.7 0.217 0.47008243902439 0.589360067802328 1.0047 0.9843 1952795 BCB03_000011 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A12 compound treatment -0.2 0.145 0.14 -0.58 -0.222 -0.21 -0.094 0.15908243902439 0.199447648468123 0.0795 0.2478 3001250 BCB03_000012 CC(C)OC(=O)CC(=O)CC(O)c1cccc(C#N)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A13 mock treatment -0.403 -0.0579 -0.06 -1.266 -0.908 -0.84 -0.694 -0.44091756097561 -0.552794961179863 -0.838 -0.8312 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A14 mock treatment -0.387 -0.0419 -0.04 -0.909 -0.551 -0.51 -0.446 -0.19291756097561 -0.241868015858695 -0.4585 -0.8093 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A15 compound treatment -1.277 -0.932 -0.93 -2.27 -1.91 -1.77 -1.156 -0.90291756097561 -1.13202177060881 -2.2108 -0.9626 1952801 BCB03_000013 Oc1ccccc1C#Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A16 compound treatment -0.08 0.265 0.26 -0.793 -0.435 -0.4 -0.391 -0.13791756097561 -0.17291244330763 -0.1804 -0.3526 3001251 BCB03_000014 CC(C)OC(=O)CC(=O)CC(O)c1ccc(C#N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A17 compound treatment -0.896 -0.551 -0.55 -0.501 -0.143 -0.13 -0.694 -0.44091756097561 -0.552794961179863 -0.712 -0.902 1952761 BCB03_000015 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A18 compound treatment -0.11 0.235 0.23 -0.21 0.148 0.14 -0.375 -0.12191756097561 -0.152852640383684 0.1256 0.4039 3001252 BCB03_000016 COC(=O)C1=CCC(CC1)(C=C)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A19 compound treatment 0.136 0.481 0.48 0.119 0.477 0.44 0.111 0.36408243902439 0.456463873431184 0.7945 0.9995 1952804 BCB03_000017 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A20 compound treatment -0.484 -0.139 -0.14 -0.521 -0.163 -0.15 -0.363 -0.10991756097561 -0.137807788190724 -0.2467 -0.999 3001253 BCB03_000018 COC(=O)/C=C(/CC(O)c1cccc(Cl)c1)\OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A21 compound treatment -0.823 -0.478 -0.48 0.131 0.489 0.45 -0.609 -0.35591756097561 -0.446227258146398 -0.2707 -0.3412 1952805 BCB03_000019 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A22 compound treatment -0.21 0.135 0.13 -0.515 -0.157 -0.15 -0.253 8.24390243899797E-5 1.03356911406587E-4 -0.0066 -0.0331 3001254 BCB03_000020 OC(C/C(=C/C(=O)OCCF)/OCCF)c1cccc(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A23 compound treatment -0.392 -0.0469 -0.05 -0.8 -0.442 -0.41 -0.227 0.02608243902439 0.0327005366628193 -0.2446 -0.5913 1952808 BCB03_000021 CCCCCc1cc2ccccc2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 A24 compound treatment -0.915 -0.57 -0.57 -1.199 -0.841 -0.78 -0.773 -0.51991756097561 -0.651840238116847 -1.1533 -0.9915 3001255 BCB03_000022 CCO/C(=C\C(=O)OC)/CC(O)c1cccc(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B01 compound treatment 0.345 0.69 0.69 -0.541 -0.183 -0.17 0.244 0.49708243902439 0.623210985236488 0.6579 0.6982 3000770 BCB03_000023 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2c3ccccc3)Sc4ccccc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B02 compound treatment -0.877 -0.532 -0.53 -2.433 -2.08 -1.92 -1.278 -1.02491756097561 -1.2849777679039 -2.1567 -0.9094 3070361 BCB03_000024 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B03 compound treatment -0.278 0.0671 0.07 -0.693 -0.335 -0.31 -0.235 0.01808243902439 0.0226706352008462 -0.1277 -0.4011 3000771 BCB03_000025 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B04 compound treatment -1.261 -0.916 -0.91 -2.876 -2.52 -2.33 -2.591 -2.33791756097561 -2.93113534535024 -3.5643 -0.9247 3189527 BCB03_000026 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B05 compound treatment -0.087 0.258 0.26 0.025 0.383 0.35 0.586 0.83908243902439 1.05198927273584 0.96 0.8426 3092495 BCB03_000027 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B06 compound treatment -0.413 -0.0679 -0.07 -0.299 0.0586 0.05 -1.376 -1.12291756097561 -1.40784406081307 -0.8205 -0.5817 3189528 BCB03_000028 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B07 compound treatment 0.871 1.22 1.21 0.385 0.743 0.69 0.285 0.53808243902439 0.6746142302291 1.4845 0.9603 3092496 BCB03_000029 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B08 compound treatment -2.725 -2.38 -2.37 -1.004 -0.646 -0.6 -1.286 -1.03291756097561 -1.29500766936588 -2.4593 -0.8901 3189529 BCB03_000030 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3c5ccc(CO)cc5)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B09 compound treatment -0.025 0.32 0.32 0.127 0.485 0.45 0.206 0.45908243902439 0.575568953292115 0.7751 0.9735 3000773 BCB03_000031 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B10 compound treatment -2.997 -2.65 -2.64 -2.849 -2.49 -2.31 -1.453 -1.19991756097561 -1.50438186238456 -3.7226 -0.9764 3070364 BCB03_000032 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4ccc(CN5CCCC5)cc4)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B11 compound treatment 0.324 0.669 0.67 -0.042 0.316 0.29 0.438 0.69108243902439 0.866436095689336 1.053 0.9312 3000774 BCB03_000033 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B12 compound treatment -1.633 -1.29 -1.28 -1.262 -0.904 -0.84 -0.831 -0.57791756097561 -0.724557023716153 -1.6411 -0.9694 3189532 BCB03_000034 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4cccs4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B13 mock treatment -0.399 -0.0539 -0.05 -0.512 -0.154 -0.14 -0.481 -0.22791756097561 -0.285748834754828 -0.2785 -0.8595 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B14 mock treatment -1.464 -1.12 -1.11 -2.473 -2.12 -1.96 -1.379 -1.12591756097561 -1.41160527386131 -2.5881 -0.9736 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B15 compound treatment 0.313 0.658 0.65 0.7 1.06 0.98 0.419 0.67208243902439 0.84261507971715 1.4296 0.9872 3000775 BCB03_000035 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B16 compound treatment -0.904 -0.559 -0.56 -3.115 -2.76 -2.55 -1.952 -1.69891756097561 -2.12999696607514 -3.0247 -0.8972 3189533 BCB03_000036 CC1C=C(CCCO)C/C(=N/P(=O)(Oc2ccccc2)Oc3ccccc3)/N1Cc4cccc(OC(F)(F)F)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B17 compound treatment 0.199 0.544 0.54 0.406 0.764 0.71 0.329 0.58208243902439 0.729778688269952 1.1418 0.9919 3092507 BCB03_000037 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B18 compound treatment -0.433 -0.0879 -0.09 -1.862 -1.5 -1.39 -2.622 -2.36891756097561 -2.97000121351539 -2.5694 -0.783 3189534 BCB03_000038 CN1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B19 compound treatment 0.415 0.76 0.76 0.312 0.67 0.62 0.518 0.77108243902439 0.966735110309068 1.3524 0.9837 3092508 BCB03_000039 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B20 compound treatment -2.202 -1.86 -1.85 -1.078 -0.72 -0.67 -1.121 -0.86791756097561 -1.08814095171268 -2.0792 -0.9264 3070367 BCB03_000040 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B21 compound treatment -0.059 0.286 0.28 0.393 0.751 0.7 0.776 1.02908243902439 1.2901994324577 1.3104 0.8778 3000857 BCB03_000041 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B22 compound treatment -3.431 -3.09 -3.07 -3.102 -2.74 -2.54 -1.402 -1.14891756097561 -1.44044124056449 -4.07 -0.9608 3189537 BCB03_000042 CN1C(=O)C2C(C3C(N(C)C2C=C3c4ccc(CO)cc4)c5cccs5)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B23 compound treatment -0.034 0.311 0.31 0.034 0.392 0.36 -0.035 0.21808243902439 0.273418171750175 0.5458 0.9933 3000858 BCB03_000043 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(Cl)c(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 B24 compound treatment -0.799 -0.454 -0.45 -0.522 -0.164 -0.15 -0.405 -0.15191756097561 -0.190464770866083 -0.4584 -0.8937 3189538 BCB03_000044 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C01 compound treatment -0.506 -0.161 -0.16 -0.263 0.0946 0.09 -0.276 -0.02291756097561 -0.0287326097917662 -0.0584 -0.3162 1952809 BCB03_000045 CC(=O)Oc1ccccc1C#Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C02 compound treatment -0.696 -0.351 -0.35 -1.038 -0.68 -0.63 -0.378 -0.12491756097561 -0.156613853431924 -0.6556 -0.8895 3092872 BCB03_000046 FCCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C03 compound treatment 0.344 0.689 0.69 0.126 0.484 0.45 0.354 0.60708243902439 0.761122130338618 1.0935 0.9784 1952811 BCB03_000047 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C04 compound treatment -0.51 -0.165 -0.16 -1.021 -0.663 -0.61 -0.633 -0.37991756097561 -0.476316962532317 -0.7243 -0.9118 3000746 BCB03_000048 CC(C)OC(=O)C1=CCC(O1)c2cccc(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C05 compound treatment -0.39 -0.0449 -0.04 -1.289 -0.931 -0.86 -0.18 0.07308243902439 0.0916262077519115 -0.4708 -0.5421 1952813 BCB03_000049 OCCCC#Cc1cc(O)cc(Cl)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C06 compound treatment -0.66 -0.315 -0.31 -0.3 0.0576 0.05 -0.766 -0.51291756097561 -0.643064074337621 -0.5212 -0.7268 3000748 BCB03_000050 CCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C07 compound treatment -0.623 -0.278 -0.28 -0.623 -0.265 -0.25 -0.419 -0.16591756097561 -0.208017098424536 -0.4215 -0.9935 1952814 BCB03_000051 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C08 compound treatment -1.042 -0.697 -0.69 -0.834 -0.476 -0.44 -0.672 -0.41891756097561 -0.525212732159437 -0.9579 -0.9826 3000750 BCB03_000052 COC(=O)C1=CCC(O1)c2cccc(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C09 compound treatment 0.41 0.755 0.75 0.99 1.35 1.25 -0.315 -0.06191756097561 -0.0776283794188852 1.109 0.7605 1952821 BCB03_000053 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C10 compound treatment -1.272 -0.927 -0.92 -0.703 -0.345 -0.32 -0.415 -0.16191756097561 -0.203002147693549 -0.8339 -0.837 2065163 BCB03_000054 CCOC(=O)/C=C/c1ccccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C11 mock treatment -0.761 -0.416 -0.41 -0.549 -0.191 -0.18 -0.492 -0.23891756097561 -0.299539949265041 -0.514 -0.951 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C12 mock treatment -0.889 -0.544 -0.54 -0.667 -0.309 -0.29 -0.552 -0.29891756097561 -0.37476421022984 -0.694 -0.9671 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C13 compound treatment -0.622 -0.277 -0.28 -0.172 0.186 0.17 -0.086 0.16708243902439 0.209477549930096 0.0612 0.1585 1952823 BCB03_000055 C#Cc1ccccc1Oc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C14 compound treatment -0.428 -0.0829 -0.08 -0.722 -0.364 -0.34 -0.235 0.01808243902439 0.0226706352008462 -0.2293 -0.6588 3000752 BCB03_000056 CCOC(=O)/C=C/c1cc(F)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C15 mock treatment -0.537 -0.192 -0.19 -0.433 -0.0754 -0.07 -0.179 0.07408243902439 0.0928799454346581 -0.0968 -0.4335 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C16 mock treatment -0.341 0.00407 0.0 -0.387 -0.0294 -0.03 0.0 0.25308243902439 0.317298990646307 0.1698 0.5332 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C17 compound treatment -0.629 -0.284 -0.28 0.188 0.546 0.51 -0.061 0.19208243902439 0.240820991998762 0.2677 0.4271 1952825 BCB03_000057 CCCC(C)(O)C#Cc1cc(cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1OC(=O)C)c2cc(F)cc(F)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C18 compound treatment 0.129 0.474 0.47 -0.081 0.277 0.26 -0.266 -0.01291756097561 -0.0161952329642998 0.4106 0.7652 3000753 BCB03_000058 CCOC(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C19 compound treatment -0.835 -0.49 -0.49 -1.193 -0.835 -0.77 -1.0 -0.74691756097561 -0.936438692100335 -1.2685 -0.9693 1952828 BCB03_000059 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C20 compound treatment 0.188 0.533 0.53 0.319 0.677 0.63 -0.089 0.16408243902439 0.205716336881856 0.7865 0.9296 3000754 BCB03_000060 CCOC(=O)/C=C/c1cccc(OC)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C21 compound treatment -0.8 -0.455 -0.45 -0.567 -0.209 -0.19 -0.564 -0.31091756097561 -0.389809062422799 -0.5981 -0.9528 1952829 BCB03_000061 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C22 compound treatment -0.94 -0.595 -0.59 -0.583 -0.225 -0.21 -0.608 -0.35491756097561 -0.444973520463651 -0.7189 -0.9348 3000755 BCB03_000062 CCOC(=O)/C=C/c1cccc(C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C23 compound treatment -1.657 -1.31 -1.3 -1.527 -1.17 -1.08 -0.875 -0.62191756097561 -0.779721481757005 -1.8283 -0.9799 1952832 BCB03_000063 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 C24 compound treatment -0.73 -0.385 -0.38 -0.253 0.105 0.1 -0.067 0.18608243902439 0.233298565902282 -0.0303 -0.0661 3000762 BCB03_000064 CCOC(=O)/C=C/c1ccccc1OC(=O)C#CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D01 compound treatment 1.621 1.97 1.51 0.49 0.848 0.78 1.292 1.54508243902439 1.7001093420467 2.3061 0.9588 3000859 BCB03_000065 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D02 compound treatment -2.192 -1.85 -1.84 -2.173 -1.82 -1.68 -1.297 -1.04391756097561 -1.30879878387609 -2.7862 -0.9907 3189665 BCB03_000066 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5ccc(CN6CCCC6)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D03 compound treatment 0.488 0.833 0.83 0.678 1.04 0.96 3.534 3.78708243902439 2.17799842057829 2.2893 0.9085 3092513 BCB03_000067 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D04 compound treatment -1.66 -1.31 -1.31 -1.544 -1.19 -1.1 -0.588 -0.33491756097561 -0.419898766808719 -1.6314 -0.9278 3189666 BCB03_000068 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D05 compound treatment -0.339 0.00607 0.01 0.252 0.61 0.56 -0.024 0.22908243902439 0.287209286260388 0.4952 0.7819 3092514 BCB03_000069 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D06 compound treatment -2.592 -2.25 -2.23 -1.656 -1.3 -1.2 -1.044 -0.79091756097561 -0.991603150141187 -2.5563 -0.9385 3189668 BCB03_000070 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D07 compound treatment 0.555 0.9 0.89 0.399 0.757 0.7 0.757 1.01008243902439 1.26637841648552 1.6522 0.971 3000861 BCB03_000071 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(F)(F)F)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D08 compound treatment -1.877 -1.53 -1.52 -1.012 -0.654 -0.61 -1.635 -1.38191756097561 -1.73256212064445 -2.2294 -0.9348 3189669 BCB03_000072 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D09 compound treatment 0.162 0.507 0.5 0.108 0.466 0.43 0.053 0.30608243902439 0.383747087831879 0.7615 0.9937 3092596 BCB03_000073 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(C)C)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D10 compound treatment -2.792 -2.45 -2.43 -1.439 -1.08 -1.0 -1.67 -1.41691756097561 -1.77644293954059 -3.0082 -0.9477 3189670 BCB03_000074 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D11 mock treatment -0.915 -0.57 -0.57 -0.365 -0.00739 -0.01 -0.448 -0.19491756097561 -0.244375491224189 -0.4722 -0.7651 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D12 mock treatment -3.753 -3.41 -3.39 -2.431 -2.07 -1.92 -2.653 -2.39991756097561 -3.00886708168054 -4.8017 -0.9757 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D13 compound treatment 0.984 1.33 1.32 2.53 2.89 1.56 0.065 0.31808243902439 0.398791940024839 1.8912 0.9094 3000869 BCB03_000075 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccccc2F)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D14 compound treatment -1.541 -1.2 -1.19 -1.472 -1.11 -1.03 -1.28 -1.02691756097561 -1.2874852432694 -2.0255 -0.996 3070434 BCB03_000076 NC(=O)N1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D15 mock treatment -0.329 0.0161 0.02 0.509 0.867 0.8 -0.273 -0.01991756097561 -0.0249713967435263 0.4581 0.5705 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D16 mock treatment -2.3 -1.95 -1.94 -1.675 -1.32 -1.22 -0.962 -0.70891756097561 -0.888796660155963 -2.3395 -0.9507 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D17 compound treatment 0.436 0.781 0.78 0.214 0.572 0.53 0.483 0.73608243902439 0.922854291412935 1.2867 0.9769 3000870 BCB03_000077 CCOC(=O)C1=C[C@@H](CC)N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D18 compound treatment -1.996 -1.65 -1.64 -1.731 -1.37 -1.27 -1.471 -1.21791756097561 -1.526949140674 -2.5634 -0.9946 3189673 BCB03_000078 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D19 compound treatment 0.403 0.748 0.74 0.393 0.751 0.7 0.405 0.65808243902439 0.825062752158697 1.307 0.9975 3092599 BCB03_000079 CCOC(=O)C1=CCN(C1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D20 compound treatment -1.797 -1.45 -1.44 -1.12 -0.762 -0.71 -1.562 -1.30891756097561 -1.64103926980395 -2.1884 -0.9528 3189674 BCB03_000080 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)CC2)c4cccs4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D21 compound treatment 0.853 1.2 1.19 0.412 0.77 0.71 0.249 0.50208243902439 0.629479673650221 1.4625 0.9596 3092600 BCB03_000081 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D22 compound treatment -0.952 -0.607 -0.6 -0.524 -0.166 -0.15 -0.365 -0.11191756097561 -0.140315263556217 -0.5183 -0.812 3070436 BCB03_000082 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D23 compound treatment -0.125 0.22 0.22 -0.234 0.124 0.11 -0.306 -0.05291756097561 -0.0663447402741654 0.1541 0.6027 3092601 BCB03_000083 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 D24 compound treatment -1.217 -0.872 -0.87 -0.59 -0.232 -0.22 -0.692 -0.43891756097561 -0.550287485814369 -0.9424 -0.8983 3070437 BCB03_000084 CN1CCC(=CC1C2CC2)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E01 mock treatment -0.38 -0.0349 -0.03 -1.391 -1.03 -0.96 -0.847 -0.59391756097561 -0.744616826640099 -1.0024 -0.8264 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E02 mock treatment -0.363 -0.0179 -0.02 -0.726 -0.368 -0.34 -0.313 -0.05991756097561 -0.0751209040533919 -0.2506 -0.7165 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E03 mock treatment -0.713 -0.368 -0.37 -1.251 -0.893 -0.83 -0.587 -0.33391756097561 -0.418645029125972 -0.9305 -0.9336 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E04 compound treatment -0.223 0.122 0.12 -0.169 0.189 0.17 -0.08 0.17308243902439 0.216999976026576 0.2962 0.9748 3093836 BCB03_000085 CCOC(=O)[C@H]1CC=C2[C@@H]1c3ccccc3OC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E05 compound treatment -0.639 -0.294 -0.29 -0.826 -0.468 -0.43 -1.494 -1.24091756097561 -1.55578510737718 -1.3173 -0.8026 1952837 BCB03_000086 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E06 compound treatment -0.418 -0.0729 -0.07 -0.126 0.232 0.21 -0.625 -0.37191756097561 -0.466287061070344 -0.1873 -0.3613 3000764 BCB03_000087 CCOC(=O)[C@H]1CC=C2[C@@H]1c3cc(Br)ccc3OC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E07 compound treatment -0.483 -0.138 -0.14 -0.781 -0.423 -0.39 -0.689 -0.43591756097561 -0.546526272766129 -0.6211 -0.9048 1952838 BCB03_000088 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E08 compound treatment 0.512 0.857 0.85 0.12 0.478 0.44 0.244 0.49708243902439 0.623210985236488 1.1071 0.9673 3000765 BCB03_000089 CCOC(=O)/C=C/c1cc(Br)ccc1OC(=O)C#CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E09 mock treatment -0.737 -0.392 -0.39 -1.136 -0.778 -0.72 -0.539 -0.28591756097561 -0.358465620354133 -0.848 -0.9483 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E10 mock treatment -0.2 0.145 0.14 -0.201 0.157 0.15 -0.128 0.12508243902439 0.156820567254737 0.2575 0.9992 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E11 compound treatment -0.821 -0.476 -0.47 -1.303 -0.945 -0.88 -0.492 -0.23891756097561 -0.299539949265041 -0.9515 -0.9156 1952839 BCB03_000090 Oc1ccccc1C#CC#Cc2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E12 compound treatment -0.616 -0.271 -0.27 -0.677 -0.319 -0.3 -0.475 -0.22191756097561 -0.278226408658348 -0.4869 -0.9992 3000766 BCB03_000091 O=c1oc2ccccc2cc1C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E13 compound treatment -0.284 0.0611 0.06 -0.907 -0.549 -0.51 -0.504 -0.25091756097561 -0.314584801458001 -0.4403 -0.7323 1952842 BCB03_000092 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E14 compound treatment -0.84 -0.495 -0.49 -2.267 -1.91 -1.77 -1.121 -0.86791756097561 -1.08814095171268 -1.9331 -0.906 3000767 BCB03_000093 Cn1c2C3NC(C(=O)c2c4ccccc14)C(C)(C=C3)C(=O)OCc5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E15 compound treatment -0.592 -0.247 -0.25 -1.583 -1.23 -1.13 -0.578 -0.32491756097561 -0.407361389981252 -1.032 -0.8388 2065685 BCB03_000094 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E16 compound treatment -0.234 0.111 0.11 0.778 1.14 1.05 0.535 0.78808243902439 0.988048650915761 1.2413 0.8578 3000768 BCB03_000095 [O-][N+](=O)c1ccccc1S(=O)(=O)N2C3CC=C(C2C(=O)c4c3[nH]c5ccccc45)C(=O)OCc6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E17 mock treatment -0.097 0.248 0.25 -0.858 -0.5 -0.46 -1.186 -0.93291756097561 -1.16963390109121 -0.8004 -0.6243 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E18 mock treatment -0.432 -0.0869 -0.09 -0.117 0.241 0.22 -0.414 -0.16091756097561 -0.201748410010803 -0.0377 -0.1207 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E19 compound treatment -0.159 0.186 0.18 -0.005 0.353 0.33 0.138 0.39108243902439 0.490314790865344 0.5784 0.9368 2065729 BCB03_000096 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E20 compound treatment 0.139 0.484 0.48 0.357 0.715 0.66 0.174 0.42708243902439 0.535449347444223 0.969 0.991 3093843 BCB03_000097 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E21 compound treatment -0.81 -0.465 -0.46 -1.766 -1.41 -1.3 -0.625 -0.37191756097561 -0.466287061070344 -1.289 -0.8828 1952773 BCB03_000098 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E22 compound treatment 0.096 0.441 0.44 0.346 0.704 0.65 0.368 0.62108243902439 0.778674457897071 1.0789 0.9755 3000776 BCB03_000099 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(CC)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E23 compound treatment -0.894 -0.549 -0.55 -0.734 -0.376 -0.35 -0.107 0.14608243902439 0.183149058592416 -0.4106 -0.6101 1952780 BCB03_000100 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 E24 compound treatment 0.352 0.697 0.69 0.545 0.903 0.84 0.401 0.65408243902439 0.820047801427711 1.3561 0.9967 3000848 BCB03_000101 CCOC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(CC)C2=O)Sc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F01 mock treatment 0.237 0.582 0.58 -0.672 -0.314 -0.29 -0.234 0.01908243902439 0.0239243728835928 0.1798 0.2774 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F02 mock treatment -1.845 -1.5 -1.49 -2.7 -2.34 -2.17 -1.454 -1.20091756097561 -1.50563560006731 -2.9824 -0.9836 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F03 compound treatment 0.299 0.644 0.64 0.298 0.656 0.61 0.319 0.57208243902439 0.717241311442486 1.1343 0.9975 3000874 BCB03_000102 Cc1ccc(cc1)[C@@H]2N(CC=C2C(=O)O)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F04 compound treatment -0.419 -0.0739 -0.07 -1.562 -1.2 -1.12 -0.948 -0.69491756097561 -0.87124433259751 -1.1893 -0.8393 3187712 BCB03_000103 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4ccc(CN5CCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F05 compound treatment -0.684 -0.339 -0.34 -1.525 -1.17 -1.08 -0.276 -0.02291756097561 -0.0287326097917662 -0.8352 -0.7374 3092602 BCB03_000104 C[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F06 compound treatment -0.283 0.0621 0.06 -1.978 -1.62 -1.5 -1.813 -1.55991756097561 -1.95572742817336 -1.9598 -0.7948 3187713 BCB03_000105 CN1C(C2CC2)C3C4C(C1C=C3c5ccc(CO)cc5)C(=O)N(C(=O)N)C4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F07 compound treatment -0.619 -0.274 -0.27 -0.645 -0.287 -0.27 -0.625 -0.37191756097561 -0.466287061070344 -0.5801 -0.9636 3092680 BCB03_000106 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F08 compound treatment -1.46 -1.11 -1.11 -0.978 -0.62 -0.57 -0.869 -0.61591756097561 -0.772199055660525 -1.4174 -0.9656 3187714 BCB03_000107 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F09 mock treatment 1.698 2.04 1.53 -0.732 -0.374 -0.35 0.194 0.44708243902439 0.560524101099156 1.0044 0.6043 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F10 mock treatment -3.335 -2.99 -2.97 -3.047 -2.69 -2.49 -1.269 -1.01591756097561 -1.27369412875918 -3.8893 -0.9529 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F11 compound treatment -0.966 -0.621 -0.62 -0.447 -0.0894 -0.08 -0.548 -0.29491756097561 -0.369749259498853 -0.6177 -0.8528 3092681 BCB03_000108 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F12 compound treatment -1.523 -1.18 -1.17 -1.347 -0.989 -0.92 -1.076 -0.82291756097561 -1.03172275598908 -1.8007 -0.995 3070498 BCB03_000109 CC1C=C(CCCO)CCN1Cc2cccc(OC(F)(F)F)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F13 compound treatment -0.174 0.171 0.17 0.013 0.371 0.34 0.339 0.59208243902439 0.742316065097419 0.7249 0.8678 3000959 BCB03_000110 CC(C)[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F14 compound treatment -1.144 -0.799 -0.79 -1.621 -1.26 -1.17 -1.044 -0.79091756097561 -0.991603150141187 -1.7065 -0.9881 3070499 BCB03_000111 CN1CCC(=CC1c2cccs2)c3ccc(CO)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F15 compound treatment -0.014 0.331 0.33 -0.293 0.0646 0.06 -0.262 -0.00891756097561003 -0.0111802822333132 0.2181 0.6516 3092683 BCB03_000112 Cc1ccc(cc1)[C@@H]2N([C@@H](C=C2C(=O)O)C(C)(C)C)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F16 compound treatment -0.857 -0.512 -0.51 -2.567 -2.21 -2.05 -1.786 -1.53291756097561 -1.9218765107392 -2.5846 -0.906 3187718 BCB03_000113 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4cccs4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F17 mock treatment -0.008 0.337 0.34 -0.692 -0.334 -0.31 -0.105 0.14808243902439 0.18565653395791 0.1219 0.2475 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F18 mock treatment -0.452 -0.107 -0.11 -1.947 -1.59 -1.47 -2.131 -1.87791756097561 -2.35441601128679 -2.2704 -0.8171 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F19 compound treatment -0.487 -0.142 -0.14 -0.768 -0.41 -0.38 -0.496 -0.24291756097561 -0.304554899996027 -0.4767 -0.9402 3092684 BCB03_000114 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F20 compound treatment -0.387 -0.0419 -0.04 -0.573 -0.215 -0.2 -0.584 -0.33091756097561 -0.414883816077732 -0.3787 -0.8194 3187719 BCB03_000115 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)CC1)c4ccc(CN5CCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F21 compound treatment 0.449 0.794 0.79 0.6 0.958 0.89 0.476 0.72908243902439 0.914078127633709 1.4955 0.9981 3000962 BCB03_000116 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F22 compound treatment -1.289 -0.944 -0.94 -1.302 -0.944 -0.87 -0.611 -0.35791756097561 -0.448734733511891 -1.3057 -0.9609 3187720 BCB03_000117 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F23 compound treatment 0.809 1.15 1.15 -0.126 0.232 0.21 -0.583 -0.32991756097561 -0.413630078394985 0.5474 0.4421 3092686 BCB03_000118 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 F24 compound treatment -1.36 -1.01 -1.01 -1.306 -0.948 -0.88 -0.912 -0.65891756097561 -0.826109776018631 -1.5665 -0.9964 3070502 BCB03_000119 CN1C(C2C3C(C1C=C2c4ccc(CO)cc4)C(=O)N(C(=O)N)C3=O)c5cccs5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G01 compound treatment -0.355 -0.00993 -0.01 0.109 0.467 0.43 -0.467 -0.21391756097561 -0.268196507196375 0.0889 0.1748 3107406 BCB03_000120 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G02 compound treatment 0.41 0.755 0.75 -0.463 -0.105 -0.1 0.662 0.91508243902439 1.14727333662458 1.0394 0.7562 3000850 BCB03_000121 OC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G03 mock treatment 0.022 0.367 0.36 -0.039 0.319 0.3 0.182 0.43508243902439 0.545479248906196 0.6959 0.9672 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G04 mock treatment 0.067 0.412 0.41 -0.323 0.0346 0.03 -0.076 0.17708243902439 0.222014926757562 0.3832 0.8205 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G05 compound treatment -0.378 -0.0329 -0.03 -0.394 -0.0364 -0.03 -0.328 -0.07491756097561 -0.0939269692945916 -0.0926 -0.8816 1952785 BCB03_000122 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G06 compound treatment -0.827 -0.482 -0.48 -0.513 -0.155 -0.14 -0.973 -0.71991756097561 -0.902587774666176 -0.8808 -0.8535 3092501 BCB03_000123 OC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3)Sc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G07 compound treatment -0.686 -0.341 -0.34 -0.602 -0.244 -0.23 -1.079 -0.82591756097561 -1.03548396903732 -0.9242 -0.8305 1952788 BCB03_000124 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G08 compound treatment 0.796 1.14 1.13 0.316 0.674 0.62 0.198 0.45108243902439 0.565539051830142 1.3416 0.9496 3092502 BCB03_000125 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G09 compound treatment -0.163 0.182 0.18 -0.614 -0.256 -0.24 -0.38 -0.12691756097561 -0.159121328797417 -0.1244 -0.3678 2065776 BCB03_000126 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G10 compound treatment -0.04 0.305 0.3 -0.058 0.3 0.28 0.367 0.62008243902439 0.777420720214325 0.7841 0.8917 3000853 BCB03_000127 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G11 compound treatment -0.31 0.0351 0.03 0.075 0.433 0.4 -0.012 0.24108243902439 0.302254138453347 0.4259 0.8467 1034979 BCB03_000128 c1c(cn2ccccc12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G12 compound treatment 0.111 0.456 0.45 0.533 0.891 0.82 0.52 0.77308243902439 0.969242585674561 1.2975 0.9604 3000854 BCB03_000129 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G13 compound treatment -0.244 0.101 0.1 -0.33 0.0276 0.03 -0.204 0.04908243902439 0.0615365033659921 0.1083 0.8983 2065809 BCB03_000130 COC(=O)Cc1cn[nH]c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G14 compound treatment -0.315 0.0301 0.03 -0.49 -0.132 -0.12 -0.024 0.22908243902439 0.287209286260388 0.1123 0.358 3000855 BCB03_000131 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G15 compound treatment -0.033 0.312 0.31 -1.146 -0.788 -0.73 -0.563 -0.30991756097561 -0.388555324740052 -0.4667 -0.5284 2065826 BCB03_000132 CC(C(=O)O)c1ccccc1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G16 compound treatment 0.481 0.826 0.82 0.29 0.648 0.6 0.359 0.61208243902439 0.767390818752352 1.2634 0.9917 3000862 BCB03_000133 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2C)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G17 compound treatment -0.163 0.182 0.18 -0.3 0.0576 0.05 -0.065 0.18808243902439 0.235806041267775 0.2714 0.8988 2065840 BCB03_000134 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G18 compound treatment -0.247 0.0981 0.1 -0.124 0.234 0.22 0.045 0.29808243902439 0.373717186369906 0.3969 0.8967 3000863 BCB03_000135 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)C[Si](C)(C)C)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G19 mock treatment -0.733 -0.388 -0.39 -0.668 -0.31 -0.29 -0.447 -0.19391756097561 -0.243121753541442 -0.529 -0.9815 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G20 mock treatment -0.101 0.244 0.24 -0.383 -0.0254 -0.02 -0.27 -0.01691756097561 -0.0212101836952864 0.1143 0.467 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G21 compound treatment -0.847 -0.502 -0.5 -0.942 -0.584 -0.54 -0.293 -0.03991756097561 -0.0500461503984591 -0.6294 -0.8531 2065855 BCB03_000136 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G22 compound treatment 0.479 0.824 0.82 -0.032 0.326 0.3 0.109 0.36208243902439 0.453956398065691 0.9092 0.924 3092589 BCB03_000137 CCOC(=O)C1=CC[C@H](N([C@H]1/C=C/c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G23 compound treatment -1.412 -1.07 -1.06 -0.582 -0.224 -0.21 -0.774 -0.52091756097561 -0.653093975799594 -1.1094 -0.8785 2065872 BCB03_000138 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 G24 compound treatment 0.024 0.369 0.37 -0.24 0.118 0.11 -0.123 0.13008243902439 0.16308925566847 0.3689 0.8866 3092590 BCB03_000139 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4cccc(Cl)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H01 compound treatment 0.919 1.26 1.26 0.267 0.625 0.58 0.361 0.61408243902439 0.769898294117845 1.504 0.95 3092687 BCB03_000140 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H02 compound treatment -1.186 -0.841 -0.84 -1.388 -1.03 -0.95 -1.6 -1.34691756097561 -1.68868130174832 -2.0085 -0.951 3187850 BCB03_000141 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H03 mock treatment 0.202 0.547 0.54 0.401 0.759 0.7 0.307 0.56008243902439 0.702196459249526 1.125 0.9935 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H04 mock treatment -1.989 -1.64 -1.63 -1.307 -0.949 -0.88 -1.932 -1.67891756097561 -2.10492221242021 -2.6664 -0.9502 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H05 compound treatment 0.427 0.772 0.77 0.035 0.393 0.36 1.164 1.41708243902439 1.64737157505639 1.6042 0.8655 3092697 BCB03_000142 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H06 compound treatment -1.137 -0.792 -0.79 -1.493 -1.14 -1.05 -1.29 -1.03691756097561 -1.30002262009686 -1.8121 -0.9806 3187852 BCB03_000143 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4ccc(CN5CCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H07 compound treatment -0.055 0.29 0.29 -0.532 -0.174 -0.16 -0.135 0.11808243902439 0.14804440347551 0.1587 0.4383 3092698 BCB03_000144 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccco3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H08 compound treatment -1.873 -1.53 -1.52 -1.321 -0.963 -0.89 -1.584 -1.33091756097561 -1.66862149882437 -2.3554 -0.9707 3187853 BCB03_000145 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C(=O)N)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H09 compound treatment -0.789 -0.444 -0.44 -0.945 -0.587 -0.54 -0.074 0.17908243902439 0.224522402123056 -0.4392 -0.5971 3092699 BCB03_000146 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H10 compound treatment -1.638 -1.29 -1.29 -1.309 -0.951 -0.88 -0.842 -0.58891756097561 -0.738348138226366 -1.677 -0.9725 3070552 BCB03_000147 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H11 compound treatment 0.211 0.556 0.55 0.062 0.42 0.39 0.215 0.46808243902439 0.586852592436835 0.8823 0.9859 3092700 BCB03_000148 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(Br)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H12 compound treatment -2.466 -2.12 -2.11 -1.488 -1.13 -1.05 -1.501 -1.24791756097561 -1.5645612711564 -2.725 -0.9641 3070553 BCB03_000149 CN1CCC(=CC1c2cccs2)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H13 compound treatment 0.055 0.4 0.4 0.152 0.51 0.47 0.23 0.48308243902439 0.605658657678035 0.8517 0.985 3000975 BCB03_000150 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)C(C)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H14 compound treatment -0.634 -0.289 -0.29 -1.197 -0.839 -0.78 -1.344 -1.09091756097561 -1.36772445496518 -1.4042 -0.8781 3187856 BCB03_000151 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H15 compound treatment -0.287 0.0581 0.06 -0.16 0.198 0.18 0.676 0.92908243902439 1.16482566418304 0.8115 0.6874 3000976 BCB03_000152 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](C=C([C@@H]2c3ccccc3)C(=O)O)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H16 compound treatment -0.638 -0.293 -0.29 -0.659 -0.301 -0.28 -0.771 -0.51791756097561 -0.649332762751354 -0.7042 -0.9212 3187857 BCB03_000153 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H17 compound treatment 0.218 0.563 0.56 -0.068 0.29 0.27 0.544 0.79708243902439 0.999332290060481 1.055 0.8968 3092773 BCB03_000154 CC(C)[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H18 compound treatment -0.599 -0.254 -0.25 -1.033 -0.675 -0.63 -1.235 -0.98191756097561 -1.2310670475458 -1.2176 -0.8674 3070555 BCB03_000155 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H19 mock treatment 0.085 0.43 0.43 -0.434 -0.0764 -0.07 -0.146 0.10708243902439 0.134253288965297 0.2835 0.6249 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H20 mock treatment -1.093 -0.748 -0.74 -1.728 -1.37 -1.27 -2.0 -1.74691756097561 -2.19017637484698 -2.4264 -0.9197 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H21 compound treatment -0.507 -0.162 -0.16 0.002 0.36 0.33 0.012 0.26508243902439 0.332343842839267 0.2912 0.5856 3092774 BCB03_000156 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H22 compound treatment -0.533 -0.188 -0.19 -0.484 -0.126 -0.12 -0.754 -0.50091756097561 -0.628019222144661 -0.538 -0.8083 3070556 BCB03_000157 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H23 compound treatment -0.225 0.12 0.12 -0.321 0.0366 0.03 -0.445 -0.19191756097561 -0.240614278175949 -0.0504 -0.1863 3092783 BCB03_000158 CCC[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 H24 compound treatment -1.959 -1.61 -1.6 -1.502 -1.14 -1.06 -1.366 -1.11291756097561 -1.39530668398561 -2.3437 -0.9865 3070597 BCB03_000159 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I01 compound treatment 0.175 0.52 0.52 -0.454 -0.0964 -0.09 -0.271 -0.01791756097561 -0.022463921378033 0.234 0.4456 2065633 BCB03_000160 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I02 compound treatment -0.381 -0.0359 -0.04 -0.799 -0.441 -0.41 -0.458 -0.20491756097561 -0.256912868051655 -0.4049 -0.8365 3000865 BCB03_000161 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2I)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I03 compound treatment -0.588 -0.243 -0.24 -0.841 -0.483 -0.45 -0.377 -0.12391756097561 -0.155360115749177 -0.4876 -0.9168 2065650 BCB03_000162 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I04 compound treatment -0.166 0.179 0.18 -0.121 0.237 0.22 -0.504 -0.25091756097561 -0.314584801458001 0.0476 0.1127 3000866 BCB03_000163 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I05 mock treatment 0.335 0.68 0.68 -0.64 -0.282 -0.26 -0.903 -0.64991756097561 -0.814826136873911 -0.2311 -0.2119 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I06 mock treatment 0.08 0.425 0.42 -0.124 0.234 0.22 -0.343 -0.08991756097561 -0.112733034535791 0.3038 0.6226 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I07 compound treatment -0.51 -0.165 -0.16 -0.75 -0.392 -0.36 -0.981 -0.72791756097561 -0.912617676128149 -0.8313 -0.8348 1065064 BCB03_000164 [O-][N+](=O)c1ccc(CBr)c(I)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I08 compound treatment -0.605 -0.26 -0.26 -0.325 0.0326 0.03 -0.373 -0.11991756097561 -0.15034516501819 -0.2186 -0.7274 3000867 BCB03_000165 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I09 compound treatment -0.185 0.16 0.16 -1.051 -0.693 -0.64 -0.346 -0.09291756097561 -0.116494247584031 -0.3461 -0.5152 2065874 BCB03_000166 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I10 compound treatment 0.35 0.695 0.69 0.467 0.825 0.76 -0.02 0.23308243902439 0.292224236991374 1.0085 0.9421 3092595 BCB03_000167 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(SC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCc5ccccc5)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I11 compound treatment 0.511 0.856 0.85 0.206 0.564 0.52 -0.067 0.18608243902439 0.233298565902282 0.9274 0.9045 BCB03_000168 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I12 compound treatment 0.511 0.856 0.85 1.197 1.55 1.32 0.193 0.44608243902439 0.559270363416409 1.5738 0.946 3000949 BCB03_000169 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4cccc(Br)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I13 compound treatment -0.649 -0.304 -0.3 -1.049 -0.691 -0.64 -0.943 -0.68991756097561 -0.864975644183776 -1.0435 -0.9336 3107360 BCB03_000170 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I14 compound treatment 0.349 0.694 0.69 -0.123 0.235 0.22 -0.128 0.12508243902439 0.156820567254737 0.6143 0.83 3000951 BCB03_000171 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I15 compound treatment -0.485 -0.14 -0.14 -0.363 -0.00539 0.0 -0.597 -0.34391756097561 -0.431182405953438 -0.3321 -0.7331 1952728 BCB03_000172 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I16 compound treatment 0.314 0.659 0.66 -0.325 0.0326 0.03 0.315 0.56808243902439 0.712226360711499 0.8069 0.8334 3000952 BCB03_000173 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I17 compound treatment -0.792 -0.447 -0.44 -0.404 -0.0464 -0.04 -0.571 -0.31791756097561 -0.398585226202026 -0.5115 -0.8546 1952730 BCB03_000174 O=c1cc(Cc2ccccc2)c3ccccc3o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I18 compound treatment -0.608 -0.263 -0.26 0.002 0.36 0.33 -0.103 0.15008243902439 0.188164009323403 0.15 0.3237 3092606 BCB03_000175 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(F)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I19 compound treatment -0.833 -0.488 -0.49 -0.756 -0.398 -0.37 -0.824 -0.57091756097561 -0.715780859936926 -0.9063 -0.9641 1952746 BCB03_000176 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I20 compound treatment 0.085 0.43 0.43 0.419 0.777 0.72 0.184 0.43708243902439 0.547986724271689 0.9784 0.9783 3092607 BCB03_000177 CCOC(=O)[C@@H]1N([C@@H](CC=C1C(=O)OCC)c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I21 mock treatment -0.666 -0.321 -0.32 -0.38 -0.0224 -0.02 -0.471 -0.21791756097561 -0.273211457927361 -0.3539 -0.8415 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I22 mock treatment -0.807 -0.462 -0.46 -0.546 -0.188 -0.17 -0.47 -0.21691756097561 -0.271957720244615 -0.5229 -0.9312 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I23 compound treatment -0.528 -0.183 -0.18 -0.897 -0.539 -0.5 -0.498 -0.24491756097561 -0.307062375361521 -0.5706 -0.9296 3005760 BCB03_000178 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 I24 compound treatment -0.875 -0.53 -0.53 -1.367 -1.01 -0.93 -0.49 -0.23691756097561 -0.297032473899548 -1.0153 -0.912 3000954 BCB03_000179 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J01 compound treatment -0.112 0.233 0.23 0.43 0.788 0.73 1.342 1.59508243902439 1.71930814259257 1.5475 0.8223 3092784 BCB03_000180 CCS[C@@H]1[C@@H](CC)N([C@H]([C@@H]1C(=O)O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J02 compound treatment -1.11 -0.765 -0.76 -1.902 -1.54 -1.43 -1.131 -0.87791756097561 -1.10067832854015 -1.9002 -0.9703 3187985 BCB03_000181 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J03 compound treatment 0.331 0.676 0.67 0.325 0.683 0.63 0.148 0.40108243902439 0.50285216769281 1.0433 0.9929 3092785 BCB03_000182 CCOC1=C2C(N(CC2C3C(C1)C(=O)N(C3=O)c4ccccc4)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J04 compound treatment 0.906 1.25 1.24 3.387 3.74 1.64 2.602 2.85508243902439 2.04290358080476 2.845 0.9808 3187986 BCB03_000183 CN1CCC(=CC1c2ccc(CN3CCCC3)cc2)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J05 mock treatment -0.014 0.331 0.33 -0.742 -0.384 -0.36 -0.247 0.00608243902438999 0.00762578300788645 -0.0111 -0.0228 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J06 mock treatment -1.037 -0.692 -0.69 -1.906 -1.55 -1.43 -2.832 -2.57891756097561 -3.23328612689218 -3.0917 -0.858 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J07 compound treatment -0.456 -0.111 -0.11 -0.57 -0.212 -0.2 -0.267 -0.01391756097561 -0.0174489706470464 -0.1873 -0.8282 3001173 BCB03_000184 CCOC1=C2C(N(CC2n3n(C1)c(=O)n(c4ccccc4)c3=O)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J08 compound treatment 0.407 0.752 0.75 0.188 0.546 0.51 -0.38 -0.12691756097561 -0.159121328797417 0.6315 0.6892 3070607 BCB03_000185 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3ccc(CN4CCCC4)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J09 compound treatment -0.105 0.24 0.24 0.306 0.664 0.61 0.139 0.39208243902439 0.49156852854809 0.7764 0.9441 3001174 BCB03_000186 Cc1ccc(cc1)C2C3C(CN2S(=O)(=O)c4ccc(C)cc4)C5C(CC3=O)C(=O)N(C5=O)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J10 compound treatment -2.238 -1.89 -1.88 -1.768 -1.41 -1.31 -1.018 -0.76491756097561 -0.959005970389775 -2.3942 -0.9641 3070608 BCB03_000187 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4cccs4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J11 compound treatment 0.377 0.722 0.72 -1.066 -0.708 -0.66 0.165 0.41808243902439 0.524165708299503 0.3384 0.3063 3092789 BCB03_000188 CCN1C(=O)C2CC(=O)C3C(N(CC3C2C1=O)S(=O)(=O)c4ccc(C)cc4)c5ccc(C)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J12 compound treatment -1.255 -0.91 -0.9 -0.932 -0.574 -0.53 -0.666 -0.41291756097561 -0.517690306062957 -1.1282 -0.9642 3070609 BCB03_000189 CN1CCC(=CC1C2CC2)c3ccc(CO)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J13 compound treatment 0.556 0.901 0.9 0.493 0.851 0.79 0.195 0.44808243902439 0.561777838781902 1.2963 0.9831 3092790 BCB03_000190 CC[C@@H]1[C@@H]2[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J14 compound treatment -1.755 -1.41 -1.4 -3.12 -2.76 -2.56 -1.684 -1.43091756097561 -1.79399526709904 -3.3218 -0.9701 3187991 BCB03_000191 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J15 compound treatment 0.429 0.774 0.77 0.361 0.719 0.67 0.945 1.19808243902439 1.50208110084188 1.6957 0.9347 3092866 BCB03_000192 CC[C@@H]1[C@H]2[C@@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J16 compound treatment -1.245 -0.9 -0.89 -2.918 -2.56 -2.37 -2.775 -2.52191756097561 -3.16182307897563 -3.7108 -0.9158 3187992 BCB03_000193 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J17 compound treatment -0.402 -0.0569 -0.06 -0.426 -0.0684 -0.06 -0.526 -0.27291756097561 -0.342167030478427 -0.2668 -0.7567 3092867 BCB03_000194 CCOC(=O)C1=CC[C@H](N([C@H]1CC)S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J18 compound treatment -0.369 -0.0239 -0.02 -0.745 -0.387 -0.36 -1.279 -1.02591756097561 -1.28623150558665 -0.9634 -0.7214 3187993 BCB03_000195 CN1C(C2CC2)C3C4C(C1C=C3CCCO)C(=O)N(C(=O)N)C4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J19 compound treatment -0.361 -0.0159 -0.02 0.273 0.631 0.58 -0.213 0.04008243902439 0.0502528642212723 0.357 0.6089 3092868 BCB03_000196 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J20 compound treatment -1.091 -0.746 -0.74 -1.917 -1.56 -1.44 -1.127 -0.87391756097561 -1.09566337780916 -1.8944 -0.9673 3187994 BCB03_000197 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C3CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J21 mock treatment -0.302 0.0431 0.04 -0.735 -0.377 -0.35 -0.396 -0.14291756097561 -0.179181131721363 -0.2805 -0.71 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J22 mock treatment -2.016 -1.67 -1.66 -3.074 -2.72 -2.52 -1.302 -1.04891756097561 -1.31506747228982 -3.1705 -0.9641 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J23 compound treatment -0.614 -0.269 -0.27 -0.94 -0.582 -0.54 -0.387 -0.13391756097561 -0.167897492576643 -0.5626 -0.9004 3092869 BCB03_000198 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 J24 compound treatment -1.398 -1.05 -1.05 -1.911 -1.55 -1.44 -0.939 -0.68591756097561 -0.85996069345279 -1.9313 -0.9774 3070656 BCB03_000199 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)CCCO)C(=O)OCCS(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K01 compound treatment 0.117 0.462 0.46 -0.13 0.228 0.21 0.228 0.48108243902439 0.603151182312542 0.7351 0.9342 3005761 BCB03_000200 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K02 compound treatment -0.066 0.279 0.28 -0.055 0.303 0.28 1.007 1.26008243902439 1.57452317815833 1.231 0.7584 3000955 BCB03_000201 CCOC(=O)C1=CC[C@H](N([C@H]1C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K03 compound treatment -0.324 0.0211 0.02 -0.001 0.357 0.33 -0.049 0.20408243902439 0.255865844191722 0.3505 0.8379 1952748 BCB03_000202 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K04 compound treatment -0.148 0.197 0.2 -0.141 0.217 0.2 -0.022 0.23108243902439 0.289716761625881 0.3962 0.9827 3092688 BCB03_000203 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccncc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K05 compound treatment -0.402 -0.0569 -0.06 -0.913 -0.555 -0.51 -0.757 -0.50391756097561 -0.631780435192901 -0.6943 -0.8503 1107217 BCB03_000204 Cc1cccnc1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K06 compound treatment -0.348 -0.00293 0.0 -0.545 -0.187 -0.17 -0.288 -0.03491756097561 -0.0437774619847259 -0.1271 -0.7104 3000965 BCB03_000205 CCOC(=O)C1=CC[C@H](N([C@H]1C=C(C)C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K07 mock treatment -0.508 -0.163 -0.16 -0.305 0.0526 0.05 -0.383 -0.12991756097561 -0.162882541845657 -0.1594 -0.679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K08 mock treatment -0.439 -0.0939 -0.09 -0.288 0.0696 0.06 -0.325 -0.07191756097561 -0.0901657562463517 -0.0688 -0.4744 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K09 compound treatment -1.036 -0.691 -0.69 -0.536 -0.178 -0.17 -0.166 0.08708243902439 0.109178535310364 -0.4289 -0.6 3005761 BCB03_000206 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K10 compound treatment 0.277 0.622 0.62 0.424 0.782 0.72 0.229 0.48208243902439 0.604404919995288 1.1239 0.9966 3000966 BCB03_000207 CCOC(=O)C1=CC[C@H](N([C@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K11 compound treatment -0.293 0.0521 0.05 -0.219 0.139 0.13 -0.226 0.02708243902439 0.0339542743455659 0.1236 0.8673 1952755 BCB03_000208 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K12 compound treatment 0.008 0.353 0.35 0.019 0.377 0.35 0.144 0.39708243902439 0.497837216961824 0.6914 0.9851 3092692 BCB03_000209 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K13 compound treatment 0.024 0.369 0.37 0.441 0.799 0.74 -0.135 0.11808243902439 0.14804440347551 0.7242 0.8636 1952760 BCB03_000210 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K14 compound treatment -0.068 0.277 0.28 1.137 1.49 1.3 -0.312 -0.05891756097561 -0.0738671663706453 0.8662 0.6514 3092693 BCB03_000211 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K15 mock treatment -0.292 0.0531 0.05 0.017 0.375 0.35 0.428 0.68108243902439 0.85389871886187 0.7237 0.784 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K16 mock treatment -0.182 0.163 0.16 -0.321 0.0366 0.03 -0.508 -0.25491756097561 -0.319599752188987 -0.0714 -0.1982 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K17 compound treatment -0.341 0.00407 0.0 -1.571 -1.21 -1.12 -1.171 -0.91791756097561 -1.15082783585001 -1.3108 -0.815 1952770 BCB03_000212 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K18 compound treatment -0.182 0.163 0.16 0.083 0.441 0.41 0.317 0.57008243902439 0.714733836076993 0.7418 0.8844 3000969 BCB03_000213 CCOC(=O)C1=CC[C@H](N([C@H]1C=C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K19 compound treatment -0.731 -0.386 -0.38 -1.174 -0.816 -0.76 -1.056 -0.80291756097561 -1.00664800233415 -1.2391 -0.9416 3000871 BCB03_000214 O=c1cccc(o1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K20 compound treatment 0.2 0.545 0.54 0.474 0.832 0.77 0.66 0.91308243902439 1.14476586125909 1.4184 0.9569 3001047 BCB03_000215 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(c(OC)c4)c5ccc(OCc6ccccc6)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K21 compound treatment -0.211 0.134 0.13 -0.486 -0.128 -0.12 -0.062 0.19108243902439 0.239567254316015 0.1466 0.4907 3000872 BCB03_000216 COc1cccc(c1)c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K22 compound treatment -0.383 -0.0379 -0.04 -0.602 -0.244 -0.23 -0.271 -0.01791756097561 -0.022463921378033 -0.1654 -0.7175 3001048 BCB03_000217 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K23 mock treatment -1.062 -0.717 -0.71 -0.232 0.126 0.12 -0.362 -0.10891756097561 -0.136554050507977 -0.4232 -0.5758 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 K24 mock treatment -1.331 -0.986 -0.98 -0.599 -0.241 -0.22 -0.76 -0.50691756097561 -0.635541648241141 -1.0619 -0.8928 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L01 compound treatment -0.306 0.0391 0.04 -0.485 -0.127 -0.12 0.486 0.73908243902439 0.926615504461175 0.4893 0.5234 3092870 BCB03_000218 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L02 compound treatment -1.028 -0.683 -0.68 -0.794 -0.436 -0.4 0.075 0.32808243902439 0.411329316852305 -0.3878 -0.4354 3188115 BCB03_000219 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4cccs4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L03 compound treatment -0.439 -0.0939 -0.09 -0.463 -0.105 -0.1 -0.349 -0.09591756097561 -0.120255460632271 -0.1797 -0.9936 3092871 BCB03_000220 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(Br)c2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCC=C)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L04 compound treatment -0.62 -0.275 -0.27 -1.388 -1.03 -0.95 -1.503 -1.24991756097561 -1.5670687465219 -1.6134 -0.8698 3188116 BCB03_000221 CC1C=C(CCCO)C=C(C(=O)OCCS(=O)(=O)C)C(=CN1Cc2cccc(OC(F)(F)F)c2)C(=O)OCCS(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L05 compound treatment -0.074 0.271 0.27 0.174 0.532 0.49 0.81 1.06308243902439 1.33282651367109 1.2093 0.8362 3092774 BCB03_000222 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L06 compound treatment -0.529 -0.184 -0.18 -1.753 -1.4 -1.29 -1.536 -1.28291756097561 -1.60844209005254 -1.7802 -0.8595 3188117 BCB03_000223 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L07 mock treatment -0.308 0.0371 0.04 -0.159 0.199 0.18 -0.213 0.04008243902439 0.0502528642212723 0.1565 0.8058 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L08 mock treatment -1.227 -0.882 -0.88 -2.019 -1.66 -1.54 -2.227 -1.97391756097561 -2.47477482883047 -2.8232 -0.9278 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L09 compound treatment -0.575 -0.23 -0.23 -0.727 -0.369 -0.34 -0.627 -0.37391756097561 -0.468794536435838 -0.6001 -0.9622 3187870 BCB03_000224 COC(=O)C[C@H]1O[C@@H](CCc2ccccc2)[C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L10 compound treatment -0.267 0.0781 0.08 0.81 1.17 1.08 -0.535 -0.28191756097561 -0.353450669623147 0.4649 0.4078 3188119 BCB03_000225 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L11 compound treatment -0.385 -0.0399 -0.04 -0.506 -0.148 -0.14 -0.395 -0.14191756097561 -0.177927394038617 -0.205 -0.8979 3071511 BCB03_000226 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(I)cc52 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L12 compound treatment -1.619 -1.27 -1.27 -1.634 -1.28 -1.18 -1.483 -1.22991756097561 -1.54199399286696 -2.3038 -0.9934 3188120 BCB03_000227 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L13 compound treatment -0.061 0.284 0.28 -0.021 0.337 0.31 0.028 0.28108243902439 0.352403645763213 0.5465 0.9959 3187872 BCB03_000228 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc52 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L14 compound treatment -0.339 0.00607 0.01 -1.521 -1.16 -1.08 -1.213 -0.95991756097561 -1.20348481852537 -1.3133 -0.8131 3188122 BCB03_000229 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CO)cc3)c4cccs4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L15 mock treatment 0.102 0.447 0.44 0.064 0.422 0.39 -0.267 -0.01391756097561 -0.0174489706470464 0.4719 0.7974 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L16 mock treatment -1.53 -1.18 -1.18 -1.601 -1.24 -1.15 -0.856 -0.60291756097561 -0.755900465784819 -1.7813 -0.9828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L17 compound treatment 0.487 0.832 0.83 -0.177 0.181 0.17 -0.304 -0.05091756097561 -0.0638372649086722 0.5373 0.6348 3414061 BCB03_000230 COC(=O)C[C@@H]1C[C@H](C)[C@]2(O1)C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L18 compound treatment -1.572 -1.23 -1.22 -1.888 -1.53 -1.42 -1.332 -1.07891756097561 -1.35267960277222 -2.3033 -0.9981 3188123 BCB03_000231 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L19 compound treatment 0.144 0.489 0.49 0.072 0.43 0.4 0.139 0.39208243902439 0.49156852854809 0.7942 0.9956 3071513 BCB03_000232 CC(C)[Si](OCC[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)O)C(=O)N(Cc3ccccc3)c4ccccc42)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L20 compound treatment -1.287 -0.942 -0.94 -0.862 -0.504 -0.47 -0.587 -0.33391756097561 -0.418645029125972 -1.052 -0.9334 3188124 BCB03_000233 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L21 compound treatment 0.275 0.62 0.62 -0.067 0.291 0.27 -0.141 0.11208243902439 0.140521977379031 0.5924 0.8621 3071514 BCB03_000234 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccccc53 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L22 compound treatment -0.789 -0.444 -0.44 -1.003 -0.645 -0.6 -0.819 -0.56591756097561 -0.709512171523193 -1.0095 -0.9827 3188125 BCB03_000235 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L23 mock treatment -0.71 -0.365 -0.36 -0.333 0.0246 0.02 -0.349 -0.09591756097561 -0.120255460632271 -0.2657 -0.694 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 L24 mock treatment -2.037 -1.69 -1.68 -1.578 -1.22 -1.13 -0.984 -0.73091756097561 -0.916378889176389 -2.1526 -0.9679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M01 compound treatment -0.34 0.00507 0.01 -1.204 -0.846 -0.78 -0.575 -0.32191756097561 -0.403600176933012 -0.6826 -0.7743 1984103 BCB03_000236 Cc1ccc(cc1)c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M02 compound treatment 0.786 1.13 1.12 0.5 0.858 0.79 -0.023 0.23008243902439 0.288463023943134 1.2742 0.906 3001049 BCB03_000237 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M03 compound treatment -0.633 -0.288 -0.29 -0.553 -0.195 -0.18 -0.646 -0.39291756097561 -0.492615552408024 -0.5541 -0.927 3000873 BCB03_000238 Clc1cccc(c1)c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M04 compound treatment -0.478 -0.133 -0.13 -0.415 -0.0574 -0.05 -0.953 -0.69991756097561 -0.877513021011243 -0.6136 -0.6902 3092778 BCB03_000239 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(CC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M05 compound treatment -0.829 -0.484 -0.48 -0.402 -0.0444 -0.04 -0.58 -0.32691756097561 -0.409868865346745 -0.5381 -0.8497 3000875 BCB03_000240 Clc1ccccc1c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M06 compound treatment -0.491 -0.146 -0.15 0.064 0.422 0.39 -0.02 0.23308243902439 0.292224236991374 0.3103 0.61 3001168 BCB03_000241 CCOC(=O)C1=C(N([C@@H](CC1)c2ccccc2)S(=O)(=O)CC[Si](C)(C)C)C(=O)OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M07 compound treatment -0.385 -0.0399 -0.04 -0.521 -0.163 -0.15 -0.42 -0.16691756097561 -0.209270836107283 -0.2311 -0.8845 3000956 BCB03_000242 CCCc1cccc(=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M08 compound treatment 0.385 0.73 0.73 0.27 0.628 0.58 0.175 0.42808243902439 0.53670308512697 1.0644 0.9915 3092780 BCB03_000243 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4cc(Cl)ccc4Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M09 mock treatment -0.153 0.192 0.19 -0.379 -0.0214 -0.02 -0.347 -0.09391756097561 -0.117747985266778 0.0308 0.1369 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M10 mock treatment -0.598 -0.253 -0.25 -0.685 -0.327 -0.3 -0.239 0.01408243902439 0.0176556844698596 -0.31 -0.7863 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M11 compound treatment -0.722 -0.377 -0.37 -0.318 0.0396 0.04 -0.159 0.09408243902439 0.117954699089591 -0.1271 -0.3221 3000957 BCB03_000244 Fc1ccc(cc1)c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M12 compound treatment -0.716 -0.371 -0.37 -1.201 -0.843 -0.78 -0.34 -0.08691756097561 -0.108971821487551 -0.7267 -0.8348 3092781 BCB03_000245 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M13 mock treatment -0.102 0.243 0.24 -0.54 -0.182 -0.17 -0.421 -0.16791756097561 -0.210524573790029 -0.0795 -0.2196 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M14 mock treatment -0.328 0.0171 0.02 -0.781 -0.423 -0.39 -0.344 -0.09091756097561 -0.113986772218538 -0.2824 -0.691 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M15 compound treatment -0.657 -0.312 -0.31 -0.518 -0.16 -0.15 -0.643 -0.38991756097561 -0.488854339359784 -0.547 -0.9153 3000958 BCB03_000246 O=c1cccc(o1)c2ccc(C#N)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M16 compound treatment 0.437 0.782 0.78 0.347 0.705 0.65 1.622 1.87508243902439 1.81469125672151 1.8733 0.9009 3001177 BCB03_000247 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccco3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M17 compound treatment -1.004 -0.659 -0.66 -0.66 -0.302 -0.28 -0.991 -0.73791756097561 -0.925155052955615 -1.074 -0.9198 3092682 BCB03_000248 FC(F)(F)c1ccc(cc1)c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M18 compound treatment -0.263 0.0821 0.08 -0.169 0.189 0.17 0.977 1.23008243902439 1.54220070668978 1.0383 0.6681 3001178 BCB03_000249 CCOC(=O)C1=CC[C@H](N([C@@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M19 compound treatment -0.724 -0.379 -0.38 -0.647 -0.289 -0.27 -0.51 -0.25691756097561 -0.32210722755448 -0.5582 -0.9906 3000960 BCB03_000250 FC(F)(F)c1ccccc1c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M20 compound treatment 0.396 0.741 0.74 0.214 0.572 0.53 0.16 0.41308243902439 0.51789701988577 1.0299 0.986 3001179 BCB03_000251 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)CC[Si](C)(C)C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M21 compound treatment -1.08 -0.735 -0.73 -0.984 -0.626 -0.58 -0.766 -0.51291756097561 -0.643064074337621 -1.128 -0.9955 3000961 BCB03_000252 O=c1cccc(o1)c2ccc3ccccc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M22 compound treatment -0.155 0.19 0.19 0.41 0.768 0.71 0.267 0.52008243902439 0.652046951939661 0.8959 0.9115 3001245 BCB03_000253 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccn3C(=O)OC(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M23 compound treatment -0.528 -0.183 -0.18 -0.397 -0.0394 -0.04 -0.051 0.20208243902439 0.253358368826228 0.0202 0.0644 3092685 BCB03_000254 O=c1cccc(o1)c2ccco2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 M24 compound treatment 0.11 0.455 0.45 0.698 1.06 0.98 0.561 0.81408243902439 1.02064583066717 1.4148 0.9535 3001246 BCB03_000255 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N01 compound treatment 1.042 1.39 1.35 1.158 1.52 1.3 1.331 1.58408243902439 1.71514737825686 2.524 0.9922 3071515 BCB03_000256 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(C)cc3)C(=O)N(C)c4ccccc42 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N02 compound treatment -1.166 -0.821 -0.82 -1.976 -1.62 -1.5 -1.321 -1.06791756097561 -1.33888848826201 -2.1094 -0.9725 3188247 BCB03_000257 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N03 compound treatment 0.163 0.508 0.51 0.406 0.764 0.71 -0.097 0.15608243902439 0.195686435419883 0.8128 0.9126 3071516 BCB03_000258 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(C)c4ccccc42 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N04 compound treatment -0.846 -0.501 -0.5 -1.918 -1.56 -1.44 -2.038 -1.78491756097561 -2.23781840679135 -2.4137 -0.8907 3188248 BCB03_000259 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N05 compound treatment -0.102 0.243 0.24 -0.285 0.0726 0.07 0.034 0.28708243902439 0.359926071859693 0.3861 0.8802 3414062 BCB03_000260 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccccc3)C(=O)N(C)c4ccccc42 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N06 compound treatment -0.331 0.0141 0.01 -0.077 0.281 0.26 0.02 0.27308243902439 0.34237374430124 0.3558 0.8273 3188250 BCB03_000261 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N07 compound treatment 0.25 0.595 0.59 0.078 0.436 0.4 0.144 0.39708243902439 0.497837216961824 0.8619 0.9883 3188927 BCB03_000262 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)F)C(=O)N(C)c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N08 compound treatment -0.624 -0.279 -0.28 -1.039 -0.681 -0.63 -0.504 -0.25091756097561 -0.314584801458001 -0.706 -0.9319 3188251 BCB03_000263 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CN4CCCC4)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N09 mock treatment -0.333 0.0121 0.01 -0.771 -0.413 -0.38 -0.383 -0.12991756097561 -0.162882541845657 -0.3081 -0.7404 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N10 mock treatment -2.165 -1.82 -1.81 -2.495 -2.14 -1.98 -1.34 -1.08691756097561 -1.36270950423419 -2.974 -0.9887 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N11 compound treatment 0.184 0.529 0.53 0.235 0.593 0.55 0.446 0.69908243902439 0.876465997151309 1.1265 0.971 3071435 BCB03_000264 COC(=O)C[C@H]1O[C@@]2(C[C@@H]1[Si](C)(C)C)C(=O)N(C)c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N12 compound treatment -1.21 -0.865 -0.86 -1.44 -1.08 -1.0 -0.697 -0.44391756097561 -0.556556174228103 -1.3964 -0.9744 3188252 BCB03_000265 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N13 mock treatment -0.045 0.3 0.3 -0.078 0.28 0.26 -0.131 0.12208243902439 0.153059354206497 0.4101 0.968 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N14 mock treatment -1.514 -1.17 -1.16 -2.0 -1.64 -1.52 -1.716 -1.46291756097561 -1.83411487294693 -2.6079 -0.9838 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N15 compound treatment 0.625 0.97 0.96 0.307 0.665 0.62 0.045 0.29808243902439 0.373717186369906 1.1279 0.9371 3188929 BCB03_000266 COC(=O)C/C=C/C[C@]1(O)C(=O)N(C)c2ccccc21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N16 compound treatment -0.49 -0.145 -0.14 -2.048 -1.69 -1.57 -1.514 -1.26091756097561 -1.58085986103211 -1.8996 -0.8521 3188253 BCB03_000267 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)c3ccc(CO)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N17 compound treatment 0.113 0.458 0.46 0.302 0.66 0.61 0.53 0.78308243902439 0.981779962502027 1.1824 0.9515 3188930 BCB03_000268 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO[Si](C(C)C)(C(C)C)C(C)C)nn2)/C=C/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N18 compound treatment -0.525 -0.18 -0.18 -0.302 0.0556 0.05 -0.108 0.14508243902439 0.18189532090967 0.0315 0.1209 3188254 BCB03_000269 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2ccc(CN3CCCC3)cc2)CCCO)C(=O)OCCS(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N19 compound treatment 0.008 0.353 0.35 -0.124 0.234 0.22 0.157 0.41008243902439 0.51413580683753 0.6244 0.9474 3071465 BCB03_000270 CCCCNC(=O)c1ccc(C#CC(C)(C)C)c(OC(=O)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N20 compound treatment -0.729 -0.384 -0.38 -1.411 -1.05 -0.98 -1.263 -1.00991756097561 -1.2661717026627 -1.5145 -0.9217 3188255 BCB03_000271 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N21 compound treatment 0.423 0.768 0.76 0.429 0.787 0.73 0.356 0.60908243902439 0.763629605704112 1.3023 0.9998 1952196 BCB03_000272 CCCCNC(=O)c1ccc(C#C[Si](C)(C)C)c(OC(=O)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N22 compound treatment -1.243 -0.898 -0.89 -1.889 -1.53 -1.42 -1.235 -0.98191756097561 -1.2310670475458 -2.0448 -0.9835 3188256 BCB03_000273 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2sc3ccccc3c2Cl)c4ccc(CN5CCCC5)cc4)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N23 compound treatment 0.16 0.505 0.5 0.04 0.398 0.37 0.211 0.46408243902439 0.581837641705849 0.8384 0.9838 3071510 BCB03_000274 CCCCNC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC(=O)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 N24 compound treatment -1.179 -0.834 -0.83 -1.945 -1.59 -1.47 -0.878 -0.62491756097561 -0.783482694805245 -1.7796 -0.9565 3188257 BCB03_000275 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O01 compound treatment -0.22 0.125 0.12 0.296 0.654 0.61 -0.441 -0.18791756097561 -0.235599327444962 0.2852 0.4313 3000963 BCB03_000276 O=c1cccc(CCc2ccccc2)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O02 compound treatment 0.153 0.498 0.5 -0.907 -0.549 -0.51 -0.177 0.07608243902439 0.0953874208001514 0.0473 0.066 3001247 BCB03_000277 CCOC(=O)C1=CCC(NC1)c2cc3ccccc3[nH]2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O03 compound treatment -0.208 0.137 0.14 0.094 0.452 0.42 0.146 0.39908243902439 0.500344692327317 0.609 0.9142 3000971 BCB03_000278 [O-][N+](=O)c1ccc(cc1)c2cccc(=O)o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O04 compound treatment -0.432 -0.0869 -0.09 -0.543 -0.185 -0.17 -0.517 -0.26391756097561 -0.330883391333707 -0.34 -0.8887 3001248 BCB03_000279 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccccc2[N+](=O)[O-])c3cc4ccccc4[nH]3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O05 compound treatment -0.165 0.18 0.18 -0.693 -0.335 -0.31 -0.853 -0.59991756097561 -0.752139252736579 -0.5102 -0.6123 3000972 BCB03_000280 O=c1cccc(/C=C/c2ccccc2)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O06 compound treatment -0.558 -0.213 -0.21 -0.314 0.0436 0.04 -0.375 -0.12191756097561 -0.152852640383684 -0.1872 -0.7084 3000756 BCB03_000281 CCOC(=O)C1=CCC(N(CCN2CC(=CCC2c3cc4ccccc4[nH]3)C(=O)OCC)C1)c5cc6ccccc6[nH]5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O07 compound treatment -0.783 -0.438 -0.44 -1.579 -1.22 -1.13 -1.033 -0.77991756097561 -0.977812035630974 -1.4689 -0.9433 3000973 BCB03_000282 O=c1cccc(o1)c2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O08 compound treatment -1.046 -0.701 -0.7 -0.598 -0.24 -0.22 -0.337 -0.08391756097561 -0.105210608439311 -0.5916 -0.8004 3000757 BCB03_000283 CC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O09 compound treatment -0.48 -0.135 -0.13 -0.386 -0.0284 -0.03 -0.662 -0.40891756097561 -0.51267535533197 -0.3886 -0.7324 3000974 BCB03_000284 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O10 compound treatment 0.057 0.402 0.4 -0.451 -0.0934 -0.09 -0.346 -0.09291756097561 -0.116494247584031 0.1136 0.2671 3093828 BCB03_000285 Cc1ccc(cc1)[C@@H]2C[C@@H](Sc3ccccc3)[C@@H](CN2S(=O)(=O)c4ccc(C)cc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O11 mock treatment -0.204 0.141 0.14 -0.02 0.338 0.31 -0.399 -0.14591756097561 -0.182942344769603 0.1558 0.4012 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O12 mock treatment -0.763 -0.418 -0.42 0.333 0.691 0.64 -0.395 -0.14191756097561 -0.177927394038617 0.0266 0.0339 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O13 compound treatment -0.252 0.0931 0.09 0.158 0.516 0.48 -0.411 -0.15791756097561 -0.197987196962563 0.2148 0.409 3092701 BCB03_000286 CCOC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O14 compound treatment 0.059 0.404 0.4 -0.355 0.00261 0.0 -0.164 0.08908243902439 0.111686010675858 0.2978 0.7142 3093829 BCB03_000287 Cc1ccc(cc1)C2CC=C(CN2S(=O)(=O)c3ccc(C)cc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O15 compound treatment 0.78 1.13 1.12 1.378 1.74 1.36 0.943 1.19608243902439 1.49957362547639 2.2977 0.993 3092771 BCB03_000288 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccn2)c3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O16 compound treatment -0.654 -0.309 -0.31 -1.241 -0.883 -0.82 -0.961 -0.70791756097561 -0.887542922473216 -1.162 -0.933 3093830 BCB03_000289 Cc1ccc(cc1)S(=O)(=O)N2CC(=CCC2c3ccccc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O17 compound treatment -0.085 0.26 0.26 -0.682 -0.324 -0.3 -0.463 -0.20991756097561 -0.263181556465388 -0.1761 -0.3701 3092772 BCB03_000290 COC(=O)c1cccc(c1)[C@@H]2C/C(=C\C(=O)OC(C)C)/O[C@@H](O2)c3cccc(c3)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O18 compound treatment -0.353 -0.00793 -0.01 -0.703 -0.345 -0.32 -0.566 -0.31291756097561 -0.392316537788292 -0.4157 -0.8212 3000760 BCB03_000291 Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O19 compound treatment -0.386 -0.0409 -0.04 -0.613 -0.255 -0.24 -0.452 -0.19891756097561 -0.249390441955175 -0.304 -0.8784 3000977 BCB03_000292 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc(C#N)cc2)c3ccc(C#N)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O20 compound treatment -0.746 -0.401 -0.4 -0.447 -0.0894 -0.08 -0.178 0.07508243902439 0.0941336831174048 -0.2236 -0.5351 3093833 BCB03_000293 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O21 compound treatment -0.286 0.0591 0.06 -0.583 -0.225 -0.21 -0.497 -0.24391756097561 -0.305808637678774 -0.2631 -0.702 3092782 BCB03_000294 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O22 compound treatment -1.36 -1.01 -1.01 0.554 0.912 0.84 0.281 0.53408243902439 0.669599279498114 0.2914 0.1974 3093834 BCB03_000295 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(C#N)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O23 compound treatment -1.285 -0.94 -0.93 -0.987 -0.629 -0.58 -0.99 -0.73691756097561 -0.923901315272869 -1.4094 -0.9804 3092786 BCB03_000296 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 O24 compound treatment -0.76 -0.415 -0.41 -0.511 -0.153 -0.14 -0.601 -0.34791756097561 -0.436197356684425 -0.572 -0.9272 3093844 BCB03_000297 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P01 compound treatment -2.12 -1.77 -1.76 -1.194 -0.836 -0.77 -0.89 -0.63691756097561 -0.798527546998205 -1.9269 -0.9238 3071725 BCB03_000298 COC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P02 compound treatment -0.678 -0.333 -0.33 -1.748 -1.39 -1.29 -1.286 -1.03291756097561 -1.29500766936588 -1.6821 -0.9064 3188381 BCB03_000299 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)c3ccc(CO)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P03 compound treatment -1.488 -1.14 -1.14 -1.533 -1.18 -1.09 -1.508 -1.25491756097561 -1.57333743493563 -2.1927 -0.9855 3188399 BCB03_000300 COC(=O)[C@H](Cc1ccc(O)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P04 compound treatment -0.935 -0.59 -0.59 -1.391 -1.03 -0.96 -0.638 -0.38491756097561 -0.482585650946051 -1.1697 -0.9575 3070118 BCB03_000301 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P05 compound treatment -0.05 0.295 0.29 -0.716 -0.358 -0.33 -0.799 -0.54591756097561 -0.68443741786826 -0.4174 -0.512 3188400 BCB03_000302 COC(=O)[C@H](Cc1ccc(OCC#C)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P06 compound treatment -1.537 -1.19 -1.18 -1.685 -1.33 -1.23 -1.451 -1.19791756097561 -1.50187438701907 -2.2609 -0.9943 3070119 BCB03_000303 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cccc(OC(F)(F)F)c3)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P07 compound treatment -1.109 -0.764 -0.76 -1.492 -1.13 -1.05 -1.331 -1.07791756097561 -1.35142586508947 -1.8252 -0.9747 3188401 BCB03_000304 Oc1ccc(C[C@@H]2N(CC#C)[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P08 compound treatment -1.427 -1.08 -1.08 -1.444 -1.09 -1.01 -0.754 -0.50091756097561 -0.628019222144661 -1.5644 -0.9771 3188385 BCB03_000305 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3ccc(CN4CCCC4)cc3)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P09 compound treatment -2.132 -1.79 -1.78 -0.563 -0.205 -0.19 -0.917 -0.66391756097561 -0.832378464432364 -1.616 -0.8199 3188402 BCB03_000306 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccc(OCC#C)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P10 compound treatment -1.907 -1.56 -1.55 -1.361 -1.0 -0.93 -0.749 -0.49591756097561 -0.621750533730928 -1.7919 -0.9365 3188386 BCB03_000307 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P11 mock treatment -0.643 -0.298 -0.3 -0.255 0.103 0.1 -0.236 0.01708243902439 0.0214168975180995 -0.1038 -0.3329 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P12 mock treatment -2.3 -1.95 -1.94 -1.329 -0.971 -0.9 -0.777 -0.52391756097561 -0.656855188847834 -2.0206 -0.9021 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P13 compound treatment 0.787 1.13 1.13 0.145 0.503 0.47 0.098 0.35108243902439 0.440165283555478 1.1726 0.9055 3070937 BCB03_000308 COC(=O)[C@H](Cc1ccc(O)cc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P14 compound treatment -0.859 -0.514 -0.51 -1.606 -1.25 -1.16 -0.775 -0.52191756097561 -0.654347713482341 -1.3402 -0.9417 3188387 BCB03_000309 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P15 compound treatment 0.635 0.98 0.97 0.193 0.551 0.51 0.383 0.63608243902439 0.797480523138271 1.3173 0.9698 3188528 BCB03_000310 Oc1ccc(C[C@@H]2N3CC4=CCCC=C[C@@H]4[C@H]3[C@@H](Cc5ccccc5)OC2=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P16 compound treatment -1.086 -0.741 -0.74 -2.065 -1.71 -1.58 -0.588 -0.33491756097561 -0.419898766808719 -1.5805 -0.881 3070122 BCB03_000311 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2ccc(CN3CCCC3)cc2)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P17 compound treatment 0.518 0.863 0.86 0.353 0.711 0.66 0.32 0.57308243902439 0.718495049125233 1.2901 0.9937 3188529 BCB03_000312 COC(=O)[C@H](Cc1ccccc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P18 compound treatment -1.526 -1.18 -1.17 -1.269 -0.911 -0.84 -1.441 -1.18791756097561 -1.4893370101916 -2.0249 -0.9755 3188390 BCB03_000313 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)c5ccc(CO)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P19 compound treatment -1.71 -1.36 -1.36 -1.359 -1.0 -0.93 -1.296 -1.04291756097561 -1.30754504619334 -2.0737 -0.9874 3188530 BCB03_000314 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P20 compound treatment -1.292 -0.947 -0.94 -1.177 -0.819 -0.76 -1.038 -0.78491756097561 -0.984080724044708 -1.5497 -0.9941 3188503 BCB03_000315 COP(=O)(OC)/N=C\1/CC(=CC(C)N1Cc2cccc(OC(F)(F)F)c2)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P21 compound treatment 0.145 0.49 0.49 0.496 0.854 0.79 0.364 0.61708243902439 0.773659507166085 1.1843 0.9799 3070940 BCB03_000316 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P22 compound treatment -1.086 -0.741 -0.74 -0.666 -0.308 -0.29 -0.558 -0.30491756097561 -0.382286636326319 -0.8109 -0.9239 3070124 BCB03_000317 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4ccc(CN5CCCC5)cc4)CCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P23 compound treatment 0.511 0.856 0.85 0.323 0.681 0.63 0.163 0.41608243902439 0.52165823293401 1.1564 0.9796 3188533 BCB03_000318 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2281 P24 compound treatment -0.382 -0.0369 -0.04 -0.642 -0.284 -0.26 -0.539 -0.28591756097561 -0.358465620354133 -0.3802 -0.8519 3188506 BCB03_000319 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)c5ccc(CO)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A01 compound treatment -1.434 -1.09 -1.08 -3.478 -3.12 -2.89 -2.038 -1.78491756097561 -2.23781840679135 -3.5852 -0.9406 3188507 BCB03_000320 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(o3)c4ccc(Cl)c(Cl)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A02 compound treatment -0.171 0.174 0.17 -0.361 -0.00339 0.0 -0.776 -0.52291756097561 -0.655601451165087 -0.2804 -0.4136 3071186 BCB03_000321 COc1ccc(cc1)[C@H]2OC[C@@H]3CCC(=O)N23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A03 compound treatment -0.93 -0.585 -0.58 -1.333 -0.975 -0.9 -1.355 -1.10191756097561 -1.38151556947539 -1.6548 -0.9456 3070126 BCB03_000322 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A04 compound treatment 3.01 3.36 1.72 0.132 0.49 0.45 -0.35 -0.09691756097561 -0.121509198315018 1.1842 0.6645 3071252 BCB03_000323 COc1cccc(C[C@H]2C[C@@H](CO)NC2=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A05 compound treatment 0.1 0.445 0.44 0.18 0.538 0.5 0.079 0.33208243902439 0.416344267583292 0.7832 0.9972 3070127 BCB03_000324 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A06 compound treatment -0.502 -0.157 -0.16 0.453 0.811 0.75 0.917 1.17008243902439 1.46697644572498 1.1902 0.7191 3071181 BCB03_000325 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@]4(O[C@@]23[C@H]5[C@@H]4C(=O)N(C)C5=O)C(=O)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A07 compound treatment -0.977 -0.632 -0.63 -0.749 -0.391 -0.36 -0.538 -0.28491756097561 -0.357211882671386 -0.7782 -0.9625 3070128 BCB03_000326 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3CO[Si](C(C)C)(C(C)C)c31 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A08 compound treatment 0.584 0.929 0.92 0.277 0.635 0.59 0.272 0.52508243902439 0.658315640353394 1.2526 0.9806 3189172 BCB03_000327 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@@]4(O[C@]23[C@@H]5[C@H]4C(=O)N(C)C5=O)C(=O)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A09 compound treatment -1.085 -0.74 -0.74 -1.556 -1.2 -1.11 -1.076 -0.82291756097561 -1.03172275598908 -1.661 -0.9862 3070129 BCB03_000328 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C3CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A10 compound treatment -0.256 0.0891 0.09 -0.456 -0.0984 -0.09 -0.366 -0.11291756097561 -0.141569001238964 -0.0832 -0.4375 3071185 BCB03_000329 COc1ccc(cc1)[C@H]2OC[C@@H]3CC4(CC=CC4)C(=O)N23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A11 compound treatment 0.163 0.508 0.51 -0.047 0.311 0.29 0.411 0.66408243902439 0.832585178255177 0.9384 0.9241 3188514 BCB03_000330 CCCCCCc1nc(c2ccc(o2)c3ccc(Cl)c(Cl)c3)c(C)c4CO[Si](C(C)C)(C(C)C)c41 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A12 compound treatment 0.127 0.472 0.47 0.148 0.506 0.47 0.167 0.42008243902439 0.526673183664996 0.8453 0.9984 3189173 BCB03_000331 NC(=N)NCc1cn(CCc2c[nH]c3ccccc23)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A13 mock treatment -1.079 -0.734 -0.73 -2.92 -2.56 -2.37 -1.726 -1.47291756097561 -1.8466522497744 -2.8573 -0.9235 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A14 mock treatment 0.001 0.346 0.34 0.237 0.595 0.55 -0.316 -0.06291756097561 -0.0788821171016319 0.471 0.7201 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A15 compound treatment -0.789 -0.444 -0.44 -1.257 -0.899 -0.83 -0.982 -0.72891756097561 -0.913871413810896 -1.2632 -0.9622 3070178 BCB03_000332 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A16 compound treatment -0.583 -0.238 -0.24 -0.579 -0.221 -0.2 -0.495 -0.24191756097561 -0.303301162313281 -0.43 -0.9866 3071253 BCB03_000333 COC(=O)c1c(CC[C@@H](CO)NC(=O)N(C)Cc2ccccc2)oc(C(=O)OCC=C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A17 compound treatment -0.843 -0.498 -0.5 -0.643 -0.285 -0.26 -0.778 -0.52491756097561 -0.658108926530581 -0.8183 -0.9462 3070179 BCB03_000334 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A18 compound treatment -1.009 -0.664 -0.66 -0.065 0.293 0.27 -0.383 -0.12991756097561 -0.162882541845657 -0.3187 -0.4355 3071184 BCB03_000335 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@@H](Cc4ccccc4)C(=O)N23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A19 compound treatment 0.127 0.472 0.47 0.043 0.401 0.37 -0.068 0.18508243902439 0.232044828219535 0.6191 0.9649 3070180 BCB03_000336 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A20 compound treatment -0.639 -0.294 -0.29 -0.624 -0.266 -0.25 -0.571 -0.31791756097561 -0.398585226202026 -0.5412 -0.9799 3071183 BCB03_000337 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@H](Cc4ccccc4)C(=O)N23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A21 compound treatment -0.619 -0.274 -0.27 -0.897 -0.539 -0.5 -0.273 -0.01991756097561 -0.0249713967435263 -0.46 -0.8079 3070181 BCB03_000338 CCCCCCc1nc(C2CC2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A22 compound treatment 0.752 1.1 1.09 0.028 0.386 0.36 0.093 0.34608243902439 0.433896595141745 1.0864 0.8854 3189417 BCB03_000339 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(COC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A23 compound treatment -2.382 -2.04 -2.03 -3.609 -3.25 -3.01 -1.411 -1.15791756097561 -1.45172487970921 -3.7455 -0.9584 3188651 BCB03_000340 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 A24 compound treatment -1.863 -1.52 -1.51 -2.635 -2.28 -2.11 -1.383 -1.12991756097561 -1.4166202245923 -2.9066 -0.9837 3070196 BCB03_000341 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B01 compound treatment -0.403 -0.0579 -0.06 -0.704 -0.346 -0.32 -0.375 -0.12191756097561 -0.152852640383684 -0.3067 -0.852 3188662 BCB03_000342 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@@H]2[C@@H](O)Cc3ccccc3)/C=C/C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B02 compound treatment 0.401 0.746 0.74 0.482 0.84 0.78 0.499 0.75208243902439 0.942914094336882 1.4215 0.9943 3071724 BCB03_000343 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@]4(CO4)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B03 compound treatment -0.436 -0.0909 -0.09 0.285 0.643 0.6 0.007 0.26008243902439 0.326075154425534 0.4796 0.7007 3188663 BCB03_000344 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B04 compound treatment -1.21 -0.865 -0.86 -1.6 -1.24 -1.15 -1.538 -1.28491756097561 -1.61094956541803 -2.0907 -0.9687 3071727 BCB03_000345 C[C@]12COC[C@@]2(C=C(Br)[C@@H]3C1)C(=O)[C@@]43CO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B05 compound treatment -0.132 0.213 0.21 -1.022 -0.664 -0.62 -0.898 -0.64491756097561 -0.808557448460178 -0.6997 -0.6742 3070955 BCB03_000346 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B06 compound treatment -0.482 -0.137 -0.14 -1.033 -0.675 -0.63 -1.33 -1.07691756097561 -1.35017212740673 -1.2192 -0.8159 3071766 BCB03_000347 CCCCC[C@H]1OC[C@@]2(C=C(Br)[C@@H]3CC12)C(=O)[C@@]43CO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B07 compound treatment -0.448 -0.103 -0.1 -0.184 0.174 0.16 -0.127 0.12608243902439 0.158074304937484 0.125 0.5048 3188666 BCB03_000348 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B08 compound treatment -0.846 -0.501 -0.5 -0.715 -0.357 -0.33 -0.555 -0.30191756097561 -0.378525423278079 -0.6971 -0.9851 3071767 BCB03_000349 CC1(C)OC[C@@]2(C=C(Br)[C@@H]3C[C@H]12)C(=O)[C@@]43CO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B09 compound treatment -1.355 -1.01 -1.0 -1.874 -1.52 -1.4 -1.008 -0.75491756097561 -0.946468593562308 -1.9368 -0.9838 3188667 BCB03_000350 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4ccccc4Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B10 compound treatment -1.338 -0.993 -0.99 -1.098 -0.74 -0.69 -0.565 -0.31191756097561 -0.391062800105546 -1.1915 -0.9428 3071770 BCB03_000351 BrC1=C[C@]23COCC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B11 compound treatment -1.273 -0.928 -0.92 -1.467 -1.11 -1.03 -0.893 -0.63991756097561 -0.802288760046444 -1.5889 -0.995 3188668 BCB03_000352 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c2ccccc2)[C@@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B12 compound treatment 1.165 1.51 1.39 1.379 1.74 1.36 0.661 0.91408243902439 1.14601959894184 2.2513 0.9965 3071774 BCB03_000353 C=CCC1=C[C@H]2[C@H]([C@H]3C=C[C@]2(CC=C)C(=O)[C@@]43CO4)[C@@]5(CO5)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B13 mock treatment -0.816 -0.471 -0.47 -1.037 -0.679 -0.63 -0.894 -0.64091756097561 -0.803542497729191 -1.0974 -0.9774 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B14 mock treatment -0.229 0.116 0.12 -0.852 -0.494 -0.46 -0.575 -0.32191756097561 -0.403600176933012 -0.4307 -0.6934 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B15 compound treatment -1.178 -0.833 -0.83 -0.836 -0.478 -0.44 -0.684 -0.43091756097561 -0.540257584352396 -1.0458 -0.9652 3070996 BCB03_000354 O[C@@H](Cc1ccccc1)[C@@H](/C=C/c2ccccc2)N(CC#C)Cc3ccccc3Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B16 compound treatment -0.25 0.0951 0.09 -1.288 -0.93 -0.86 -1.447 -1.19391756097561 -1.49685943628808 -1.307 -0.7557 3188527 BCB03_000355 CC1=C[C@]2(CO)C(=O)[C@]3(CO3)[C@H]1[C@@H]4[C@@]5(CO5)C(=O)C(=C[C@@]42C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B17 compound treatment -0.499 -0.154 -0.15 -2.956 -2.6 -2.41 -0.584 -0.33091756097561 -0.414883816077732 -1.717 -0.7019 3070997 BCB03_000356 CCCC/C=C/[C@H]([C@@H](O)Cc1ccccc1)N(CC#Cc2ccccc2)Cc3ccccc3Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B18 compound treatment -0.433 -0.0879 -0.09 -1.105 -0.747 -0.69 -1.574 -1.32091756097561 -1.65608412199691 -1.4062 -0.7825 3070938 BCB03_000357 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B19 compound treatment -1.417 -1.07 -1.07 -1.46 -1.1 -1.02 -0.9 -0.64691756097561 -0.811064923825671 -1.6729 -0.9935 3071055 BCB03_000358 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B20 compound treatment -1.319 -0.974 -0.97 -1.812 -1.45 -1.35 -1.077 -0.82391756097561 -1.03297649367183 -1.9329 -0.9892 3070939 BCB03_000359 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)c4ccccc4)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B21 compound treatment -1.18 -0.835 -0.83 -1.969 -1.61 -1.49 -1.289 -1.03591756097561 -1.29876888241411 -2.0905 -0.9745 3188794 BCB03_000360 O[C@@H](Cc1ccccc1)[C@H](NCc2cccc(Cl)c2)/C=C/C3CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B22 compound treatment -1.881 -1.54 -1.53 -2.926 -2.57 -2.38 -1.376 -1.12291756097561 -1.40784406081307 -3.0675 -0.9715 3188531 BCB03_000361 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B23 compound treatment -1.402 -1.06 -1.05 -1.641 -1.28 -1.19 -0.893 -0.63991756097561 -0.802288760046444 -1.756 -0.9878 3188796 BCB03_000362 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4cccc(Cl)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 B24 compound treatment -2.064 -1.72 -1.71 -2.081 -1.72 -1.6 -1.215 -0.96191756097561 -1.20599229389086 -2.6042 -0.9899 3188532 BCB03_000363 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C01 compound treatment -0.994 -0.649 -0.65 -0.764 -0.406 -0.38 -0.823 -0.56991756097561 -0.714527122254179 -1.0023 -0.9697 3070235 BCB03_000364 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4cc(C)c(OC)c(C)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C02 compound treatment -0.294 0.0511 0.05 0.045 0.403 0.37 0.037 0.29008243902439 0.363687284907933 0.4545 0.8686 3189039 BCB03_000365 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C03 compound treatment -0.116 0.229 0.23 -0.65 -0.292 -0.27 -0.02 0.23308243902439 0.292224236991374 0.1439 0.3136 3070236 BCB03_000366 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(OC)nc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C04 compound treatment -1.222 -0.877 -0.87 -1.815 -1.46 -1.35 -1.587 -1.33391756097561 -1.67238271187261 -2.248 -0.9694 3070086 BCB03_000367 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(CCCNC(=N)N)nn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C05 compound treatment -0.142 0.203 0.2 -0.161 0.197 0.18 -0.214 0.03908243902439 0.0489991265385256 0.25 0.9049 3188655 BCB03_000368 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3[C@@H](O[Si](C(C)C)(C(C)C)c31)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C06 compound treatment -1.087 -0.742 -0.74 -1.43 -1.07 -0.99 -1.376 -1.12291756097561 -1.40784406081307 -1.812 -0.9669 3070191 BCB03_000369 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(Cc3ccccc3)nn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C07 compound treatment -0.492 -0.147 -0.15 -0.376 -0.0184 -0.02 -0.901 -0.64791756097561 -0.812318661508418 -0.5632 -0.6822 3188656 BCB03_000370 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C08 compound treatment -0.987 -0.642 -0.64 -0.825 -0.467 -0.43 -0.159 0.09408243902439 0.117954699089591 -0.5502 -0.7054 3071180 BCB03_000371 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C09 compound treatment 0.164 0.509 0.51 0.152 0.51 0.47 0.216 0.46908243902439 0.588106330119582 0.9042 0.9957 3188772 BCB03_000372 CCCCCCc1nc(CCCc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)c4ccccc4)cc5[C@@H](O[Si](C(C)C)(C(C)C)c51)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C10 compound treatment -1.166 -0.821 -0.82 -0.942 -0.584 -0.54 -0.592 -0.33891756097561 -0.424913717539705 -1.0289 -0.9639 3070134 BCB03_000373 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)C3(O)CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C11 mock treatment -0.907 -0.562 -0.56 -0.652 -0.294 -0.27 -0.594 -0.34091756097561 -0.427421192905198 -0.7267 -0.9633 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C12 mock treatment -0.624 -0.279 -0.28 -0.317 0.0406 0.04 -0.181 0.07208243902439 0.0903724700691648 -0.0862 -0.2932 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C13 compound treatment -1.09 -0.745 -0.74 -1.84 -1.48 -1.37 -0.693 -0.43991756097561 -0.551541223497116 -1.5385 -0.93 3070242 BCB03_000374 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C14 compound treatment -0.346 -9.34E-4 0.0 -0.762 -0.404 -0.37 -0.329 -0.07591756097561 -0.0951807069773382 -0.2717 -0.7032 3070089 BCB03_000375 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C15 mock treatment 0.468 0.813 0.81 0.278 0.636 0.59 0.382 0.63508243902439 0.796226785455524 1.2662 0.9906 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C16 mock treatment -0.581 -0.236 -0.23 -0.364 -0.00639 -0.01 -0.352 -0.09891756097561 -0.124016673680511 -0.2104 -0.7929 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C17 compound treatment -0.246 0.0991 0.1 -0.327 0.0306 0.03 -0.641 -0.38791756097561 -0.486346863994291 -0.2076 -0.4176 3070245 BCB03_000376 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C18 compound treatment -0.602 -0.257 -0.26 -0.732 -0.374 -0.35 -0.833 -0.57991756097561 -0.727064499081646 -0.7674 -0.9081 3071179 BCB03_000377 CC(C)[C@@H](C(=O)O)n1cc(nn1)C2(O)CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C19 compound treatment -0.546 -0.201 -0.2 -1.04 -0.682 -0.63 -0.917 -0.66391756097561 -0.832378464432364 -0.9607 -0.903 3070527 BCB03_000378 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C20 compound treatment -0.847 -0.502 -0.5 -1.164 -0.806 -0.75 -0.866 -0.61291756097561 -0.768437842612285 -1.1629 -0.9838 3414058 BCB03_000379 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C21 compound treatment -0.788 -0.443 -0.44 -0.659 -0.301 -0.28 -0.504 -0.25091756097561 -0.314584801458001 -0.597 -0.9804 3070530 BCB03_000380 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)C4CC4)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C22 compound treatment 5.33 5.68 1.89 3.931 4.29 1.68 3.831 4.08408243902439 2.21153042022621 3.3365 0.9937 3189555 BCB03_000381 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C23 compound treatment -2.281 -1.94 -1.92 -1.633 -1.28 -1.18 -1.432 -1.17891756097561 -1.47805337104688 -2.6464 -0.9806 3070081 BCB03_000382 CC(C)[Si]1(OCc2c1c(nc(c3ccc(o3)c4ccc(Cl)c(Cl)c4)c2C)c5ccccc5)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 C24 compound treatment -0.498 -0.153 -0.15 -0.01 0.348 0.32 -0.613 -0.35991756097561 -0.451242208877385 -0.1625 -0.2827 3189558 BCB03_000383 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D01 compound treatment -2.652 -2.31 -2.29 -1.473 -1.12 -1.03 -1.253 -0.99991756097561 -1.25363432583524 -2.6442 -0.9409 3071060 BCB03_000384 O[C@@H](Cc1ccccc1)[C@H](NCc2ccccc2Br)/C=C/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D02 compound treatment -0.424 -0.0789 -0.08 0.091 0.449 0.42 0.857 1.11008243902439 1.39175218476018 0.998 0.6862 3070941 BCB03_000385 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D03 compound treatment 0.128 0.473 0.47 -0.033 0.325 0.3 -0.331 -0.07791756097561 -0.0976881823428315 0.3887 0.6859 3188797 BCB03_000386 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC=C3CN2Cc4cccc(Cl)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D04 compound treatment -0.93 -0.585 -0.58 -0.174 0.184 0.17 -0.123 0.13008243902439 0.16308925566847 -0.1434 -0.2286 3070942 BCB03_000387 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D05 compound treatment -0.845 -0.5 -0.5 -2.026 -1.67 -1.54 -1.921 -1.66791756097561 -2.09113109790999 -2.3862 -0.9015 3188798 BCB03_000388 COC1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c3ccccc3)[C@H](Cc4ccccc4)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D06 compound treatment -0.29 0.0551 0.05 -0.499 -0.141 -0.13 -0.058 0.19508243902439 0.244582205047002 0.0972 0.3439 3070943 BCB03_000389 CC(C)Oc1ccc(cc1)C(=O)N2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D07 compound treatment 0.357 0.702 0.7 0.497 0.855 0.79 0.473 0.72608243902439 0.910316914585469 1.3854 0.9942 3188799 BCB03_000390 CN1C(=O)C2C3[C@H]([C@@H](O)Cc4ccccc4)N(Cc5cccc(Cl)c5)CC3=CC(C6CC6)C2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D08 compound treatment -1.3 -0.955 -0.95 -0.791 -0.433 -0.4 -0.465 -0.21191756097561 -0.265689031830882 -0.9332 -0.8767 3188537 BCB03_000391 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Br)cc3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D09 compound treatment -1.319 -0.974 -0.97 -0.761 -0.403 -0.37 -0.769 -0.51591756097561 -0.646825287385861 -1.1481 -0.9389 3071066 BCB03_000392 O[C@@H](Cc1ccccc1)[C@H](N(CC#C)CC2=CCCCC2)c3ccccc3Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D10 compound treatment -1.069 -0.724 -0.72 -0.953 -0.595 -0.55 -0.771 -0.51791756097561 -0.649332762751354 -1.1087 -0.9942 3070952 BCB03_000393 CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D11 mock treatment -1.312 -0.967 -0.96 -0.442 -0.0844 -0.08 -0.341 -0.08791756097561 -0.110225559170298 -0.6638 -0.6838 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D12 mock treatment -1.703 -1.36 -1.35 -0.376 -0.0184 -0.02 -0.312 -0.05891756097561 -0.0738671663706453 -0.8319 -0.6153 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D13 compound treatment -1.756 -1.41 -1.4 -0.988 -0.63 -0.58 -0.878 -0.62491756097561 -0.783482694805245 -1.5992 -0.9355 3071068 BCB03_000394 O=C(Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D14 compound treatment -0.915 -0.57 -0.57 -1.575 -1.22 -1.13 0.5 0.75308243902439 0.944167832019628 -0.4328 -0.2747 3070953 BCB03_000395 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D15 mock treatment -1.024 -0.679 -0.67 -0.504 -0.146 -0.14 -0.582 -0.32891756097561 -0.412376340712239 -0.706 -0.8798 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D16 mock treatment -0.457 -0.112 -0.11 -0.523 -0.165 -0.15 -0.41 -0.15691756097561 -0.196733459279816 -0.2662 -0.9752 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D17 compound treatment 0.477 0.822 0.82 -0.114 0.244 0.23 -0.042 0.21108243902439 0.264642007970948 0.7549 0.8499 3071112 BCB03_000396 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4cccc(Cl)c4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D18 compound treatment -0.97 -0.625 -0.62 -1.063 -0.705 -0.65 -1.108 -0.85491756097561 -1.07184236183697 -1.3546 -0.9672 3070954 BCB03_000397 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D19 compound treatment -0.797 -0.452 -0.45 -1.065 -0.707 -0.66 -0.783 -0.52991756097561 -0.664377614944314 -1.0211 -0.9861 3188804 BCB03_000398 Clc1cccc(CN2CC3=CCCC=CC3[C@@H]2[C@H](Cc4ccccc4)OC(=O)C=C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D20 compound treatment -1.356 -1.01 -1.01 -0.613 -0.255 -0.24 -0.798 -0.54491756097561 -0.683183680185513 -1.1112 -0.8976 3188664 BCB03_000399 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)Nc3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D21 compound treatment -0.379 -0.0339 -0.03 -0.357 6.1E-4 0.0 -0.164 0.08908243902439 0.111686010675858 0.0453 0.3885 3071454 BCB03_000400 CCC1=C2CN(Cc3ccccc3Br)[C@@H]([C@@H](O)Cc4ccccc4)C2C=CCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D22 compound treatment -0.761 -0.416 -0.41 -1.1 -0.742 -0.69 -1.107 -0.85391756097561 -1.07058862415423 -1.2537 -0.9372 3188665 BCB03_000401 CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D23 compound treatment -1.66 -1.31 -1.31 -0.689 -0.331 -0.31 -0.439 -0.18591756097561 -0.233091852079469 -1.0665 -0.7825 3071455 BCB03_000402 CCC1=C2CN(Cc3ccccc3)[C@H](C2C=CCC1)C(=O)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 D24 compound treatment -2.041 -1.7 -1.69 -1.123 -0.765 -0.71 -0.875 -0.62191756097561 -0.779721481757005 -1.8328 -0.9218 3070994 BCB03_000403 CC(C)Oc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E01 mock treatment -1.046 -0.701 -0.7 -2.988 -2.63 -2.44 -1.646 -1.39291756097561 -1.74635323515467 -2.8168 -0.9155 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E02 mock treatment -1.472 -1.13 -1.12 -1.875 -1.52 -1.41 -0.994 -0.74091756097561 -0.928916266003855 -1.9943 -0.9859 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E03 compound treatment -0.565 -0.22 -0.22 -1.133 -0.775 -0.72 -0.874 -0.62091756097561 -0.778467744074258 -0.9902 -0.9157 3189040 BCB03_000404 COc1c(C)cc(cc1C)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E04 compound treatment 0.241 0.586 0.58 0.415 0.773 0.72 0.118 0.37108243902439 0.465240037210411 1.018 0.9852 3189560 BCB03_000405 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H]5CCCN5C2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E05 compound treatment 0.384 0.729 0.72 0.085 0.443 0.41 0.555 0.80808243902439 1.01312340457069 1.24 0.9456 3189041 BCB03_000406 COc1ccc(cn1)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E06 compound treatment -0.82 -0.475 -0.47 -0.209 0.149 0.14 -0.673 -0.41991756097561 -0.526466469842183 -0.4971 -0.69 3189559 BCB03_000407 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H]5CCCN5C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E07 compound treatment -1.972 -1.63 -1.62 -1.258 -0.9 -0.83 -1.243 -0.98991756097561 -1.24109694900777 -2.1317 -0.9678 3189042 BCB03_000408 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E08 compound treatment 0.073 0.418 0.42 0.488 0.846 0.78 0.172 0.42508243902439 0.53294187207873 0.9997 0.9665 3189043 BCB03_000409 N[C@@H](Cc1ccccc1)Cn2cc(nn2)C3(O)CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E09 mock treatment -1.45 -1.1 -1.1 -2.202 -1.84 -1.71 -0.798 -0.54491756097561 -0.683183680185513 -2.0147 -0.9404 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E10 mock treatment -0.797 -0.452 -0.45 -0.749 -0.391 -0.36 -0.452 -0.19891756097561 -0.249390441955175 -0.6126 -0.9743 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E11 compound treatment -1.61 -1.26 -1.26 -2.579 -2.22 -2.06 -0.816 -0.56291756097561 -0.705750958474953 -2.3211 -0.924 3070137 BCB03_000410 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E12 compound treatment -2.316 -1.97 -1.96 -3.305 -2.95 -2.73 -1.807 -1.55391756097561 -1.94820500207688 -3.8317 -0.9866 3070143 BCB03_000411 N[C@@H](Cc1ccccc1)Cn2cc(nn2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E13 compound treatment -0.206 0.139 0.14 -1.455 -1.1 -1.02 -0.774 -0.52091756097561 -0.653093975799594 -0.8839 -0.727 3189044 BCB03_000412 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E14 compound treatment -1.593 -1.25 -1.24 -1.769 -1.41 -1.31 -1.197 -0.94391756097561 -1.18342501560142 -2.1541 -0.9992 3189695 BCB03_000413 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E15 compound treatment 0.119 0.464 0.46 0.779 1.14 1.05 0.132 0.38508243902439 0.482792364768864 1.1527 0.9248 3189045 BCB03_000414 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)C4CC4)c5ccccc5)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E16 compound treatment 0.079 0.424 0.42 -0.081 0.277 0.26 0.123 0.37608243902439 0.471508725624144 0.6635 0.9723 3071393 BCB03_000415 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cnnn3C[C@H](Cc4ccccc4)NC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E17 mock treatment -0.9 -0.555 -0.55 -0.662 -0.304 -0.28 -1.188 -0.93491756097561 -1.1721413764567 -1.158 -0.8734 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E18 mock treatment -0.397 -0.0519 -0.05 -0.022 0.336 0.31 -0.309 -0.05591756097561 -0.0701059533224054 0.1091 0.3382 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E19 compound treatment -2.732 -2.39 -2.37 -1.677 -1.32 -1.22 -1.604 -1.35091756097561 -1.69369625247931 -3.0533 -0.9659 3189046 BCB03_000416 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E20 compound treatment -1.381 -1.04 -1.03 -0.897 -0.539 -0.5 -0.733 -0.47991756097561 -0.601690730806982 -1.2303 -0.9515 3071396 BCB03_000417 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](C)NC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E21 compound treatment -1.118 -0.773 -0.77 -2.422 -2.06 -1.91 -0.761 -0.50791756097561 -0.636795385923888 -1.9149 -0.888 3189047 BCB03_000418 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E22 compound treatment 0.006 0.351 0.35 0.332 0.69 0.64 -0.083 0.17008243902439 0.213238762978336 0.6933 0.9143 3187595 BCB03_000419 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](NC2=O)C(C)C)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E23 compound treatment 0.079 0.424 0.42 0.312 0.67 0.62 0.124 0.37708243902439 0.472762463306891 0.8743 0.9864 3189169 BCB03_000420 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 E24 compound treatment 0.366 0.711 0.71 -0.053 0.305 0.28 0.178 0.43108243902439 0.540464298175209 0.883 0.9459 3187594 BCB03_000421 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F01 mock treatment -0.162 0.183 0.18 -0.201 0.157 0.15 0.02 0.27308243902439 0.34237374430124 0.3865 0.9336 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F02 mock treatment -1.027 -0.682 -0.68 -1.644 -1.29 -1.19 -0.796 -0.54291756097561 -0.68067620482002 -1.4721 -0.962 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F03 compound treatment -0.938 -0.593 -0.59 -1.234 -0.876 -0.81 -0.639 -0.38591756097561 -0.483839388628797 -1.0882 -0.9772 3071456 BCB03_000422 C/C=C\[C@@H](NCc1ccccc1Br)[C@@H](O)Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F04 compound treatment -0.663 -0.318 -0.32 -1.629 -1.27 -1.18 -2.112 -1.85891756097561 -2.3305949953146 -2.2077 -0.8394 3070995 BCB03_000423 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4OCOc4c3)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F05 compound treatment -0.448 -0.103 -0.1 -0.638 -0.28 -0.26 -0.328 -0.07491756097561 -0.0939269692945916 -0.2632 -0.8939 3071457 BCB03_000424 CC(=CCN[C@H](CO)c1ccccc1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F06 compound treatment -0.447 -0.102 -0.1 -0.61 -0.252 -0.23 -0.462 -0.20891756097561 -0.261927818782642 -0.3447 -0.9433 2133134 BCB03_000425 CCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F07 compound treatment -0.518 -0.173 -0.17 -0.301 0.0566 0.05 -0.126 0.12708243902439 0.15932804262023 0.023 0.0957 3071458 BCB03_000426 CC(=CCN(CC#C)[C@H](CO)c1ccccc1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F08 compound treatment -1.323 -0.978 -0.97 -1.287 -0.929 -0.86 -0.841 -0.58791756097561 -0.737094400543619 -1.4837 -0.9938 2133147 BCB03_000427 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCCO4)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F09 mock treatment -0.569 -0.224 -0.22 -0.925 -0.567 -0.53 -0.561 -0.30791756097561 -0.386047849374559 -0.6547 -0.9504 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F10 mock treatment -1.806 -1.46 -1.45 -2.316 -1.96 -1.81 -1.137 -0.88391756097561 -1.10820075463663 -2.5253 -0.9811 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F11 compound treatment -0.373 -0.0279 -0.03 -0.351 0.00661 0.01 -0.129 0.12408243902439 0.15556682957199 0.0773 0.4889 3187737 BCB03_000428 CC(=CCN(CC#Cc1ccccc1)[C@H](CO)c2ccccc2)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F12 compound treatment -0.959 -0.614 -0.61 -0.674 -0.316 -0.29 -0.467 -0.21391756097561 -0.268196507196375 -0.6764 -0.9288 3188671 BCB03_000429 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCCc3c[nH]c4ccccc34)[C@@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F13 compound treatment -2.044 -1.7 -1.69 -2.302 -1.94 -1.8 -1.901 -1.64791756097561 -2.06605634425506 -3.2075 -0.9964 3071460 BCB03_000430 O=C1OC[C@@H](c2ccccc2)n3cc(/C=C/c4ccccc4)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F14 compound treatment -0.617 -0.272 -0.27 -1.385 -1.03 -0.95 -0.991 -0.73791756097561 -0.925155052955615 -1.2395 -0.9152 2129060 BCB03_000431 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCC3CCCCC3)[C@@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F15 compound treatment -0.371 -0.0259 -0.03 -0.269 0.0886 0.08 -0.175 0.07808243902439 0.0978948961656447 0.089 0.683 3071461 BCB03_000432 CC(=C)C/1CN([C@H](CO)c2ccccc2)C(=O)\C1=C/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F16 compound treatment -1.276 -0.931 -0.93 -2.136 -1.78 -1.65 -2.203 -1.94991756097561 -2.44468512444455 -2.8965 -0.9375 2129057 BCB03_000433 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC[C@@H]3CCCO3)[C@@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F17 mock treatment -0.51 -0.165 -0.16 -1.435 -1.08 -1.0 -1.027 -0.77391756097561 -0.970289609534494 -1.2308 -0.8784 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F18 mock treatment -0.297 0.0481 0.05 -0.625 -0.267 -0.25 -0.802 -0.54891756097561 -0.6881986309165 -0.5127 -0.6995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F19 compound treatment -0.964 -0.619 -0.62 -0.838 -0.48 -0.44 -0.65 -0.39691756097561 -0.49763050313901 -0.8994 -0.9907 3071462 BCB03_000434 OCC(/C=C/c1ccccc1)N(CC#C)C(C(=O)O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F20 compound treatment -1.104 -0.759 -0.75 -1.401 -1.04 -0.97 -0.787 -0.53391756097561 -0.6693925656753 -1.3799 -0.988 2129061 BCB03_000435 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC3CCCCCC3)[C@@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F21 compound treatment -2.346 -2.0 -1.99 -3.122 -2.76 -2.56 -1.76 -1.50691756097561 -1.88927933098778 -3.7171 -0.9907 3071463 BCB03_000436 C/C=C/CN([C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)C#Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F22 compound treatment -1.79 -1.44 -1.44 -2.238 -1.88 -1.74 -1.032 -0.77891756097561 -0.976558297948228 -2.3984 -0.9752 2129067 BCB03_000437 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccccc3F)[C@@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F23 compound treatment -0.734 -0.389 -0.39 -0.385 -0.0274 -0.03 -0.247 0.00608243902438999 0.00762578300788645 -0.2335 -0.6024 3071464 BCB03_000438 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 F24 compound treatment -1.788 -1.44 -1.43 -1.812 -1.45 -1.35 -1.096 -0.84291756097561 -1.05679750964401 -2.2159 -0.9921 2129068 BCB03_000439 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccc(F)cc3)[C@@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G01 compound treatment -0.66 -0.315 -0.31 -0.99 -0.632 -0.59 0.063 0.31608243902439 0.396284464659346 -0.29 -0.3751 3189170 BCB03_000440 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G02 compound treatment 1.874 2.22 1.56 -0.158 0.2 0.18 0.743 0.99608243902439 1.24882608892706 1.7287 0.8612 3187594 BCB03_000441 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G03 mock treatment -0.333 0.0121 0.01 0.104 0.462 0.43 0.374 0.62708243902439 0.786196883993551 0.7076 0.7907 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G04 mock treatment 0.062 0.407 0.4 0.207 0.565 0.52 -0.198 0.05508243902439 0.0690589294624719 0.5754 0.8656 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G05 compound treatment -0.158 0.187 0.19 -0.445 -0.0874 -0.08 -0.716 -0.46291756097561 -0.580377190200289 -0.2744 -0.4464 3189171 BCB03_000442 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G06 compound treatment -0.239 0.106 0.11 0.131 0.489 0.45 -0.16 0.09308243902439 0.116700961406844 0.3895 0.8131 3187597 BCB03_000443 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](NC2=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G07 compound treatment -0.384 -0.0389 -0.04 -0.848 -0.49 -0.45 -0.918 -0.66491756097561 -0.833632202115111 -0.7658 -0.8061 3071182 BCB03_000444 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G08 compound treatment -0.82 -0.475 -0.47 -0.506 -0.148 -0.14 -0.735 -0.48191756097561 -0.604198206172475 -0.7008 -0.8995 3189696 BCB03_000445 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G09 compound treatment 0.62 0.965 0.96 -0.247 0.111 0.1 0.028 0.28108243902439 0.352403645763213 0.8165 0.7949 3189286 BCB03_000446 CC(C)[Si]1(O[C@H](c2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G10 compound treatment -0.015 0.33 0.33 -0.128 0.23 0.21 -0.223 0.03008243902439 0.0377154873938059 0.334 0.8502 3187593 BCB03_000447 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G11 compound treatment 0.179 0.524 0.52 -0.143 0.215 0.2 -0.138 0.11508243902439 0.14428319042727 0.4988 0.8661 3189287 BCB03_000448 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G12 compound treatment 0.336 0.681 0.68 0.481 0.839 0.78 0.105 0.35808243902439 0.448941447334704 1.0984 0.9774 3414059 BCB03_000449 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(Cc5ccccc5)C2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G13 compound treatment -0.521 -0.176 -0.17 -0.579 -0.221 -0.2 -0.247 0.00608243902438999 0.00762578300788645 -0.2149 -0.7973 3189288 BCB03_000450 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G14 compound treatment -0.718 -0.373 -0.37 -0.811 -0.453 -0.42 -0.468 -0.21491756097561 -0.269450244879122 -0.612 -0.9847 3414060 BCB03_000451 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(nn4)C5(CCCCC5)NC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G15 compound treatment -0.709 -0.364 -0.36 -0.418 -0.0604 -0.06 -0.084 0.16908243902439 0.211985025295589 -0.1188 -0.2808 3189289 BCB03_000452 COc1cc(Cc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G16 compound treatment 0.669 1.01 1.01 0.549 0.907 0.84 0.089 0.34208243902439 0.428881644410758 1.3143 0.9523 3189561 BCB03_000453 CN1Cc2cn(C[C@H](Cc3ccccc3)NC(=O)c4cc(c(CC[C@@H](CO)NC1=O)o4)S(=O)(=O)c5ccc(C)cc5)nn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G17 compound treatment -0.12 0.225 0.22 -0.639 -0.281 -0.26 -0.4 -0.14691756097561 -0.18419608245235 -0.1276 -0.3274 3189171 BCB03_000454 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G18 compound treatment -0.513 -0.168 -0.17 -0.618 -0.26 -0.24 -0.684 -0.43091756097561 -0.540257584352396 -0.5475 -0.8907 3189290 BCB03_000455 COc1ccc(cc1)[C@H]2OC[C@@H]3CC(CC=C)(CC=C)C(=O)N23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G19 mock treatment -0.393 -0.0479 -0.05 -0.915 -0.557 -0.52 -0.522 -0.26891756097561 -0.33715207974744 -0.5201 -0.8412 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G20 mock treatment -0.55 -0.205 -0.2 -0.754 -0.396 -0.37 -0.61 -0.35691756097561 -0.447480995829145 -0.5879 -0.9582 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G21 compound treatment -1.387 -1.04 -1.04 -0.75 -0.392 -0.36 -0.441 -0.18791756097561 -0.235599327444962 -0.9438 -0.8407 3071182 BCB03_000456 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G22 compound treatment -0.593 -0.248 -0.25 -0.543 -0.185 -0.17 -0.376 -0.12291756097561 -0.15410637806643 -0.3304 -0.9787 3071255 BCB03_000457 NC(=N)NCC#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G23 compound treatment -0.012 0.333 0.33 -0.159 0.199 0.18 -0.026 0.22708243902439 0.284701810894894 0.4617 0.9744 3188910 BCB03_000458 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)c5ccc(o5)c6ccc(Cl)c(Cl)c6)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 G24 compound treatment -1.58 -1.23 -1.23 -1.3 -0.942 -0.87 -1.078 -0.82491756097561 -1.03423023135457 -1.8097 -0.9905 3189419 BCB03_000459 OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H01 compound treatment 0.803 1.15 1.14 0.07 0.428 0.4 1.012 1.26508243902439 1.57700017560558 1.798 0.9051 3071464 BCB03_000460 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H02 compound treatment 0.075 0.42 0.42 -0.166 0.192 0.18 -0.329 -0.07591756097561 -0.0951807069773382 0.2886 0.6225 3071064 BCB03_000461 CCCC(=O)N(CCc1c[nH]c2ccccc12)[C@@H]3CC(=C[C@H](Oc4c(I)cc(CO)cc4OC)[C@H]3O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H03 mock treatment -0.468 -0.123 -0.12 0.039 0.397 0.37 0.05 0.30308243902439 0.379985874783639 0.3608 0.6653 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H04 mock treatment -1.089 -0.744 -0.74 -0.788 -0.43 -0.4 -0.333 -0.07991756097561 -0.100195657708325 -0.7149 -0.845 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H05 compound treatment -0.225 0.12 0.12 -0.155 0.203 0.19 -0.163 0.09008243902439 0.112939748358604 0.2424 0.9721 3071517 BCB03_000462 CC(=C)C1C(=C)CN([C@H](CO)c2ccccc2)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H06 compound treatment -1.198 -0.853 -0.85 -0.957 -0.599 -0.56 -1.051 -0.79791756097561 -1.00037931392041 -1.3876 -0.9744 2133032 BCB03_000463 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4ccc(cc4)C(F)(F)F)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H07 compound treatment -0.691 -0.346 -0.34 -0.813 -0.455 -0.42 -0.715 -0.46191756097561 -0.579123452517542 -0.7764 -0.977 3187880 BCB03_000464 CC(C)(C)OC(=O)N(CC#C)[C@H](CO)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H08 compound treatment -1.94 -1.59 -1.59 -0.827 -0.469 -0.43 -0.834 -0.58091756097561 -0.728318236764393 -1.5869 -0.8825 2133035 BCB03_000465 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H09 compound treatment -1.066 -0.721 -0.72 -0.635 -0.277 -0.26 -0.728 -0.47491756097561 -0.595422042393248 -0.9059 -0.9372 3071519 BCB03_000466 CC(=CCN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H10 compound treatment -2.11 -1.76 -1.75 -1.273 -0.915 -0.85 -1.374 -1.12091756097561 -1.40533658544758 -2.3138 -0.9631 2133267 BCB03_000467 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(Cc3ccc(F)cc3)C(=O)C4CCCO4)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H11 compound treatment -1.97 -1.62 -1.62 -0.778 -0.42 -0.39 -0.673 -0.41991756097561 -0.526466469842183 -1.4614 -0.8384 3071520 BCB03_000468 OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H12 compound treatment -1.062 -0.717 -0.71 -0.661 -0.303 -0.28 -0.367 -0.11391756097561 -0.142822738921711 -0.6562 -0.842 2133153 BCB03_000469 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCOC4)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H13 compound treatment -2.241 -1.9 -1.88 -0.66 -0.302 -0.28 -0.836 -0.58291756097561 -0.730825712129886 -1.6718 -0.8192 3071521 BCB03_000470 CC(C)(C)[Si](C)(C)OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H14 compound treatment -0.02 0.325 0.32 -0.138 0.22 0.2 -0.12 0.13308243902439 0.16685046871671 0.4003 0.9607 2132929 BCB03_000471 CC/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H15 compound treatment -2.792 -2.45 -2.43 -1.457 -1.1 -1.02 -2.85 -2.59691756097561 -3.25585340518162 -3.872 -0.9241 3071522 BCB03_000472 O=C1OC[C@H](N2CC(=CC21)/C=C/c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H16 compound treatment -1.997 -1.65 -1.64 -1.062 -0.704 -0.65 -1.37 -1.11691756097561 -1.40032163471659 -2.1332 -0.9461 2133065 BCB03_000473 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H17 compound treatment -1.292 -0.947 -0.94 -0.559 -0.201 -0.19 -0.391 -0.13791756097561 -0.17291244330763 -0.751 -0.7702 3071523 BCB03_000474 OCC(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H18 compound treatment 1.512 1.86 1.48 1.474 1.83 1.38 1.088 1.34108243902439 1.61333476514583 2.5875 0.998 2133224 BCB03_000475 CCCCC(=O)N(Cc1ccccc1F)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H19 mock treatment -0.944 -0.599 -0.6 -0.648 -0.29 -0.27 -0.481 -0.22791756097561 -0.285748834754828 -0.664 -0.9311 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H20 mock treatment -1.639 -1.29 -1.29 -0.907 -0.549 -0.51 -0.792 -0.53891756097561 -0.675661254089034 -1.4265 -0.9266 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H21 compound treatment -1.244 -0.899 -0.89 -0.734 -0.376 -0.35 -0.881 -0.62791756097561 -0.787243907853485 -1.1717 -0.9442 3071524 BCB03_000476 OCC1C=C(CN1Cc2ccccc2Br)/C=C/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H22 compound treatment 1.141 1.49 1.38 -0.129 0.229 0.21 -0.016 0.23708243902439 0.297239187722361 1.0929 0.7636 2133510 BCB03_000477 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCc3cccc(F)c3)C(=O)CCC4CCCC4)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H23 compound treatment -1.332 -0.987 -0.98 -0.493 -0.135 -0.13 -0.283 -0.02991756097561 -0.0375087735709926 -0.6605 -0.6673 3414064 BCB03_000478 O=S1(=O)N2CCC[C@@H]2[C@@H](Oc3ccccc31)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 H24 compound treatment -2.673 -2.33 -2.31 -1.957 -1.6 -1.48 -1.817 -1.56391756097561 -1.96074237890434 -3.3233 -0.9845 2128988 BCB03_000479 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H]3O[C@@H]32)C(=O)NCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I01 compound treatment 0.633 0.978 0.97 0.23 0.588 0.54 0.452 0.70508243902439 0.883988423247789 1.3859 0.9744 3070742 BCB03_000480 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I02 compound treatment -1.461 -1.12 -1.11 -1.135 -0.777 -0.72 -0.995 -0.74191756097561 -0.930170003686602 -1.5931 -0.9853 3189420 BCB03_000481 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@](Cc4ccccc4)(C(=O)OCC=C)C(=O)N23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I03 compound treatment -0.773 -0.428 -0.43 -1.331 -0.973 -0.9 -0.963 -0.70991756097561 -0.890050397838709 -1.2799 -0.9578 3070750 BCB03_000482 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I04 compound treatment 0.036 0.381 0.38 1.446 1.8 1.38 0.376 0.62908243902439 0.788704359359045 1.4694 0.9004 1035256 BCB03_000483 C#CCNCc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I05 mock treatment -0.18 0.165 0.16 -0.796 -0.438 -0.41 -1.172 -0.91891756097561 -1.15208157353276 -0.8048 -0.653 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I06 mock treatment -0.422 -0.0769 -0.08 0.216 0.574 0.53 -0.293 -0.03991756097561 -0.0500461503984591 0.2336 0.4334 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I07 compound treatment 0.207 0.552 0.55 0.199 0.557 0.52 0.271 0.52408243902439 0.657061902670647 0.9938 0.9945 3188915 BCB03_000484 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I08 compound treatment -1.063 -0.718 -0.71 -0.86 -0.502 -0.47 -0.706 -0.45291756097561 -0.567839813372822 -1.0085 -0.985 3071258 BCB03_000485 CC(C)[C@H](N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I09 compound treatment -0.073 0.272 0.27 0.035 0.393 0.36 0.01 0.26308243902439 0.329836367473774 0.5565 0.9929 3070808 BCB03_000486 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)c6ccccc6)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I10 compound treatment -0.989 -0.644 -0.64 -1.437 -1.08 -1.0 -0.565 -0.31191756097561 -0.391062800105546 -1.1724 -0.9382 3189550 BCB03_000487 COc1cccc(C[C@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I11 compound treatment 0.276 0.621 0.62 0.199 0.557 0.52 0.122 0.37508243902439 0.470254987941397 0.9255 0.9934 3070078 BCB03_000488 CC[C@@H]1O[Si](C(C)C)(C(C)C)c2c1cc(nc2c3ccc(Oc4ccccc4)cc3)c5cc(C)c(OC)c(C)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I12 compound treatment -2.161 -1.82 -1.81 -3.66 -3.3 -3.06 -0.915 -0.66191756097561 -0.829870989066871 -3.2869 -0.9013 3189551 BCB03_000489 COc1cccc(C[C@@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I13 compound treatment -0.901 -0.556 -0.55 -3.051 -2.69 -2.49 -1.501 -1.24791756097561 -1.5645612711564 -2.6623 -0.8888 3070690 BCB03_000490 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I14 compound treatment -0.519 -0.174 -0.17 -0.331 0.0266 0.02 -0.288 -0.03491756097561 -0.0437774619847259 -0.1109 -0.6158 3071267 BCB03_000491 CN(C)S(=O)(=O)NCC#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I15 compound treatment -0.777 -0.432 -0.43 -0.815 -0.457 -0.42 -1.177 -0.92391756097561 -1.15835026194649 -1.1612 -0.8892 3071259 BCB03_000492 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#Cc4ccccc4)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I16 compound treatment 0.09 0.435 0.43 -0.556 -0.198 -0.18 0.156 0.40908243902439 0.512882069154783 0.4398 0.6322 3189556 BCB03_000493 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I17 compound treatment 0.294 0.639 0.64 -0.23 0.128 0.12 -0.52 -0.26691756097561 -0.334644604381947 0.2418 0.3323 3071266 BCB03_000494 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCc4ccccc4)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I18 compound treatment -0.461 -0.116 -0.12 -0.188 0.17 0.16 -0.584 -0.33091756097561 -0.414883816077732 -0.2154 -0.47 3188911 BCB03_000495 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I19 compound treatment -1.186 -0.841 -0.84 -0.578 -0.22 -0.2 -0.429 -0.17591756097561 -0.220554475252002 -0.7278 -0.8193 3189415 BCB03_000496 CCCCCCC#C[Si](O[C@@H](C#C)c1ccccc1)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I20 compound treatment -1.006 -0.661 -0.66 -0.7 -0.342 -0.32 -0.404 -0.15091756097561 -0.189211033183336 -0.6716 -0.8911 3188912 BCB03_000497 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](C)Cn3cc(CN(C)C2=O)nn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I21 mock treatment -0.288 0.0571 0.06 -2.57 -2.21 -2.05 -0.829 -0.57591756097561 -0.722049548350659 -1.5669 -0.7211 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I22 mock treatment -0.802 -0.457 -0.45 -0.959 -0.601 -0.56 -0.244 0.00908243902438999 0.0113869960561264 -0.5772 -0.8031 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I23 compound treatment -2.068 -1.72 -1.71 -2.493 -2.14 -1.98 -1.511 -1.25791756097561 -1.57709864798387 -3.041 -0.9956 3189416 BCB03_000498 CCCCCCC#C[Si](OCC#CC)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 I24 compound treatment -1.669 -1.32 -1.32 -2.785 -2.43 -2.25 -0.551 -0.29791756097561 -0.373510472547093 -2.2732 -0.8639 3188913 BCB03_000499 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J01 compound treatment -0.122 0.223 0.22 -0.106 0.252 0.23 -0.178 0.07508243902439 0.0941336831174048 0.3169 0.9456 3071594 BCB03_000500 O=S1(=O)N2CCC[C@H]2[C@H](Oc3ccccc31)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J02 compound treatment -1.034 -0.689 -0.68 -1.27 -0.912 -0.84 -0.965 -0.71191756097561 -0.892557873204203 -1.3985 -0.994 3187871 BCB03_000501 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)N(Cc3ccco3)C(=O)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J03 compound treatment -0.669 -0.324 -0.32 -1.404 -1.05 -0.97 -0.559 -0.30591756097561 -0.383540374009066 -0.9668 -0.8864 3071530 BCB03_000502 CCOC(=O)[C@H]1C[C@H]2O[C@]32C[C@H]1C(=O)N4CCCC4[C@@H]3O[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J04 compound treatment -0.621 -0.276 -0.27 -1.244 -0.886 -0.82 -1.751 -1.49791756097561 -1.87799569184306 -1.7165 -0.8301 2129008 BCB03_000503 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)NCc3ccc(F)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J05 mock treatment -0.881 -0.536 -0.53 -1.864 -1.51 -1.39 -1.209 -0.95591756097561 -1.19846986779438 -1.8049 -0.9427 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J06 mock treatment -0.564 -0.219 -0.22 -0.395 -0.0374 -0.03 -0.909 -0.65591756097561 -0.822348562970391 -0.6204 -0.7288 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J07 compound treatment -0.332 0.0131 0.01 0.188 0.546 0.51 -0.2 0.05308243902439 0.0665514540969786 0.3376 0.6623 3071528 BCB03_000504 CCOC(=O)[C@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@@H]2O[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J08 compound treatment -0.974 -0.629 -0.63 -0.99 -0.632 -0.59 -0.487 -0.23391756097561 -0.293271260851308 -0.8684 -0.9591 3187877 BCB03_000505 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J09 compound treatment -1.062 -0.717 -0.71 -1.009 -0.651 -0.6 -0.74 -0.48691756097561 -0.610466894586208 -1.1122 -0.997 3071529 BCB03_000506 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J10 compound treatment -0.752 -0.407 -0.4 -0.609 -0.251 -0.23 -0.332 -0.07891756097561 -0.0989419200255782 -0.4251 -0.891 3188005 BCB03_000507 CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J11 compound treatment -2.132 -1.79 -1.78 -1.64 -1.28 -1.19 -0.777 -0.52391756097561 -0.656855188847834 -2.0905 -0.9351 3071527 BCB03_000508 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J12 compound treatment -0.486 -0.141 -0.14 -0.495 -0.137 -0.13 -0.267 -0.01391756097561 -0.0174489706470464 -0.1644 -0.8651 3188007 BCB03_000509 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J13 compound treatment -0.004 0.341 0.34 0.405 0.763 0.71 0.161 0.41408243902439 0.519150757568516 0.9032 0.9611 3071654 BCB03_000510 [O-][N+](=O)c1ccccc1S(=O)(=O)N2CCC[C@@H]2[C@H]3OCC=C3C(=C)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J14 compound treatment -0.524 -0.179 -0.18 -1.465 -1.11 -1.03 -0.73 -0.47691756097561 -0.597929517758742 -1.0399 -0.8664 3188008 BCB03_000511 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J15 compound treatment -0.21 0.135 0.13 -0.441 -0.0834 -0.08 -0.217 0.03608243902439 0.0452379134902857 0.0591 0.366 3071597 BCB03_000512 Cc1ccc(cc1)S(=O)(=O)NC/C=C\C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J16 compound treatment -0.524 -0.179 -0.18 -0.186 0.172 0.16 -1.058 -0.80491756097561 -1.00915547769964 -0.5936 -0.5724 3188142 BCB03_000513 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J17 compound treatment -0.523 -0.178 -0.18 -0.166 0.192 0.18 -0.294 -0.04091756097561 -0.0512998880812057 -0.0293 -0.1146 3071598 BCB03_000514 Cc1ccc(cc1)S(=O)(=O)NC/C=C/C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J18 compound treatment -0.347 -0.00193 0.0 -0.239 0.119 0.11 -0.464 -0.21091756097561 -0.264435294148135 -0.0904 -0.3156 3188271 BCB03_000515 CC(C)C[C@H]1NC(=O)CNC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J19 compound treatment -0.322 0.0231 0.02 -0.845 -0.487 -0.45 -0.069 0.18408243902439 0.230791090536789 -0.1141 -0.2248 3188138 BCB03_000516 Cc1ccc(cc1)S(=O)(=O)N(CCC=C)CC#C[C@H]2Oc3ccccc3S(=O)(=O)N4CCC[C@@H]24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J20 compound treatment -0.497 -0.152 -0.15 -0.507 -0.149 -0.14 -0.205 0.04808243902439 0.0602827656832454 -0.1323 -0.6195 3188272 BCB03_000517 CC(C)C[C@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J21 mock treatment -1.175 -0.83 -0.83 -1.432 -1.07 -0.99 -0.374 -0.12091756097561 -0.151598902700937 -1.1383 -0.8747 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J22 mock treatment -1.946 -1.6 -1.59 -2.174 -1.82 -1.68 -1.004 -0.75091756097561 -0.941453642831322 -2.4335 -0.9735 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J23 compound treatment -0.86 -0.515 -0.51 -0.429 -0.0714 -0.07 -0.373 -0.11991756097561 -0.15034516501819 -0.4205 -0.7822 3071656 BCB03_000518 CN1C(=C)C2CC3C4C(C5CO[C@H]([C@H]6CCCN6S(=O)(=O)c7ccccc7[N+](=O)[O-])C5=C3CC2C1=O)C(=O)N(C)C4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 J24 compound treatment -1.226 -0.881 -0.88 -1.164 -0.806 -0.75 -0.464 -0.21091756097561 -0.264435294148135 -1.0894 -0.9225 3188275 BCB03_000519 CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K01 compound treatment -0.984 -0.639 -0.64 -0.853 -0.495 -0.46 -0.635 -0.38191756097561 -0.478824437897811 -0.908 -0.9889 3071254 BCB03_000520 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccccc2)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K02 compound treatment -0.537 -0.192 -0.19 -0.784 -0.426 -0.39 -0.686 -0.43291756097561 -0.54276505971789 -0.6515 -0.9337 3220747 BCB03_000521 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCCC2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K03 compound treatment -1.242 -0.897 -0.89 -1.583 -1.23 -1.13 -0.718 -0.46491756097561 -0.582884665565782 -1.5064 -0.9679 3189418 BCB03_000522 CC#CCO[Si](C#Cc1ccccc1)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K04 compound treatment -0.832 -0.487 -0.48 -1.01 -0.652 -0.6 -0.41 -0.15691756097561 -0.196733459279816 -0.7418 -0.9288 3220749 BCB03_000523 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCC(C)C)oc(C(=O)Cc2ccccc2)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K05 compound treatment -0.638 -0.293 -0.29 -1.239 -0.881 -0.82 -0.931 -0.67791756097561 -0.849930791990817 -1.13 -0.931 3071256 BCB03_000524 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccc(Oc3ccccc3)cc2)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K06 compound treatment -0.398 -0.0529 -0.05 -0.994 -0.636 -0.59 -1.205 -0.95191756097561 -1.1934549170634 -1.0596 -0.7955 3220751 BCB03_000525 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2ccc(OC)cc2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K07 mock treatment -0.608 -0.263 -0.26 -0.647 -0.289 -0.27 -0.706 -0.45291756097561 -0.567839813372822 -0.6335 -0.9314 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K08 mock treatment -0.458 -0.113 -0.11 -0.671 -0.313 -0.29 -0.365 -0.11191756097561 -0.140315263556217 -0.3134 -0.9181 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K09 compound treatment -0.916 -0.571 -0.57 0.29 0.648 0.6 -0.47 -0.21691756097561 -0.271957720244615 -0.1385 -0.1593 3071257 BCB03_000526 CC[C@@H](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K10 compound treatment -0.825 -0.48 -0.48 -0.839 -0.481 -0.45 -0.701 -0.44791756097561 -0.561571124959089 -0.857 -0.9951 3220772 BCB03_000527 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCc2c[nH]c3ccccc23)oc(C(=O)Cc4ccccc4)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K11 compound treatment -1.321 -0.976 -0.97 -0.954 -0.596 -0.55 -0.698 -0.44491756097561 -0.557809911910849 -1.201 -0.9624 3189421 BCB03_000528 CC(C)[Si](Oc1ccccc1Br)(C#CCCCC#N)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K12 compound treatment -1.076 -0.731 -0.73 -0.557 -0.199 -0.18 -0.584 -0.33091756097561 -0.414883816077732 -0.7657 -0.8935 3220775 BCB03_000529 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2nc[nH]n2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K13 compound treatment -0.55 -0.205 -0.2 -0.477 -0.119 -0.11 -0.351 -0.09791756097561 -0.122762935997764 -0.2523 -0.962 3189422 BCB03_000530 CC[C@@H](O[Si](C#CCCCC#N)(C(C)C)C(C)C)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K14 compound treatment -0.418 -0.0729 -0.07 -0.775 -0.417 -0.39 -0.389 -0.13591756097561 -0.170404967942137 -0.3634 -0.8479 3220649 BCB03_000531 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K15 mock treatment -0.578 -0.233 -0.23 -0.651 -0.293 -0.27 -0.217 0.03608243902439 0.0452379134902857 -0.2644 -0.7349 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K16 mock treatment -1.22 -0.875 -0.87 -1.236 -0.878 -0.81 -0.949 -0.69591756097561 -0.872498070280256 -1.4755 -0.9995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K17 compound treatment 0.022 0.367 0.36 -0.266 0.0916 0.08 -0.126 0.12708243902439 0.15932804262023 0.3517 0.8637 3189552 BCB03_000532 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K18 compound treatment 0.074 0.419 0.42 0.066 0.424 0.39 0.022 0.27508243902439 0.344881219666733 0.6661 0.997 3220651 BCB03_000533 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4cncn4C)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K19 compound treatment -1.162 -0.817 -0.81 -0.796 -0.438 -0.41 -1.606 -1.35291756097561 -1.6962037278448 -1.6826 -0.8745 3189553 BCB03_000534 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K20 compound treatment -0.428 -0.0829 -0.08 -0.275 0.0826 0.08 0.087 0.34008243902439 0.426374169045265 0.2427 0.5505 3220653 BCB03_000535 CCCCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K21 compound treatment -0.092 0.253 0.25 -0.331 0.0266 0.02 -0.113 0.14008243902439 0.175626632495937 0.2609 0.8475 3189554 BCB03_000536 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(Cc2cccc(Cl)c2)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K22 compound treatment -0.598 -0.253 -0.25 -0.251 0.107 0.1 -0.421 -0.16791756097561 -0.210524573790029 -0.2097 -0.6124 3220655 BCB03_000537 CCOC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K23 mock treatment -0.962 -0.617 -0.61 -0.569 -0.211 -0.2 -0.334 -0.08091756097561 -0.101449395391071 -0.5257 -0.8066 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 K24 mock treatment -1.377 -1.03 -1.03 -0.69 -0.332 -0.31 -0.834 -0.58091756097561 -0.728318236764393 -1.1905 -0.9191 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L01 compound treatment -0.398 -0.0529 -0.05 -0.448 -0.0904 -0.08 -0.547 -0.29391756097561 -0.368495521816106 -0.2915 -0.7639 3071655 BCB03_000538 CN1C(=O)C2CC=C(CC2C1=O)C3=CCO[C@@H]3[C@H]4CCCN4S(=O)(=O)c5ccccc5[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L02 compound treatment -0.42 -0.0749 -0.07 -0.842 -0.484 -0.45 -0.884 -0.63091756097561 -0.791005120901725 -0.7587 -0.8315 3188392 BCB03_000539 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L03 compound treatment -1.287 -0.942 -0.94 -1.203 -0.845 -0.78 -1.656 -1.40291756097561 -1.75889061198213 -2.0081 -0.938 3188141 BCB03_000540 C=CC(=C)[C@H]1Oc2ccccc2S(=O)(=O)N3CCC[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L04 compound treatment 0.246 0.591 0.59 0.07 0.428 0.4 -0.015 0.23808243902439 0.298492925405107 0.7402 0.9627 3188274 BCB03_000541 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L05 compound treatment -1.352 -1.01 -1.0 -1.198 -0.84 -0.78 -0.315 -0.06191756097561 -0.0776283794188852 -1.072 -0.8439 3071592 BCB03_000542 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L06 compound treatment -0.382 -0.0369 -0.04 -0.394 -0.0364 -0.03 -0.346 -0.09291756097561 -0.116494247584031 -0.1079 -0.8517 3070931 BCB03_000543 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(C)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L07 mock treatment -0.639 -0.294 -0.29 -0.586 -0.228 -0.21 -0.201 0.05208243902439 0.065297716414232 -0.2531 -0.6905 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L08 mock treatment -1.285 -0.94 -0.93 -0.722 -0.364 -0.34 -0.766 -0.51291756097561 -0.643064074337621 -1.1056 -0.9342 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L09 compound treatment -2.479 -2.13 -2.12 -1.386 -1.03 -0.95 -1.143 -0.88991756097561 -1.1157231807331 -2.4188 -0.9378 3071592 BCB03_000544 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L10 compound treatment 0.234 0.579 0.58 0.401 0.759 0.7 0.303 0.55608243902439 0.69718150851854 1.1404 0.9961 3070933 BCB03_000545 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(C)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L11 compound treatment -1.66 -1.31 -1.31 -0.81 -0.452 -0.42 -0.643 -0.38991756097561 -0.488854339359784 -1.2788 -0.8776 3071581 BCB03_000546 O=C1C2CC=C(CC2C(=O)c3ccccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L12 compound treatment -0.41 -0.0649 -0.06 -0.876 -0.518 -0.48 -0.507 -0.25391756097561 -0.318346014506241 -0.4982 -0.8596 3188523 BCB03_000547 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(C)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L13 compound treatment 0.788 1.13 1.13 0.68 1.04 0.96 0.008 0.26108243902439 0.32732889210828 1.394 0.9194 3071582 BCB03_000548 O=C1c2ccccc2C(=O)c3cc(ccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L14 compound treatment -0.308 0.0371 0.04 -0.672 -0.314 -0.29 -0.808 -0.55491756097561 -0.69572105701298 -0.5485 -0.7264 3188524 BCB03_000549 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L15 mock treatment -0.819 -0.474 -0.47 -0.469 -0.111 -0.1 -0.642 -0.38891756097561 -0.487600601677037 -0.6131 -0.8939 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L16 mock treatment -1.959 -1.61 -1.6 -1.023 -0.665 -0.62 -0.738 -0.48491756097561 -0.607959419220715 -1.6331 -0.8958 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L17 compound treatment 0.174 0.519 0.52 -0.044 0.314 0.29 0.206 0.45908243902439 0.575568953292115 0.7979 0.9662 3071529 BCB03_000550 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L18 compound treatment -1.0 -0.655 -0.65 -0.913 -0.555 -0.51 -0.485 -0.23191756097561 -0.290763785485814 -0.8407 -0.9562 3188525 BCB03_000551 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L19 compound treatment 0.484 0.829 0.82 0.013 0.371 0.34 -0.193 0.06008243902439 0.0753276178762051 0.7175 0.8008 3071527 BCB03_000552 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L20 compound treatment -0.333 0.0121 0.01 -0.614 -0.256 -0.24 -0.427 -0.17391756097561 -0.218046999886509 -0.256 -0.7937 3188526 BCB03_000553 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@@H](CCc6ccccc6)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L21 compound treatment -0.101 0.244 0.24 -0.34 0.0176 0.02 -0.276 -0.02291756097561 -0.0287326097917662 0.1329 0.5428 3071531 BCB03_000554 CCOC(=O)[C@@H]1[C@@H]2CN(CCC2=C[C@@H]3[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]4CCCN4C(=O)[C@@H]13)S(=O)(=O)c5ccc(C)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L22 compound treatment -1.365 -1.02 -1.01 -0.415 -0.0574 -0.05 -1.16 -0.90691756097561 -1.1370367213398 -1.2726 -0.8348 3188538 BCB03_000555 CCCC[C@H]1OB(O)C[C@H]2C1=C(C)Cn3n2c(=O)n(c4ccccc4)c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L23 mock treatment -1.24 -0.895 -0.89 -0.555 -0.197 -0.18 -0.591 -0.33791756097561 -0.423659979856958 -0.8638 -0.8619 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 L24 mock treatment -2.11 -1.76 -1.75 -1.342 -0.984 -0.91 -0.911 -0.65791756097561 -0.824856038335884 -2.0155 -0.9408 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M01 compound treatment -0.152 0.193 0.19 -0.681 -0.323 -0.3 -0.433 -0.17991756097561 -0.225569425982989 -0.1923 -0.4566 3071269 BCB03_000556 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M02 compound treatment -0.534 -0.189 -0.19 -0.599 -0.241 -0.22 -0.663 -0.40991756097561 -0.513929093014717 -0.5342 -0.9038 3220657 BCB03_000557 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)c3ccccn3)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M03 compound treatment 0.338 0.683 0.68 0.444 0.802 0.74 -0.257 -0.00391756097561002 -0.00491159381957999 0.8178 0.8129 3189557 BCB03_000558 CCCC#C[Si](O[C@H](CC)c1cn(Cc2ccccc2)nn1)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M04 compound treatment -0.313 0.0321 0.03 -0.461 -0.103 -0.1 0.296 0.54908243902439 0.688405344739313 0.3606 0.5183 3220659 BCB03_000559 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCCC3)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M05 compound treatment 0.003 0.348 0.35 -0.242 0.116 0.11 -0.336 -0.08291756097561 -0.103956870756565 0.2016 0.5349 3071329 BCB03_000560 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M06 compound treatment -0.722 -0.377 -0.37 -0.258 0.0996 0.09 -0.753 -0.49991756097561 -0.626765484461915 -0.525 -0.7132 3220661 BCB03_000561 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M07 compound treatment -0.966 -0.621 -0.62 -0.609 -0.251 -0.23 -0.371 -0.11791756097561 -0.147837689652697 -0.5762 -0.8522 3071331 BCB03_000562 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](C)c2ccccc2)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M08 compound treatment 0.15 0.495 0.49 0.025 0.383 0.35 -0.132 0.12108243902439 0.15180561652375 0.5763 0.922 3220665 BCB03_000563 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(Cc3ccccc3)nn2)C(C)C)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M09 mock treatment -2.116 -1.77 -1.76 -1.932 -1.57 -1.46 -0.341 -0.08791756097561 -0.110225559170298 -1.9218 -0.8398 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M10 mock treatment -0.544 -0.199 -0.2 -0.538 -0.18 -0.17 -0.539 -0.28591756097561 -0.358465620354133 -0.4176 -0.9444 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M11 compound treatment -0.195 0.15 0.15 -0.584 -0.226 -0.21 -0.027 0.22608243902439 0.283448073212148 0.1288 0.3363 3071332 BCB03_000564 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M12 compound treatment -0.602 -0.257 -0.26 -0.311 0.0466 0.04 -0.312 -0.05891756097561 -0.0738671663706453 -0.1652 -0.6133 3220667 BCB03_000565 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)C3(O)CCCCC3)C(C)C)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M13 mock treatment -0.752 -0.407 -0.4 -1.624 -1.27 -1.17 -0.707 -0.45391756097561 -0.569093551055569 -1.2391 -0.908 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M14 mock treatment -0.712 -0.367 -0.36 -1.325 -0.967 -0.9 -0.872 -0.61891756097561 -0.775960268708765 -1.1758 -0.9482 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M15 compound treatment -0.812 -0.467 -0.46 -1.903 -1.55 -1.43 -1.488 -1.23491756097561 -1.5482626812807 -1.9881 -0.9209 3189692 BCB03_000566 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M16 compound treatment 0.422 0.767 0.76 0.448 0.806 0.75 0.244 0.49708243902439 0.623210985236488 1.2308 0.9962 3220669 BCB03_000567 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3cncn3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M17 compound treatment -0.265 0.0801 0.08 -0.205 0.153 0.14 -1.558 -1.30491756097561 -1.63602431907296 -0.817 -0.497 3189693 BCB03_000568 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M18 compound treatment -0.742 -0.397 -0.39 -0.057 0.301 0.28 -0.75 -0.49691756097561 -0.623004271413675 -0.4268 -0.5415 3414054 BCB03_000569 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M19 compound treatment -1.631 -1.29 -1.28 -1.011 -0.653 -0.61 -0.658 -0.40491756097561 -0.507660404600984 -1.3805 -0.9187 3189694 BCB03_000570 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M20 compound treatment -0.455 -0.11 -0.11 -0.364 -0.00639 -0.01 -0.396 -0.14291756097561 -0.179181131721363 -0.17 -0.8095 3414055 BCB03_000571 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(Cc4ccccc4)nn3)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M21 compound treatment -0.725 -0.38 -0.38 -0.858 -0.5 -0.46 -0.287 -0.03391756097561 -0.0425237243019792 -0.5101 -0.8512 3071395 BCB03_000572 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M22 compound treatment -0.66 -0.315 -0.31 -0.357 6.1E-4 0.0 -0.296 -0.04291756097561 -0.053807363446699 -0.2115 -0.6658 3414056 BCB03_000573 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M23 compound treatment -0.681 -0.336 -0.33 -0.852 -0.494 -0.46 -0.478 -0.22491756097561 -0.281987621706588 -0.6199 -0.9794 3189697 BCB03_000574 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 M24 compound treatment -0.151 0.194 0.19 -0.368 -0.0104 -0.01 -0.189 0.06408243902439 0.0803425686071917 0.1522 0.7276 3414057 BCB03_000575 CCCCc1cn(C[C@@H]2CCCN2C(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N01 compound treatment -0.291 0.0541 0.05 -1.347 -0.989 -0.92 -0.41 -0.15691756097561 -0.196733459279816 -0.6115 -0.6515 3071585 BCB03_000576 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N02 compound treatment -0.448 -0.103 -0.1 -1.404 -1.05 -0.97 -0.584 -0.33091756097561 -0.414883816077732 -0.858 -0.8102 3215882 BCB03_000577 CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn3n2c(=O)n(c4ccccc4)c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N03 compound treatment -0.469 -0.124 -0.12 -0.891 -0.533 -0.49 -0.426 -0.17291756097561 -0.216793262203763 -0.4814 -0.8702 3188130 BCB03_000578 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N04 compound treatment -0.263 0.0821 0.08 -0.679 -0.321 -0.3 -0.886 -0.63291756097561 -0.793512596267218 -0.5828 -0.6846 3215880 BCB03_000579 CCCC[C@H]1OB(O)C[C@H]2C1=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N05 compound treatment -0.284 0.0611 0.06 -1.083 -0.725 -0.67 -0.85 -0.59691756097561 -0.748378039688339 -0.7848 -0.779 3071587 BCB03_000580 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N06 compound treatment 0.289 0.634 0.63 -0.21 0.148 0.14 0.142 0.39508243902439 0.49532974159633 0.7288 0.8962 3188542 BCB03_000581 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N07 compound treatment -0.489 -0.144 -0.14 -0.65 -0.292 -0.27 -0.718 -0.46491756097561 -0.582884665565782 -0.5755 -0.874 3071588 BCB03_000582 BrC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N08 compound treatment 0.092 0.437 0.43 -0.052 0.306 0.28 -0.058 0.19508243902439 0.244582205047002 0.5555 0.9688 3071661 BCB03_000583 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N09 mock treatment -0.85 -0.505 -0.5 -1.037 -0.679 -0.63 -0.022 0.23108243902439 0.289716761625881 -0.4858 -0.5679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N10 mock treatment -1.371 -1.03 -1.02 -1.331 -0.973 -0.9 -0.664 -0.41091756097561 -0.515182830697463 -1.4067 -0.9666 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N11 compound treatment -1.746 -1.4 -1.39 -0.956 -0.598 -0.55 -0.628 -0.37491756097561 -0.470048274118584 -1.3954 -0.8883 3071589 BCB03_000584 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N12 compound treatment -0.498 -0.153 -0.15 -0.739 -0.381 -0.35 -0.2 0.05308243902439 0.0665514540969786 -0.2532 -0.649 3188543 BCB03_000585 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N13 mock treatment -0.856 -0.511 -0.51 -0.914 -0.556 -0.52 -0.753 -0.49991756097561 -0.626765484461915 -0.9526 -0.9951 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N14 mock treatment -0.505 -0.16 -0.16 -1.0 -0.642 -0.59 -0.429 -0.17591756097561 -0.220554475252002 -0.5626 -0.8602 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N15 compound treatment -0.472 -0.127 -0.13 -1.427 -1.07 -0.99 -0.842 -0.58891756097561 -0.738348138226366 -1.0708 -0.8625 3071590 BCB03_000586 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N16 compound treatment -0.508 -0.163 -0.16 -0.449 -0.0914 -0.08 -0.632 -0.37891756097561 -0.475063224849571 -0.4167 -0.8186 3070948 BCB03_000587 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)C=CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N17 compound treatment -0.263 0.0821 0.08 -1.202 -0.844 -0.78 -1.384 -1.13091756097561 -1.41787396227505 -1.2229 -0.7543 3071591 BCB03_000588 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N18 compound treatment 0.36 0.705 0.7 -0.233 0.125 0.12 -0.043 0.21008243902439 0.263388270288202 0.6234 0.8228 3070949 BCB03_000589 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)C=CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N19 compound treatment -0.77 -0.425 -0.42 -1.561 -1.2 -1.11 -1.416 -1.16291756097561 -1.45799356812294 -1.729 -0.9182 3188261 BCB03_000590 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3cccc(C)c3)C(=O)[C@@]42CO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N20 compound treatment -0.073 0.272 0.27 -0.235 0.123 0.11 -0.079 0.17408243902439 0.218253713709322 0.3477 0.951 3070950 BCB03_000591 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)C=CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N21 compound treatment -2.03 -1.68 -1.68 -1.785 -1.43 -1.32 -1.165 -0.91191756097561 -1.14330540975353 -2.3903 -0.9874 3071600 BCB03_000592 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(OC)C(=O)[C@@]43CO4)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N22 compound treatment -0.458 -0.113 -0.11 -0.67 -0.312 -0.29 -0.133 0.12008243902439 0.150551878841004 -0.1449 -0.4202 3070951 BCB03_000593 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)C=CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N23 compound treatment -1.107 -0.762 -0.76 -0.748 -0.39 -0.36 -0.31 -0.05691756097561 -0.071359691005152 -0.6872 -0.8159 3071601 BCB03_000594 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 N24 compound treatment -0.531 -0.186 -0.18 -0.262 0.0956 0.09 -0.315 -0.06191756097561 -0.0776283794188852 -0.1004 -0.4582 3071664 BCB03_000595 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O01 compound treatment -0.128 0.217 0.22 -0.244 0.114 0.11 -0.345 -0.09191756097561 -0.115240509901284 0.1188 0.4461 3187592 BCB03_000596 CC(C)[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O02 compound treatment -0.038 0.307 0.31 0.457 0.815 0.75 0.336 0.58908243902439 0.738554852049179 1.0381 0.9447 3220705 BCB03_000597 CCc1oc(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCCC3)c(C(=O)OC)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O03 compound treatment -0.055 0.29 0.29 0.019 0.377 0.35 0.212 0.46508243902439 0.583091379388595 0.7045 0.9545 3071397 BCB03_000598 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O04 compound treatment -1.066 -0.721 -0.72 -0.99 -0.632 -0.59 -0.868 -0.61491756097561 -0.770945317977778 -1.197 -0.9937 3220708 BCB03_000599 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O05 compound treatment 0.191 0.536 0.53 -0.282 0.0756 0.07 0.079 0.33208243902439 0.416344267583292 0.5885 0.8655 3071398 BCB03_000600 CC(C)[Si](O[C@H](C)c1cn(Cc2ccccc2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O06 compound treatment -1.304 -0.959 -0.95 -1.166 -0.808 -0.75 -1.36 -1.10691756097561 -1.38778425788913 -1.7838 -0.9681 3220711 BCB03_000601 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O07 compound treatment -0.988 -0.643 -0.64 -1.041 -0.683 -0.63 -1.004 -0.75091756097561 -0.941453642831322 -1.2779 -0.9815 3071399 BCB03_000602 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O08 compound treatment -1.178 -0.833 -0.83 -1.225 -0.867 -0.8 -0.781 -0.52791756097561 -0.661870139578821 -1.3239 -0.9954 3220713 BCB03_000603 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4N)oc(C(=O)C)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O09 compound treatment -0.559 -0.214 -0.21 -0.701 -0.343 -0.32 -0.377 -0.12391756097561 -0.155360115749177 -0.3961 -0.9593 3187596 BCB03_000604 CC(C)[Si](O[C@H](C)c1cn(Cc2cccc(Cl)c2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O10 compound treatment -1.469 -1.12 -1.12 -0.854 -0.496 -0.46 -0.176 0.07708243902439 0.0966411584828981 -0.8547 -0.7051 3220715 BCB03_000605 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O11 mock treatment -1.158 -0.813 -0.81 -0.459 -0.101 -0.09 -0.508 -0.25491756097561 -0.319599752188987 -0.7053 -0.8069 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O12 mock treatment -1.452 -1.11 -1.1 -0.983 -0.625 -0.58 -0.838 -0.58491756097561 -0.733333187495379 -1.3931 -0.965 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O13 compound treatment 0.108 0.453 0.45 0.381 0.739 0.68 -0.474 -0.22091756097561 -0.276972670975601 0.495 0.5726 3071400 BCB03_000606 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](C)c2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O14 compound treatment -0.267 0.0781 0.08 0.259 0.617 0.57 -0.051 0.20208243902439 0.253358368826228 0.5207 0.8273 3220717 BCB03_000607 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O15 compound treatment -0.997 -0.652 -0.65 -1.301 -0.943 -0.87 -0.579 -0.32591756097561 -0.408615127663999 -1.1144 -0.9591 3070694 BCB03_000608 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O16 compound treatment -0.345 6.6E-5 0.0 0.173 0.531 0.49 0.153 0.40608243902439 0.509120856106543 0.5776 0.8164 3220739 BCB03_000609 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O17 compound treatment 0.701 1.05 1.04 0.568 0.926 0.86 -0.417 -0.16391756097561 -0.205509623059043 0.9766 0.7164 3070746 BCB03_000610 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O18 compound treatment -0.588 -0.243 -0.24 -0.451 -0.0934 -0.09 -1.019 -0.76591756097561 -0.960259708072521 -0.7438 -0.7483 3220741 BCB03_000611 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCC4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O19 compound treatment -0.484 -0.139 -0.14 -0.829 -0.471 -0.44 -0.841 -0.58791756097561 -0.737094400543619 -0.7573 -0.8728 3188534 BCB03_000612 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O20 compound treatment -0.605 -0.26 -0.26 -1.241 -0.883 -0.82 -0.522 -0.26891756097561 -0.33715207974744 -0.8161 -0.8854 3220743 BCB03_000613 COCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)N4CCOCC4)c(C(=O)OC)c3C(=O)OC)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O21 compound treatment 0.916 1.26 1.25 -0.17 0.188 0.17 -0.357 -0.10391756097561 -0.130285362094244 0.7489 0.5886 3188535 BCB03_000614 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O22 compound treatment 0.095 0.44 0.44 0.183 0.541 0.5 -0.042 0.21108243902439 0.264642007970948 0.6944 0.9704 3188660 BCB03_000615 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O23 compound treatment -1.284 -0.939 -0.93 -0.838 -0.48 -0.44 -0.613 -0.35991756097561 -0.451242208877385 -1.0563 -0.9362 3188536 BCB03_000616 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 O24 compound treatment -1.415 -1.07 -1.06 -0.928 -0.57 -0.53 -0.625 -0.37191756097561 -0.466287061070344 -1.1883 -0.9313 3188661 BCB03_000617 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P01 compound treatment 0.467 0.812 0.81 0.418 0.776 0.72 0.309 0.56208243902439 0.704703934615019 1.2876 0.9981 3071602 BCB03_000618 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P02 compound treatment 0.205 0.55 0.55 0.136 0.494 0.46 0.483 0.73608243902439 0.922854291412935 1.1124 0.954 3071666 BCB03_000619 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(Cc4ccccc4)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P03 compound treatment -1.298 -0.953 -0.95 -0.664 -0.306 -0.28 -0.302 -0.04891756097561 -0.0613297895431789 -0.7462 -0.7531 3071603 BCB03_000620 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P04 compound treatment -0.887 -0.542 -0.54 -0.631 -0.273 -0.25 -0.539 -0.28591756097561 -0.358465620354133 -0.6642 -0.9558 3071711 BCB03_000621 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(Cc4ccccc4)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P05 compound treatment -0.347 -0.00193 0.0 -0.317 0.0406 0.04 -0.148 0.10508243902439 0.131745813599804 0.0967 0.7055 3071604 BCB03_000622 CCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P06 compound treatment 0.137 0.482 0.48 0.095 0.453 0.42 -0.227 0.02608243902439 0.0327005366628193 0.5375 0.8432 3071776 BCB03_000623 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(Cc5ccccc5)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P07 compound treatment -0.12 0.225 0.22 -0.803 -0.445 -0.41 -1.011 -0.75791756097561 -0.950229806610548 -0.6575 -0.6205 3071651 BCB03_000624 IC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P08 compound treatment -0.949 -0.604 -0.6 -0.139 0.219 0.2 -0.923 -0.66991756097561 -0.839900890528844 -0.7147 -0.6793 3188405 BCB03_000625 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P09 compound treatment -1.528 -1.18 -1.18 -0.421 -0.0634 -0.06 -1.161 -0.90791756097561 -1.13829045902254 -1.3701 -0.8366 3071652 BCB03_000626 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P10 compound treatment -1.529 -1.18 -1.18 -0.789 -0.431 -0.4 -0.984 -0.73091756097561 -0.916378889176389 -1.4392 -0.932 3070929 BCB03_000627 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(C)C4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P11 mock treatment -0.875 -0.53 -0.53 -0.295 0.0626 0.06 -0.457 -0.20391756097561 -0.255659130368908 -0.4183 -0.7108 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P12 mock treatment -2.564 -2.22 -2.21 -1.291 -0.933 -0.86 -0.907 -0.65391756097561 -0.819841087604897 -2.246 -0.8958 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P13 compound treatment -0.682 -0.337 -0.33 -0.48 -0.122 -0.11 -0.029 0.22408243902439 0.280940597846654 -0.0966 -0.2139 3071653 BCB03_000628 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P14 compound treatment -1.049 -0.704 -0.7 -0.841 -0.483 -0.45 -0.562 -0.30891756097561 -0.387301587057306 -0.8861 -0.9667 3188406 BCB03_000629 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)COc5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P15 compound treatment -1.262 -0.917 -0.91 -0.967 -0.609 -0.56 -0.918 -0.66491756097561 -0.833632202115111 -1.3334 -0.9818 3188268 BCB03_000630 CCCCO[C@H]1C[C@H]2C(=C[C@]1(CO)C(=O)[C@@]32CO3)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P16 compound treatment -0.978 -0.633 -0.63 -0.501 -0.143 -0.13 -0.521 -0.26791756097561 -0.335898342064694 -0.6339 -0.8737 3070998 BCB03_000631 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P17 compound treatment -1.416 -1.07 -1.06 -1.46 -1.1 -1.02 -0.304 -0.05091756097561 -0.0638372649086722 -1.2409 -0.8405 3071714 BCB03_000632 OC[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P18 compound treatment -1.683 -1.34 -1.33 -1.086 -0.728 -0.67 -0.421 -0.16791756097561 -0.210524573790029 -1.2789 -0.8491 3188793 BCB03_000633 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P19 compound treatment -0.699 -0.354 -0.35 -1.358 -1.0 -0.93 -1.731 -1.47791756097561 -1.85292093818813 -1.8077 -0.8603 3071715 BCB03_000634 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P20 compound treatment -0.867 -0.522 -0.52 0.075 0.433 0.4 -0.678 -0.42491756097561 -0.532735158255916 -0.3759 -0.445 3071118 BCB03_000635 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P21 compound treatment -1.587 -1.24 -1.23 -1.523 -1.17 -1.08 -1.3 -1.04691756097561 -1.31255999692433 -2.0937 -0.9968 3071717 BCB03_000636 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P22 compound treatment -1.548 -1.2 -1.2 -0.851 -0.493 -0.46 -1.021 -0.76791756097561 -0.962767183438015 -1.5101 -0.9427 3071120 BCB03_000637 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(C)C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P23 compound treatment -2.342 -2.0 -1.99 -0.828 -0.47 -0.44 -1.088 -0.83491756097561 -1.04676760818204 -2.002 -0.8757 3071720 BCB03_000638 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2282 P24 compound treatment -1.832 -1.49 -1.48 -1.094 -0.736 -0.68 -1.073 -0.81991756097561 -1.02796154294084 -1.8406 -0.956 3188808 BCB03_000639 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A01 mock treatment -0.556 -0.211 -0.21 -1.828 -1.47 -1.36 -1.057 -0.80391756097561 -1.00790174001689 -1.489 -0.8724 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A02 mock treatment -0.616 -0.271 -0.27 -1.415 -1.06 -0.98 -0.81 -0.55691756097561 -0.698228532378473 -1.1239 -0.912 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A03 compound treatment -0.708 -0.363 -0.36 -1.2 -0.842 -0.78 -0.622 -0.36891756097561 -0.462525848022104 -0.9257 -0.9485 3614734 CMLD4_000001 CCC#CCOCC(=S)Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A04 compound treatment -0.406 -0.0609 -0.06 -0.365 -0.00739 -0.01 -0.133 0.12008243902439 0.150551878841004 0.048 0.2955 3614738 CMLD4_000002 CNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A05 compound treatment -0.117 0.228 0.23 -0.166 0.192 0.18 -0.622 -0.36891756097561 -0.462525848022104 -0.0337 -0.0619 3614742 CMLD4_000003 CC[C@@]1(O)C(=O)COc2c1cc3-c4nc5cccc(C(C)C)c5c(c4Cn3c2=O)[Si](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A06 compound treatment -0.68 -0.335 -0.33 0.337 0.695 0.64 -0.317 -0.06391756097561 -0.0801358547843785 0.1328 0.1823 3614746 CMLD4_000004 COC(=O)[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A07 compound treatment -0.27 0.0751 0.07 -0.444 -0.0864 -0.08 -0.328 -0.07491756097561 -0.0939269692945916 -0.0573 -0.3976 3614748 CMLD4_000005 CC(C)c1cccc2nc-3c(Cn4c3cccc4=O)c(c12)[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A08 compound treatment -0.153 0.192 0.19 -0.117 0.241 0.22 -0.001 0.25208243902439 0.31604525296356 0.4213 0.977 3614750 CMLD4_000006 CN(C)C(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A09 compound treatment -1.932 -1.59 -1.58 -2.622 -2.26 -2.1 -1.713 -1.45991756097561 -1.83035365989869 -3.1782 -0.9934 3614755 CMLD4_000007 CCc1cccc2c(c3CCOc3nc12)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A10 compound treatment -0.358 -0.0129 -0.01 -0.564 -0.206 -0.19 -0.415 -0.16191756097561 -0.203002147693549 -0.235 -0.8419 3614756 CMLD4_000008 CC(C)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A11 compound treatment -0.609 -0.264 -0.26 -1.219 -0.861 -0.8 -0.493 -0.23991756097561 -0.300793686947788 -0.7857 -0.8809 3614760 CMLD4_000009 COc1ccc2nc-3c(Cn4c3cccc4=O)c(c2c1)[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A12 compound treatment -0.489 -0.144 -0.14 -0.345 0.0126 0.01 -0.243 0.01008243902439 0.012640733738873 -0.0686 -0.4758 3614761 CMLD4_000010 CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3cccc(c3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A13 compound treatment -0.425 -0.0799 -0.08 -1.536 -1.18 -1.09 -0.847 -0.59391756097561 -0.744616826640099 -1.1057 -0.8356 3614762 CMLD4_000011 CCC#CCOCC(=O)Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A14 compound treatment -0.618 -0.273 -0.27 -1.138 -0.78 -0.72 -0.711 -0.45791756097561 -0.574108501786555 -0.9053 -0.9411 3614764 CMLD4_000012 COC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3cccc(c3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A15 compound treatment -0.887 -0.542 -0.54 -1.475 -1.12 -1.03 -0.748 -0.49491756097561 -0.620496796048181 -1.2667 -0.9587 3614765 CMLD4_000013 CCc1c2COCc2nc3cc(SC)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A16 compound treatment -0.332 0.0131 0.01 -0.168 0.19 0.18 0.115 0.36808243902439 0.461478824162171 0.3753 0.7598 3614766 CMLD4_000014 CCOC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A17 compound treatment -0.389 -0.0439 -0.04 -0.236 0.122 0.11 -1.358 -1.10491756097561 -1.38527678252363 -0.76 -0.5465 3614767 CMLD4_000015 Cc1ccc(/C=C/C(=O)NCC#C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A18 compound treatment -0.671 -0.326 -0.32 0.3 0.658 0.61 0.006 0.25908243902439 0.324821416742787 0.352 0.4617 3614770 CMLD4_000016 ClC1=C(NC2CCc3ccccc23)C(=O)c4ncccc4C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A19 compound treatment -0.769 -0.424 -0.42 -0.818 -0.46 -0.43 -0.603 -0.34991756097561 -0.438704832049918 -0.7427 -0.9999 1965263 CMLD4_000017 CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A20 compound treatment -1.085 -0.74 -0.74 -0.745 -0.387 -0.36 -0.533 -0.27991756097561 -0.350943194257653 -0.8344 -0.937 3614771 CMLD4_000018 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A21 compound treatment -1.183 -0.838 -0.83 -1.756 -1.4 -1.29 -1.368 -1.11491756097561 -1.3978141593511 -2.0356 -0.9789 3614772 CMLD4_000019 CC(C)NC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A22 compound treatment -0.809 -0.464 -0.46 -1.304 -0.946 -0.88 -0.619 -0.36591756097561 -0.458764634973864 -1.0371 -0.9503 3614773 CMLD4_000020 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A23 mock treatment -0.884 -0.539 -0.54 -1.144 -0.786 -0.73 -0.581 -0.32791756097561 -0.411122603029492 -0.9671 -0.9738 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 A24 mock treatment -1.285 -0.94 -0.93 -1.535 -1.18 -1.09 -0.941 -0.68791756097561 -0.862468168818283 -1.6669 -0.9952 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B01 mock treatment -0.212 0.133 0.13 -0.094 0.264 0.24 0.25 0.50308243902439 0.630733411332968 0.5815 0.8438 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B02 mock treatment -0.693 -0.348 -0.35 -0.847 -0.489 -0.45 -0.512 -0.25891756097561 -0.324614702919974 -0.6488 -0.9889 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B03 compound treatment -0.334 0.0111 0.01 -1.399 -1.04 -0.96 -0.812 -0.55891756097561 -0.700736007743966 -0.9549 -0.8011 3614775 CMLD4_000021 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B04 compound treatment -0.129 0.216 0.21 -0.222 0.136 0.13 -0.123 0.13008243902439 0.16308925566847 0.2907 0.9771 1693791 CMLD4_000022 CCOC(=O)C1=C(C)NC(=O)NC1c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B05 compound treatment -0.26 0.0851 0.08 -1.212 -0.854 -0.79 -0.42 -0.16691756097561 -0.209270836107283 -0.5287 -0.6427 3614778 CMLD4_000023 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(Br)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B06 compound treatment -0.098 0.247 0.25 -0.55 -0.192 -0.18 -0.615 -0.36191756097561 -0.453749684242878 -0.223 -0.4086 3614780 CMLD4_000024 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)Nc4ccc5ccccc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B07 compound treatment -0.322 0.0231 0.02 -0.332 0.0256 0.02 -0.77 -0.51691756097561 -0.648079025068607 -0.3472 -0.5351 3614783 CMLD4_000025 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B08 compound treatment -0.759 -0.414 -0.41 -0.643 -0.285 -0.26 -0.058 0.19508243902439 0.244582205047002 -0.2489 -0.4553 1965278 CMLD4_000026 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B09 compound treatment -0.821 -0.476 -0.47 -0.561 -0.203 -0.19 -0.083 0.17008243902439 0.213238762978336 -0.2588 -0.4687 3614786 CMLD4_000027 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc3ccccc3c2)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B10 compound treatment -0.785 -0.44 -0.44 -0.105 0.253 0.23 -0.058 0.19508243902439 0.244582205047002 0.0237 0.0429 3614789 CMLD4_000028 CC(Cc1ccccc1)C(=O)NCc2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B11 compound treatment -1.648 -1.3 -1.3 -0.854 -0.496 -0.46 -0.783 -0.52991756097561 -0.664377614944314 -1.3968 -0.915 3614790 CMLD4_000029 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc3OCOc3c2)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B12 compound treatment -0.983 -0.638 -0.63 -0.505 -0.147 -0.14 -0.31 -0.05691756097561 -0.071359691005152 -0.4862 -0.7449 3614792 CMLD4_000030 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(cc4)S(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B13 compound treatment -0.112 0.233 0.23 -0.267 0.0906 0.08 -0.16 0.09308243902439 0.116700961406844 0.2496 0.9154 1775499 CMLD4_000031 CCOC(=O)C1=C(C)N(C)C(=O)NC1c2cccc(c2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B14 compound treatment -0.532 -0.187 -0.19 -0.544 -0.186 -0.17 -0.321 -0.06791756097561 -0.0851508055153651 -0.2561 -0.9573 3614798 CMLD4_000032 CNC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B15 compound treatment -0.523 -0.178 -0.18 -1.265 -0.907 -0.84 -0.831 -0.57791756097561 -0.724557023716153 -1.0055 -0.895 3614802 CMLD4_000033 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccccc2Cl)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B16 compound treatment -0.394 -0.0489 -0.05 -0.787 -0.429 -0.4 -0.408 -0.15491756097561 -0.194225983914323 -0.3698 -0.8306 3614804 CMLD4_000034 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4cc(C)n(C)n4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B17 compound treatment -0.451 -0.106 -0.11 -0.827 -0.469 -0.43 -0.039 0.21408243902439 0.268403221019188 -0.1568 -0.3006 3614808 CMLD4_000035 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(Br)cc2)C(=O)OC(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B18 compound treatment -0.156 0.189 0.19 -0.421 -0.0634 -0.06 -0.452 -0.19891756097561 -0.249390441955175 -0.0694 -0.2183 3614810 CMLD4_000036 O=C(NCc1ccccc1)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B19 compound treatment -0.52 -0.175 -0.17 -0.782 -0.424 -0.39 -0.759 -0.50591756097561 -0.634287910558394 -0.6935 -0.9052 3614814 CMLD4_000037 CCCCN1C(=C(C(NC1=O)c2ccc(OC)cc2)C(=O)OCc3ccccc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B20 compound treatment -1.183 -0.838 -0.83 -0.379 -0.0214 -0.02 -0.622 -0.36891756097561 -0.462525848022104 -0.7594 -0.7969 3614816 CMLD4_000038 O=C(NCc1ccccn1)[C@@H]2C[C@H]2[C@@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B21 compound treatment -0.209 0.136 0.14 -0.689 -0.331 -0.31 -0.699 -0.44591756097561 -0.559063649593596 -0.4218 -0.6471 3614818 CMLD4_000039 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cc3ccccc3c4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B22 compound treatment -1.263 -0.918 -0.91 -0.973 -0.615 -0.57 -0.274 -0.02091756097561 -0.0262251344262729 -0.871 -0.8093 3614821 CMLD4_000040 COCCNC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B23 mock treatment -1.653 -1.31 -1.3 -1.121 -0.763 -0.71 -0.777 -0.52391756097561 -0.656855188847834 -1.5381 -0.9499 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 B24 mock treatment -1.21 -0.865 -0.86 -0.663 -0.305 -0.28 -0.469 -0.21591756097561 -0.270703982561868 -0.816 -0.8637 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C01 mock treatment -0.146 0.199 0.2 -0.232 0.126 0.12 -0.706 -0.45291756097561 -0.567839813372822 -0.1464 -0.2391 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C02 mock treatment -0.502 -0.157 -0.16 -0.302 0.0556 0.05 -0.273 -0.01991756097561 -0.0249713967435263 -0.0748 -0.4499 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C03 compound treatment -0.194 0.151 0.15 0.135 0.493 0.46 0.499 0.75208243902439 0.942914094336882 0.8944 0.8453 3614824 CMLD4_000041 COc1cc2nc-3c(Cn4c3cccc4=O)c(c2cc1OC)[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C04 compound treatment -1.107 -0.762 -0.76 -1.23 -0.872 -0.81 -0.65 -0.39691756097561 -0.49763050313901 -1.191 -0.981 3614825 CMLD4_000042 C[C@]1(C[C@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C05 compound treatment 0.133 0.478 0.48 -0.235 0.123 0.11 -0.637 -0.38391756097561 -0.481331913263304 0.0621 0.0905 3614827 CMLD4_000043 CC(C)c1ccc2c(c3Cn4c(cccc4=O)-c3nc2c1)[Si](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C06 compound treatment -0.322 0.0231 0.02 -0.213 0.145 0.13 -0.067 0.18608243902439 0.233298565902282 0.2252 0.8343 3614828 CMLD4_000044 COC(=O)[C@@]1(C)C[C@@H]1[C@@H](NC(=O)[C@@]2(C)C[C@@H]2[C@@H](NC(=O)[C@@]3(C)C[C@@H]3[C@@H](NC(=O)[C@@]4(C)C[C@@H]4[C@@H](NC(=O)OCc5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C07 compound treatment 0.016 0.361 0.36 -0.202 0.156 0.14 -0.259 -0.00591756097561003 -0.00741906918507327 0.2862 0.7397 3614830 CMLD4_000045 CC(C)c1cccc2c(c3Cn4c(cccc4=O)-c3nc12)[Si](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C08 compound treatment -0.834 -0.489 -0.49 -0.901 -0.543 -0.5 -0.568 -0.31491756097561 -0.394824013153786 -0.7991 -0.9947 3614832 CMLD4_000046 COC(=O)[C@@H]1CCCN1C(=O)[C@H]2C[C@@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C09 compound treatment -1.64 -1.29 -1.29 -0.837 -0.479 -0.44 -0.559 -0.30591756097561 -0.383540374009066 -1.221 -0.863 3614834 CMLD4_000047 CCc1c2CC(C)Oc2nc3ccc(OC)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C10 compound treatment -2.141 -1.8 -1.79 -1.579 -1.22 -1.13 -0.736 -0.48291756097561 -0.605451943855222 -2.0333 -0.9249 4981 CMLD4_000048 CNC1=C(Br)C(=O)c2ccncc2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C11 compound treatment -1.722 -1.38 -1.37 -1.276 -0.918 -0.85 -0.939 -0.68591756097561 -0.85996069345279 -1.7778 -0.9733 3614836 CMLD4_000049 CCCCc1c2c3ccccc3[nH]c2nc4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C12 compound treatment -0.647 -0.302 -0.3 -0.019 0.339 0.31 -0.266 -0.01291756097561 -0.0161952329642998 -0.0016 -0.0038 3614839 CMLD4_000050 CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc(C#N)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C13 compound treatment -0.14 0.205 0.2 0.025 0.383 0.35 0.322 0.57508243902439 0.721002524490726 0.7385 0.8911 3614841 CMLD4_000051 CCc1c2COCc2nc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C14 compound treatment -0.035 0.31 0.31 -0.623 -0.265 -0.25 -0.298 -0.04491756097561 -0.0563148388121923 0.0036 0.009 3614843 CMLD4_000052 COC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(C#N)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C15 compound treatment -0.069 0.276 0.27 -0.191 0.167 0.15 0.642 0.89508243902439 1.12219858296965 0.8954 0.7683 3614845 CMLD4_000053 [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)N3CCCCC3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C16 compound treatment -0.453 -0.108 -0.11 -0.412 -0.0544 -0.05 -0.547 -0.29391756097561 -0.368495521816106 -0.3038 -0.7848 1605644 CMLD4_000054 CCOC(=O)C1=C(C)NC(=O)NC1C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C17 compound treatment -0.138 0.207 0.21 -1.411 -1.05 -0.98 -1.294 -1.04091756097561 -1.30503757082785 -1.1977 -0.7293 3614848 CMLD4_000055 O=C(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C18 compound treatment -0.571 -0.226 -0.22 -0.644 -0.286 -0.27 -0.502 -0.24891756097561 -0.312077326092507 -0.463 -0.9912 3614852 CMLD4_000056 CC1(C)OCC(CSC2=C(SCC3COC(C)(C)O3)C(=O)c4ncccc4C2=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C19 mock treatment -0.484 -0.139 -0.14 -0.773 -0.415 -0.38 -0.763 -0.50991756097561 -0.639302861289381 -0.6709 -0.8842 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C20 compound treatment -0.779 -0.434 -0.43 -0.896 -0.538 -0.5 -0.707 -0.45391756097561 -0.569093551055569 -0.8655 -0.9937 3614855 CMLD4_000057 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(Br)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C21 compound treatment -0.675 -0.33 -0.33 -0.463 -0.105 -0.1 0.41 0.66308243902439 0.83133144057243 0.2343 0.2606 3614856 CMLD4_000058 COC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C22 compound treatment -0.988 -0.643 -0.64 -0.932 -0.574 -0.53 0.191 0.44408243902439 0.556762888050916 -0.3547 -0.3544 3614859 CMLD4_000059 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OC(=O)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C23 mock treatment -1.557 -1.21 -1.2 -0.885 -0.527 -0.49 -1.046 -0.79291756097561 -0.994110625506681 -1.5515 -0.948 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 C24 mock treatment -1.558 -1.21 -1.21 -0.797 -0.439 -0.41 -0.947 -0.69391756097561 -0.869990594914763 -1.4334 -0.9298 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D01 mock treatment -1.215 -0.87 -0.86 -0.343 0.0146 0.01 -0.522 -0.26891756097561 -0.33715207974744 -0.6862 -0.7391 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D02 mock treatment -1.77 -1.42 -1.42 0.219 0.577 0.53 -0.797 -0.54391756097561 -0.681929942502767 -0.9033 -0.5441 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D03 compound treatment -0.785 -0.44 -0.44 -0.013 0.345 0.32 -0.858 -0.60491756097561 -0.758407941150312 -0.5062 -0.5432 3614862 CMLD4_000060 OC(=O)C1=CC(NC(=O)N1)c2cccc(Cl)c2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D04 compound treatment -0.888 -0.543 -0.54 0.279 0.637 0.59 -0.515 -0.26191756097561 -0.328375915968214 -0.1609 -0.1862 3614864 CMLD4_000061 OC(=O)CCCNC(=O)Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D05 compound treatment -0.675 -0.33 -0.33 -0.563 -0.205 -0.19 -0.52 -0.26691756097561 -0.334644604381947 -0.4924 -0.9736 3614866 CMLD4_000062 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D06 compound treatment -0.493 -0.148 -0.15 -0.558 -0.2 -0.19 -0.721 -0.46791756097561 -0.586645878614022 -0.5307 -0.8389 3614867 CMLD4_000063 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)Nc4ccc5ccccc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D07 compound treatment -0.88 -0.535 -0.53 -0.518 -0.16 -0.15 -0.573 -0.31991756097561 -0.401092701567519 -0.6244 -0.9149 3614869 CMLD4_000064 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccc(cc3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D08 compound treatment -0.618 -0.273 -0.27 -0.524 -0.166 -0.15 -0.461 -0.20791756097561 -0.260674081099895 -0.3961 -0.9742 3614871 CMLD4_000065 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCn7cc(nc7C)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D09 compound treatment -0.682 -0.337 -0.33 -0.954 -0.596 -0.55 -0.591 -0.33791756097561 -0.423659979856958 -0.7568 -0.9798 3614876 CMLD4_000066 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(Cl)cc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D10 compound treatment -0.443 -0.0979 -0.1 -0.239 0.119 0.11 -0.231 0.02208243902439 0.0276855859318327 0.0232 0.1552 3614878 CMLD4_000067 COC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D11 compound treatment -1.436 -1.09 -1.08 -0.719 -0.361 -0.33 -0.841 -0.58791756097561 -0.737094400543619 -1.2449 -0.9199 3614882 CMLD4_000068 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2OS(=O)(=O)c3ccc(C)cc3)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D12 compound treatment -1.503 -1.16 -1.15 -0.861 -0.503 -0.47 -0.852 -0.59891756097561 -0.750885515053832 -1.3673 -0.9421 3614884 CMLD4_000069 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccccn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D13 compound treatment 0.029 0.374 0.37 -0.087 0.271 0.25 0.186 0.43908243902439 0.550494199637182 0.6772 0.9538 3614888 CMLD4_000070 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cc3OCOc3cc2[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D14 compound treatment -0.479 -0.134 -0.13 -0.402 -0.0444 -0.04 -0.402 -0.14891756097561 -0.186703557817843 -0.2084 -0.8945 3614889 CMLD4_000071 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(cc4)S(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D15 compound treatment -0.374 -0.0289 -0.03 -0.657 -0.299 -0.28 -0.795 -0.54191756097561 -0.679422467137274 -0.5689 -0.7747 3614890 CMLD4_000072 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc(cc2)c3ccccc3)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D16 compound treatment -0.647 -0.302 -0.3 -0.451 -0.0934 -0.09 -0.5 -0.24691756097561 -0.309569850727014 -0.402 -0.914 3614891 CMLD4_000073 OC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D17 compound treatment -0.186 0.159 0.16 -0.482 -0.124 -0.12 0.387 0.64008243902439 0.802495473869258 0.4881 0.591 3614893 CMLD4_000074 CCOC(=O)C1=C(C)N(CCCC(=O)NCCn2c(C)c(cc2c3ccccc3)C(=O)OC)C(=O)NC1c4ccc(Br)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D18 compound treatment -0.535 -0.19 -0.19 -0.413 -0.0554 -0.05 0.09 0.34308243902439 0.430135382093505 0.1097 0.2322 3614894 CMLD4_000075 O=C(NCCc1c[nH]c2ccccc12)[C@H]3C[C@@H]3[C@H](NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D19 compound treatment -0.586 -0.241 -0.24 -0.829 -0.471 -0.44 -0.207 0.04608243902439 0.0577752903177522 -0.3569 -0.7121 3614896 CMLD4_000076 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2)C(=O)OCC(Br)(Br)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D20 compound treatment -1.055 -0.71 -0.71 -0.644 -0.286 -0.27 -0.495 -0.24191756097561 -0.303301162313281 -0.7357 -0.9053 3614897 CMLD4_000077 Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D21 compound treatment -0.229 0.116 0.12 -0.962 -0.604 -0.56 0.119 0.37208243902439 0.466493774893158 0.0128 0.0174 3614900 CMLD4_000078 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2OC(=O)c3ccc(I)cc3)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D22 compound treatment -0.518 -0.173 -0.17 -0.455 -0.0974 -0.09 -0.433 -0.17991756097561 -0.225569425982989 -0.2816 -0.9461 3614902 CMLD4_000079 COc1ccc(CNC(=O)[C@H](C)[C@H]2C[C@]2(C)[C@H](NC(=O)OCc3ccccc3)c4ccccc4)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D23 mock treatment -1.407 -1.06 -1.06 -0.764 -0.406 -0.38 -0.774 -0.52091756097561 -0.653093975799594 -1.2038 -0.928 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 D24 mock treatment -1.768 -1.42 -1.41 -1.022 -0.664 -0.62 -0.646 -0.39291756097561 -0.492615552408024 -1.4563 -0.8993 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E01 mock treatment -0.265 0.0801 0.08 -1.184 -0.826 -0.77 -0.495 -0.24191756097561 -0.303301162313281 -0.5709 -0.6904 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E02 mock treatment -0.642 -0.297 -0.3 -1.593 -1.24 -1.14 -0.833 -0.57991756097561 -0.727064499081646 -1.2506 -0.9016 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E03 compound treatment 1.632 1.98 1.51 2.668 3.03 1.57 1.416 1.66908243902439 1.74642045824027 2.7885 0.9981 3614906 CMLD4_000080 CN(C)c1ccc2nc-3c(Cn4c3cccc4=O)c(c2c1)[Si](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E04 compound treatment -0.573 -0.228 -0.23 -0.645 -0.287 -0.27 -0.743 -0.48991756097561 -0.614228107634448 -0.6391 -0.9043 3614908 CMLD4_000081 COC(=O)[C@]1(C)C[C@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E05 compound treatment 0.492 0.837 0.83 0.185 0.543 0.5 0.061 0.31408243902439 0.393776989293852 0.9979 0.9514 3614912 CMLD4_000082 CCc1cccc2nc-3c(Cn4c3cccc4=O)c(c12)[Si](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E06 compound treatment -0.351 -0.00593 -0.01 -0.111 0.247 0.23 -0.505 -0.25191756097561 -0.315838539140747 -0.0539 -0.1383 3614914 CMLD4_000083 CC(C)NC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)[C@]2(C)C[C@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E07 compound treatment -0.069 0.276 0.27 -0.049 0.309 0.29 -0.058 0.19508243902439 0.244582205047002 0.4646 0.9979 3614917 CMLD4_000084 CC(C)c1cccc2nc-3c(Cn4c3cccc4=O)c(c12)[Si](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E08 compound treatment -1.109 -0.764 -0.76 -0.764 -0.406 -0.38 -0.634 -0.38091756097561 -0.477570700215064 -0.9315 -0.9574 3614919 CMLD4_000085 CN(C)C(=O)[C@H]1C[C@@H]1[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]3C[C@@H]3[C@H](NC(=O)OCc4ccccc4)c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E09 compound treatment -0.502 -0.157 -0.16 -1.72 -1.36 -1.26 -0.945 -0.69191756097561 -0.86748311954927 -1.3192 -0.8573 3614923 CMLD4_000086 COc1ccc2nc3CCCc3c(c4ccccc4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E10 compound treatment -1.9 -1.55 -1.55 -3.224 -2.87 -2.65 -1.252 -0.99891756097561 -1.25238058815249 -3.1479 -0.949 4982 CMLD4_000087 CNC1=C(Cl)C(=O)c2ccncc2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E11 compound treatment -1.055 -0.71 -0.71 -1.97 -1.61 -1.49 -0.827 -0.57391756097561 -0.719542072985166 -1.6849 -0.9353 3614925 CMLD4_000088 CCC1Cc2c(O1)nc3cccc(OC)c3c2CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E12 compound treatment -0.732 -0.387 -0.38 -0.76 -0.402 -0.37 -0.596 -0.34291756097561 -0.429928668270692 -0.6854 -0.9981 3614926 CMLD4_000089 CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E13 compound treatment -0.318 0.0271 0.03 -0.425 -0.0674 -0.06 -0.194 0.05908243902439 0.0740738801934585 0.0223 0.2216 3614928 CMLD4_000090 CC(C)c1cccc2nc-3c(Cn4c3cccc4=O)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E14 compound treatment -0.344 0.00107 0.0 -1.214 -0.856 -0.79 -0.706 -0.45291756097561 -0.567839813372822 -0.7851 -0.8049 3614930 CMLD4_000091 COC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(Br)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E15 compound treatment 0.284 0.629 0.63 0.595 0.953 0.88 0.173 0.42608243902439 0.534195609761476 1.1788 0.9774 1071887 CMLD4_000092 O=c1cccc2-c3nc4ccccc4cc3Cn21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E16 compound treatment -0.324 0.0211 0.02 -0.489 -0.131 -0.12 -0.659 -0.40591756097561 -0.50891414228373 -0.352 -0.6721 3614934 CMLD4_000093 CCOC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3cccc(c3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E17 compound treatment -0.09 0.255 0.25 -1.019 -0.661 -0.61 -1.217 -0.96391756097561 -1.20849976925636 -0.9049 -0.6565 3614936 CMLD4_000094 CC(C#C)N(Cc1ccccc1)C(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E18 compound treatment -0.374 -0.0289 -0.03 -0.117 0.241 0.22 -0.602 -0.34891756097561 -0.437451094367172 -0.1405 -0.2858 3614939 CMLD4_000095 ClC1=C(NCCN2CCOCC2)C(=O)c3cnncc3C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E19 compound treatment -0.488 -0.143 -0.14 -0.612 -0.254 -0.24 -0.622 -0.36891756097561 -0.462525848022104 -0.4851 -0.9014 3614941 CMLD4_000096 OCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E20 compound treatment 0.05 0.395 0.39 0.218 0.576 0.53 0.24 0.49308243902439 0.618196034505501 0.8914 0.9841 3614943 CMLD4_000097 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1C(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E21 compound treatment 0.047 0.392 0.39 -0.328 0.0296 0.03 -0.079 0.17408243902439 0.218253713709322 0.3669 0.8197 3614944 CMLD4_000098 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(cc4)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E22 compound treatment -1.537 -1.19 -1.18 -1.976 -1.62 -1.5 -0.758 -0.50491756097561 -0.633034172875648 -1.9148 -0.9514 3614946 CMLD4_000099 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OC(=O)c3cccc(I)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E23 mock treatment -0.397 -0.0519 -0.05 -0.523 -0.165 -0.15 -0.491 -0.23791756097561 -0.298286211582294 -0.2904 -0.8561 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 E24 mock treatment -1.427 -1.08 -1.08 -2.503 -2.15 -1.99 -1.157 -0.90391756097561 -1.13327550829156 -2.4222 -0.9584 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F01 mock treatment -0.447 -0.102 -0.1 -0.423 -0.0654 -0.06 -0.364 -0.11091756097561 -0.139061525873471 -0.1738 -0.9525 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F02 mock treatment -0.763 -0.418 -0.42 -0.53 -0.172 -0.16 -0.624 -0.37091756097561 -0.465033323387598 -0.6005 -0.9329 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F03 compound treatment -0.492 -0.147 -0.15 -1.054 -0.696 -0.64 -0.696 -0.44291756097561 -0.555302436545356 -0.7772 -0.9002 3614947 CMLD4_000100 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F04 compound treatment -0.268 0.0771 0.08 -0.489 -0.131 -0.12 -0.301 -0.04791756097561 -0.0600760518604322 -0.0607 -0.3895 3614948 CMLD4_000101 NC(=O)NCc1ccc(cc1)C(=O)OCc2ccncc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F05 compound treatment -0.322 0.0231 0.02 -0.841 -0.483 -0.45 -1.123 -0.86991756097561 -1.09064842707817 -0.8749 -0.7419 3614949 CMLD4_000102 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(C#N)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F06 compound treatment -0.313 0.0321 0.03 -1.265 -0.907 -0.84 -1.195 -0.94191756097561 -1.18091754023593 -1.1485 -0.7922 3614950 CMLD4_000103 CCC/C=C(\CCC)/C(NC(=O)c1ccco1)c2ccc(cc2)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F07 compound treatment -0.767 -0.422 -0.42 -0.776 -0.418 -0.39 -0.662 -0.40891756097561 -0.51267535533197 -0.7618 -0.9928 3614952 CMLD4_000104 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F08 compound treatment -0.872 -0.527 -0.52 -0.603 -0.245 -0.23 -0.797 -0.54391756097561 -0.681929942502767 -0.8273 -0.9302 3614953 CMLD4_000105 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)N[C@@H](CO)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F09 compound treatment -1.178 -0.833 -0.83 -0.758 -0.4 -0.37 -0.609 -0.35591756097561 -0.446227258146398 -0.9498 -0.9394 3614957 CMLD4_000106 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2Cl)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F10 compound treatment -0.463 -0.118 -0.12 -0.557 -0.199 -0.18 -0.171 0.08208243902439 0.102909846896631 -0.1149 -0.4752 3614959 CMLD4_000107 COC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F11 compound treatment -1.829 -1.48 -1.48 -0.892 -0.534 -0.49 -0.93 -0.67691756097561 -0.84867705430807 -1.6274 -0.9182 3614961 CMLD4_000108 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F12 compound treatment -1.172 -0.827 -0.82 -0.609 -0.251 -0.23 -0.163 0.09008243902439 0.112939748358604 -0.5438 -0.631 3614963 CMLD4_000109 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(C)o4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F13 compound treatment -0.581 -0.236 -0.23 -0.988 -0.63 -0.58 -0.574 -0.32091756097561 -0.402346439250266 -0.7047 -0.9437 3614967 CMLD4_000110 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccccc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F14 compound treatment 0.907 1.25 1.24 -0.2 0.158 0.15 0.462 0.71508243902439 0.896525800075256 1.3205 0.857 3614968 CMLD4_000111 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccccn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F15 compound treatment -0.59 -0.245 -0.24 -1.035 -0.677 -0.63 -0.852 -0.59891756097561 -0.750885515053832 -0.9362 -0.9286 3614971 CMLD4_000112 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F16 compound treatment -0.709 -0.364 -0.36 -0.431 -0.0734 -0.07 -0.598 -0.34491756097561 -0.432436143636185 -0.4978 -0.8765 3614973 CMLD4_000113 CNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F17 compound treatment 0.099 0.444 0.44 -0.257 0.101 0.09 -0.237 0.01608243902439 0.0201631598353529 0.3203 0.7092 3614976 CMLD4_000114 CCOC(=O)C1=C(C)N(CCCC(=O)NCCn2c(C)c(cc2c3ccccc3)C(=O)OC)C(=O)NC1c4ccc(cc4)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F18 compound treatment -0.485 -0.14 -0.14 -0.324 0.0336 0.03 -0.556 -0.30291756097561 -0.379779160960826 -0.2816 -0.6942 3614979 CMLD4_000115 O=C(NCC1CC1)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F19 compound treatment -0.701 -0.356 -0.35 -0.8 -0.442 -0.41 -0.802 -0.54891756097561 -0.6881986309165 -0.8381 -0.9572 3614983 CMLD4_000116 CC1=C(C(NC(=O)N1CCCC(=O)O)c2cccc3ccccc23)C(=O)OCC(Br)(Br)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F20 compound treatment -0.892 -0.547 -0.54 -0.586 -0.228 -0.21 -0.608 -0.35491756097561 -0.444973520463651 -0.6929 -0.9444 3614985 CMLD4_000117 C[C@H](CO)NC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F21 compound treatment 0.031 0.376 0.37 -0.1 0.258 0.24 0.298 0.55108243902439 0.690912820104806 0.7525 0.9165 3614990 CMLD4_000118 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=C(C(NC2=O)c3ccc(cc3)c4ccccc4)C(=O)OCc5ccccc5)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F22 compound treatment -0.596 -0.251 -0.25 -0.385 -0.0274 -0.03 -0.06 0.19308243902439 0.242074729681509 -0.0189 -0.0543 3614992 CMLD4_000119 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(C)c(F)c4F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F23 mock treatment -2.157 -1.81 -1.8 -0.528 -0.17 -0.16 -0.867 -0.61391756097561 -0.769691580295032 -1.5755 -0.8017 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 F24 mock treatment -1.278 -0.933 -0.93 -0.839 -0.481 -0.45 -0.737 -0.48391756097561 -0.606705681537968 -1.1431 -0.9569 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G01 mock treatment -0.575 -0.23 -0.23 -0.364 -0.00639 -0.01 0.589 0.84208243902439 1.05575048578408 0.4741 0.4389 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G02 mock treatment -0.562 -0.217 -0.22 -0.439 -0.0814 -0.08 -0.338 -0.08491756097561 -0.106464346122058 -0.2295 -0.9105 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G03 compound treatment -1.224 -0.879 -0.87 -0.666 -0.308 -0.29 -0.209 0.04408243902439 0.0552678149522589 -0.6374 -0.6922 3614996 CMLD4_000120 CC(C)(C)[Si](C)(C)c1c2Cn3c(cccc3=O)-c2nc4ccc(OCc5ccccc5)cc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G04 compound treatment -0.717 -0.372 -0.37 -0.638 -0.28 -0.26 -0.584 -0.33091756097561 -0.414883816077732 -0.6029 -0.9829 3614998 CMLD4_000121 COC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)c2ccc(Br)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G05 compound treatment 0.015 0.36 0.36 -1.176 -0.818 -0.76 -1.093 -0.83991756097561 -1.05303629659577 -0.8388 -0.6233 3615000 CMLD4_000122 CC[Si](CC)(CC)c1c2Cn3c(cccc3=O)-c2nc4ccc(OC)cc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G06 compound treatment -1.016 -0.671 -0.67 -0.992 -0.634 -0.59 -0.541 -0.28791756097561 -0.360973095719626 -0.9327 -0.9722 3615001 CMLD4_000123 CNC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)[C@]2(C)C[C@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G07 compound treatment -0.521 -0.176 -0.17 -0.589 -0.231 -0.21 -0.507 -0.25391756097561 -0.318346014506241 -0.4085 -0.9686 3615005 CMLD4_000124 CCc1c2Cn3c(cccc3=O)-c2nc4c(cccc14)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G08 compound treatment -1.041 -0.696 -0.69 -0.776 -0.418 -0.39 -0.687 -0.43391756097561 -0.544018797400636 -0.9372 -0.9746 3615006 CMLD4_000125 COC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G09 compound treatment -1.324 -0.979 -0.97 -0.649 -0.291 -0.27 -0.148 0.10508243902439 0.131745813599804 -0.6416 -0.63 3615008 CMLD4_000126 CCCCC#Cc1ccccc1CC(=O)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G10 compound treatment -2.24 -1.89 -1.88 -1.253 -0.895 -0.83 -0.866 -0.61291756097561 -0.768437842612285 -2.01 -0.9149 4983 CMLD4_000127 OCCNC1=CC(=O)c2ccncc2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G11 compound treatment -1.363 -1.02 -1.01 -0.487 -0.129 -0.12 -0.385 -0.13191756097561 -0.16539001721115 -0.7489 -0.7254 3615009 CMLD4_000128 CCC1Cc2c(O1)nc3ccc(OC)cc3c2CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G12 compound treatment -0.706 -0.361 -0.36 -0.471 -0.113 -0.1 -0.287 -0.03391756097561 -0.0425237243019792 -0.2923 -0.7769 3615010 CMLD4_000129 CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc(Br)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G13 compound treatment -0.512 -0.167 -0.17 -0.331 0.0266 0.02 0.089 0.34208243902439 0.428881644410758 0.166 0.3605 3615011 CMLD4_000130 CC(C)c1cccc2cc3Cn4c(cccc4=O)-c3nc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G14 compound treatment -0.123 0.222 0.22 -0.194 0.164 0.15 -0.194 0.05908243902439 0.0740738801934585 0.2577 0.9276 3615012 CMLD4_000131 COC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G15 compound treatment 0.529 0.874 0.87 0.231 0.589 0.55 0.523 0.77608243902439 0.973003798722801 1.3781 0.9748 3615014 CMLD4_000132 C1Oc2cc3cc4Cc5ccccc5-c4nc3cc2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G16 compound treatment -1.116 -0.771 -0.77 -0.788 -0.43 -0.4 -0.358 -0.10491756097561 -0.131539099776991 -0.7485 -0.8566 3615016 CMLD4_000133 CC(=O)OCC(=O)NCC(=O)c1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G17 compound treatment 0.729 1.07 1.07 0.471 0.829 0.77 0.172 0.42508243902439 0.53294187207873 1.3672 0.9636 3615017 CMLD4_000134 CC(C)OC1=C(OC(C)C)C(O)(C#CCN(C(=O)/C=C/c2ccccc2)C(C)(C)C)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G18 compound treatment -0.928 -0.583 -0.58 -1.186 -0.828 -0.77 -0.581 -0.32791756097561 -0.411122603029492 -1.0148 -0.9706 3615021 CMLD4_000135 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G19 compound treatment -1.454 -1.11 -1.1 -1.163 -0.805 -0.75 -1.265 -1.01191756097561 -1.2686791780282 -1.7995 -0.9787 3615024 CMLD4_000136 COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(Br)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G20 compound treatment -1.049 -0.704 -0.7 -0.393 -0.0354 -0.03 -0.125 0.12808243902439 0.160581780302977 -0.3303 -0.4595 1237977 CMLD4_000137 CCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G21 compound treatment -0.266 0.0791 0.08 -0.176 0.182 0.17 0.167 0.42008243902439 0.526673183664996 0.4465 0.7996 3615028 CMLD4_000138 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G22 compound treatment -0.749 -0.404 -0.4 -0.698 -0.34 -0.32 -0.605 -0.35191756097561 -0.441212307415411 -0.6686 -0.9908 3615032 CMLD4_000139 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(Cl)cc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G23 mock treatment -1.649 -1.3 -1.3 -1.008 -0.65 -0.6 -0.734 -0.48091756097561 -0.602944468489728 -1.4442 -0.931 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 G24 mock treatment -1.42 -1.07 -1.07 -0.764 -0.406 -0.38 -0.742 -0.48891756097561 -0.612974369951702 -1.1881 -0.9224 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H01 mock treatment -0.55 -0.205 -0.2 -0.643 -0.285 -0.26 -0.171 0.08208243902439 0.102909846896631 -0.2108 -0.6036 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H02 mock treatment -0.238 0.107 0.11 -0.258 0.0996 0.09 0.144 0.39708243902439 0.497837216961824 0.4021 0.7773 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H03 compound treatment -0.417 -0.0719 -0.07 -0.746 -0.388 -0.36 -0.47 -0.21691756097561 -0.271957720244615 -0.4059 -0.8892 3615033 CMLD4_000140 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccc(cc3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H04 compound treatment -0.583 -0.238 -0.24 -0.928 -0.57 -0.53 -1.234 -0.98091756097561 -1.22981330986305 -1.1515 -0.8472 3615034 CMLD4_000141 NCC#CC(CCc1ccccc1)OCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H05 compound treatment -0.824 -0.479 -0.48 -0.381 -0.0234 -0.02 -0.477 -0.22391756097561 -0.280733884023841 -0.4495 -0.8126 3615036 CMLD4_000142 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cccc(OC)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H06 compound treatment -0.662 -0.317 -0.32 -0.709 -0.351 -0.33 -0.958 -0.70491756097561 -0.883781709424976 -0.88 -0.8861 1965336 CMLD4_000143 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(cc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H07 compound treatment 0.611 0.956 0.95 -0.409 -0.0514 -0.05 -0.133 0.12008243902439 0.150551878841004 0.6082 0.6312 3615038 CMLD4_000144 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H08 compound treatment -0.755 -0.41 -0.41 -0.616 -0.258 -0.24 -0.609 -0.35591756097561 -0.446227258146398 -0.6311 -0.9709 3615040 CMLD4_000145 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)N[C@@H](CO)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H09 compound treatment -0.804 -0.459 -0.46 -0.881 -0.523 -0.48 -0.206 0.04708243902439 0.0590290280004988 -0.5091 -0.7619 3615042 CMLD4_000146 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(cc2)c3ccccc3)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H10 compound treatment -0.036 0.309 0.31 -0.22 0.138 0.13 0.034 0.28708243902439 0.359926071859693 0.4588 0.9361 3615006 CMLD4_000147 COC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H11 compound treatment -0.735 -0.39 -0.39 -0.697 -0.339 -0.31 -0.747 -0.49391756097561 -0.619243058365435 -0.7628 -0.9591 3615045 CMLD4_000148 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2OS(=O)(=O)c3ccc(cc3)[N+](=O)[O-])C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H12 compound treatment -1.447 -1.1 -1.1 -0.763 -0.405 -0.38 -0.815 -0.56191756097561 -0.704497220792206 -1.256 -0.9266 3615047 CMLD4_000149 C[C@H](CO)NC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H13 compound treatment -0.574 -0.229 -0.23 -0.528 -0.17 -0.16 0.01 0.26308243902439 0.329836367473774 -0.0321 -0.0744 3615049 CMLD4_000150 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cccc(Cl)c2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H14 compound treatment -1.256 -0.911 -0.91 -0.133 0.225 0.21 -0.71 -0.45691756097561 -0.572854764103809 -0.7335 -0.672 3615050 CMLD4_000151 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(C)o4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H15 compound treatment -0.543 -0.198 -0.2 -0.856 -0.498 -0.46 -0.663 -0.40991756097561 -0.513929093014717 -0.6768 -0.9423 3615051 CMLD4_000152 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2cccc(Cl)c2Cl)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H16 compound treatment -0.311 0.0341 0.03 -0.425 -0.0674 -0.06 -0.159 0.09408243902439 0.117954699089591 0.0516 0.375 3615052 CMLD4_000153 O=C(Nc1ccc2ccccc2c1)[C@H]3C[C@@H]3[C@H](NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H17 compound treatment -1.123 -0.778 -0.77 -1.162 -0.804 -0.74 -2.164 -1.91091756097561 -2.39578935481743 -2.2598 -0.8607 3615054 CMLD4_000154 COC(=O)c1cc(c2ccccc2)n(CCNC(=O)CCCCCN3C(=C(C(NC3=O)c4ccc(cc4)c5ccccc5)C(=O)OCc6ccccc6)C)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H18 compound treatment -0.592 -0.247 -0.25 -0.729 -0.371 -0.34 -0.408 -0.15491756097561 -0.194225983914323 -0.4524 -0.9729 3615057 CMLD4_000155 Cc1cc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)nn1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H19 compound treatment -0.749 -0.404 -0.4 -1.257 -0.899 -0.83 -1.429 -1.17591756097561 -1.47429215799864 -1.5638 -0.8987 3615059 CMLD4_000156 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(Br)cc2)C(=O)OCC(Br)(Br)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H20 compound treatment -0.431 -0.0859 -0.09 -0.708 -0.35 -0.32 -0.713 -0.45991756097561 -0.576615977152049 -0.5696 -0.8537 3615061 CMLD4_000157 O=C(NCc1ccccc1)[C@@H]2C[C@H]2[C@@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H21 compound treatment 0.014 0.359 0.36 -0.468 -0.11 -0.1 -0.543 -0.28991756097561 -0.36348057108512 -0.0628 -0.1208 3615063 CMLD4_000158 CCOC(=O)C(=CNc1ccc(O)c(c1)C(=O)OC)C(=O)OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H22 compound treatment -0.656 -0.311 -0.31 -0.561 -0.203 -0.19 -0.67 -0.41691756097561 -0.522705256793943 -0.589 -0.9264 3615065 CMLD4_000159 COc1ccc(CNC(=O)[C@H](C)[C@@H]2C[C@@]2(C)[C@@H](NC(=O)OCc3ccccc3)c4ccccc4)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H23 mock treatment -0.727 -0.382 -0.38 0.008 0.366 0.34 -0.545 -0.29191756097561 -0.365988046450613 -0.2351 -0.3751 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 H24 mock treatment -1.459 -1.11 -1.11 -0.921 -0.563 -0.52 -0.99 -0.73691756097561 -0.923901315272869 -1.474 -0.9611 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I01 mock treatment -1.156 -0.811 -0.81 -1.227 -0.869 -0.81 -0.95 -0.69691756097561 -0.873751807963003 -1.4347 -0.9992 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I02 mock treatment -1.002 -0.657 -0.65 -1.658 -1.3 -1.2 -0.922 -0.66891756097561 -0.838647152846097 -1.5564 -0.9691 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I03 compound treatment -0.706 -0.361 -0.36 -0.498 -0.14 -0.13 0.136 0.38908243902439 0.48780731549985 -6.0E-4 -9.0E-4 3615067 CMLD4_000160 CC(C)(C)[Si](C)(C)c1c2Cn3c(cccc3=O)-c2nc4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I04 compound treatment -0.639 -0.294 -0.29 -0.667 -0.309 -0.29 -1.08 -0.82691756097561 -1.03673770672007 -0.9327 -0.8368 3615069 CMLD4_000161 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]2(C)C[C@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I05 compound treatment -0.302 0.0431 0.04 -0.108 0.25 0.23 0.051 0.30408243902439 0.381239612466386 0.3783 0.8446 3615073 CMLD4_000162 CCc1c2Cn3c(cccc3=O)-c2nc4ccc(cc14)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I06 compound treatment -0.295 0.0501 0.05 -0.839 -0.481 -0.45 -0.409 -0.15591756097561 -0.19547972159707 -0.3415 -0.6979 3615075 CMLD4_000163 CN(C)C(=C)[C@]1(C)C[C@H]1[C@H](NC(=O)CNC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I07 compound treatment 0.343 0.688 0.68 -0.493 -0.135 -0.13 -0.426 -0.17291756097561 -0.216793262203763 0.1974 0.271 3615079 CMLD4_000164 CCc1c2Cn3c(cccc3=O)-c2nc4cccc(C(C)C)c14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I08 compound treatment -0.769 -0.424 -0.42 -0.761 -0.403 -0.37 -0.752 -0.49891756097561 -0.625511746779168 -0.8201 -0.9744 3615081 CMLD4_000165 OC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I09 compound treatment -1.269 -0.924 -0.92 -2.374 -2.02 -1.87 -1.336 -1.08291756097561 -1.35769455350321 -2.3921 -0.9628 3615085 CMLD4_000166 Nc1ccccc1C#Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I10 compound treatment -1.238 -0.893 -0.89 -1.453 -1.1 -1.01 -0.698 -0.44491756097561 -0.557809911910849 -1.4202 -0.9736 3615087 CMLD4_000167 CCOC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc4ccccc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I11 compound treatment -1.62 -1.27 -1.27 -2.053 -1.7 -1.57 -0.805 -0.55191756097561 -0.69195984396474 -2.0376 -0.9553 3615089 CMLD4_000168 COc1ccc(NC(=O)CCCCC#Cc2ccccc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I12 compound treatment -1.45 -1.1 -1.1 -2.593 -2.24 -2.07 -1.056 -0.80291756097561 -1.00664800233415 -2.4104 -0.9451 3615091 CMLD4_000169 CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc4ccccc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I13 compound treatment -0.477 -0.132 -0.13 -0.906 -0.548 -0.51 -0.535 -0.28191756097561 -0.353450669623147 -0.573 -0.906 3615093 CMLD4_000170 O=C(CCCC#C)Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I14 compound treatment 0.983 1.33 1.32 0.549 0.907 0.84 -0.433 -0.17991756097561 -0.225569425982989 1.1167 0.7064 3615094 CMLD4_000171 COC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(cc3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I15 compound treatment -0.586 -0.241 -0.24 -0.579 -0.221 -0.2 -0.353 -0.09991756097561 -0.125270411363258 -0.329 -0.9697 3615095 CMLD4_000172 Cc1c2Cn3c(cccc3=O)-c2nc4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I16 compound treatment -0.535 -0.19 -0.19 -1.002 -0.644 -0.6 -1.018 -0.76491756097561 -0.959005970389775 -1.0072 -0.8795 3615096 CMLD4_000173 CCOC(=O)n1cc(c2cnc(CNC(=O)C(C)(c3ccccc3)c4ccccc4)o2)c5ccccc15 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I17 compound treatment -0.071 0.274 0.27 -0.376 -0.0184 -0.02 -0.013 0.24008243902439 0.301000400770601 0.3213 0.7906 3615097 CMLD4_000174 COc1ccc(CN([C@@H](CO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)c4cccc(NC(=O)C)c4OC)C(=O)CO)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I18 compound treatment 0.05 0.395 0.39 -0.716 -0.358 -0.33 -0.698 -0.44491756097561 -0.557809911910849 -0.2869 -0.3782 3615099 CMLD4_000175 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc3ccccc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I19 compound treatment -1.01 -0.665 -0.66 -0.82 -0.462 -0.43 -0.896 -0.64291756097561 -0.806049973094684 -1.0942 -0.971 3615100 CMLD4_000176 C[C@H](NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I20 compound treatment -0.018 0.327 0.33 -0.342 0.0156 0.01 -0.402 -0.14891756097561 -0.186703557817843 0.0883 0.2353 3615102 CMLD4_000177 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I21 compound treatment -0.332 0.0131 0.01 -0.459 -0.101 -0.09 -0.172 0.08108243902439 0.101656109213885 0.012 0.0863 3615104 CMLD4_000178 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c2ccccc2)c3ccc(cc3)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I22 compound treatment -1.461 -1.12 -1.11 -1.912 -1.55 -1.44 -0.675 -0.42191756097561 -0.528973945207676 -1.7769 -0.9388 3615107 CMLD4_000179 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccc4ccccc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I23 mock treatment -1.074 -0.729 -0.72 -1.007 -0.649 -0.6 -0.392 -0.13891756097561 -0.174166180990377 -0.8661 -0.9044 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 I24 mock treatment -2.211 -1.87 -1.86 -3.118 -2.76 -2.56 -1.294 -1.04091756097561 -1.30503757082785 -3.3002 -0.9657 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J01 mock treatment -0.132 0.213 0.21 0.002 0.36 0.33 -0.103 0.15008243902439 0.188164009323403 0.4232 0.9679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J02 mock treatment -0.754 -0.409 -0.41 -1.327 -0.969 -0.9 -0.775 -0.52191756097561 -0.654347713482341 -1.1307 -0.9559 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J03 compound treatment -0.62 -0.275 -0.27 -0.884 -0.526 -0.49 -0.23 0.02308243902439 0.0289393236145793 -0.4225 -0.7551 3615110 CMLD4_000180 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(OC)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J04 compound treatment -0.75 -0.405 -0.4 -1.611 -1.25 -1.16 -1.396 -1.14291756097561 -1.43291881446801 -1.7298 -0.9165 3615111 CMLD4_000181 O=C(NCC#CC(CCc1ccccc1)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J05 compound treatment -0.128 0.217 0.22 -0.589 -0.231 -0.21 -0.901 -0.64791756097561 -0.812318661508418 -0.4681 -0.5397 3615114 CMLD4_000182 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(cc2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J06 compound treatment 0.169 0.514 0.51 -0.233 0.125 0.12 -0.255 -0.00191756097561002 -0.0024041184540867 0.3603 0.6877 1965280 CMLD4_000183 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J07 compound treatment 0.075 0.42 0.42 -0.027 0.331 0.31 0.033 0.28608243902439 0.358672334176946 0.6249 0.9921 3615115 CMLD4_000184 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccc(Br)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J08 compound treatment -0.763 -0.418 -0.42 -1.005 -0.647 -0.6 -0.487 -0.23391756097561 -0.293271260851308 -0.7553 -0.9608 3615117 CMLD4_000185 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4nc5ccccc5[nH]4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J09 compound treatment -0.643 -0.298 -0.3 -1.179 -0.821 -0.76 -0.508 -0.25491756097561 -0.319599752188987 -0.7946 -0.9066 3615122 CMLD4_000186 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(C#N)cc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J10 compound treatment -1.201 -0.856 -0.85 -1.471 -1.11 -1.03 -0.48 -0.22691756097561 -0.284495097072081 -1.2508 -0.9152 3615124 CMLD4_000187 COC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J11 compound treatment -0.958 -0.613 -0.61 -0.93 -0.572 -0.53 -0.544 -0.29091756097561 -0.364734308767866 -0.8684 -0.98 3615125 CMLD4_000188 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccc(cc2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J12 compound treatment -0.935 -0.59 -0.59 -0.838 -0.48 -0.44 -0.359 -0.10591756097561 -0.132792837459737 -0.6721 -0.8986 3615127 CMLD4_000189 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J13 compound treatment 0.594 0.939 0.93 1.146 1.5 1.3 0.529 0.78208243902439 0.980526224819281 1.8564 0.9886 3615130 CMLD4_000190 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(cc2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J14 compound treatment -0.888 -0.543 -0.54 -1.45 -1.09 -1.01 -0.989 -0.73591756097561 -0.922647577590122 -1.4283 -0.9706 3615131 CMLD4_000191 C[C@H](CO)NC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J15 compound treatment -0.932 -0.587 -0.58 -1.305 -0.947 -0.88 -1.117 -0.86391756097561 -1.08312600098169 -1.4687 -0.972 3615134 CMLD4_000192 CCOC(=O)C1=C(C)N(CCCC(=O)NCc2ccc3OCOc3c2)C(=O)NC1c4ccc(Br)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J16 compound treatment -0.574 -0.229 -0.23 -0.503 -0.145 -0.13 -0.542 -0.28891756097561 -0.362226833402373 -0.4183 -0.9326 3615135 CMLD4_000193 CS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J17 compound treatment -0.045 0.3 0.3 -0.614 -0.256 -0.24 -0.457 -0.20391756097561 -0.255659130368908 -0.1124 -0.2449 3615140 CMLD4_000194 CCOC(=O)C1=C(C)N(CCCC(=O)NCCn2c(C)c(cc2c3ccccc3)C(=O)OC(C)(C)C)C(=O)NC1c4ccc(Br)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J18 compound treatment 0.222 0.567 0.56 -0.031 0.327 0.3 -0.063 0.19008243902439 0.238313516633269 0.6377 0.9341 3615142 CMLD4_000195 OC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J19 compound treatment 0.421 0.766 0.76 -0.016 0.342 0.32 -0.041 0.21208243902439 0.265895745653695 0.7758 0.8954 3615143 CMLD4_000196 CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccccc3OS(=O)(=O)c4ccccc4[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J20 compound treatment -0.492 -0.147 -0.15 -0.17 0.188 0.17 0.007 0.26008243902439 0.326075154425534 0.2042 0.514 3615145 CMLD4_000197 O=C(NCCc1c[nH]c2ccccc12)[C@@H]3C[C@H]3[C@@H](NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J21 compound treatment -0.379 -0.0339 -0.03 -0.837 -0.479 -0.44 -0.487 -0.23391756097561 -0.293271260851308 -0.4451 -0.8349 3615147 CMLD4_000198 CCOC(=O)C(=CN(CCc1ccccc1)CC(=O)OC)C(=O)OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J22 compound treatment -0.294 0.0511 0.05 -0.025 0.333 0.31 0.025 0.27808243902439 0.348642432714973 0.4084 0.8728 3615148 CMLD4_000199 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(C)c(F)c4F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J23 mock treatment -1.332 -0.987 -0.98 -1.475 -1.12 -1.03 -0.898 -0.64491756097561 -0.808557448460178 -1.6307 -0.9948 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 J24 mock treatment -1.336 -0.991 -0.99 -1.476 -1.12 -1.04 -0.592 -0.33891756097561 -0.424913717539705 -1.412 -0.9469 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K01 mock treatment -0.831 -0.486 -0.48 -0.401 -0.0434 -0.04 -0.263 -0.00991756097561003 -0.0124340199160598 -0.3093 -0.6378 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K02 mock treatment -0.718 -0.373 -0.37 -1.226 -0.868 -0.8 -0.173 0.08008243902439 0.100402371531138 -0.6203 -0.6961 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K03 compound treatment -0.154 0.191 0.19 0.016 0.374 0.35 0.045 0.29808243902439 0.373717186369906 0.5252 0.9662 3615149 CMLD4_000200 CC(C)(C)[Si](C)(C)c1c2Cn3c(cccc3=O)-c2nc4cc5OCCOc5cc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K04 compound treatment -0.194 0.151 0.15 0.027 0.385 0.36 -0.255 -0.00191756097561002 -0.0024041184540867 0.2909 0.7527 3615150 CMLD4_000201 CNC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)[C@]2(C)C[C@H]2[C@H](NC(=O)[C@]3(C)C[C@H]3[C@H](NC(=O)[C@]4(C)C[C@H]4[C@H](NC(=O)OCc5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8)c9ccccc9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K05 compound treatment -0.499 -0.154 -0.15 -0.603 -0.245 -0.23 -0.498 -0.24491756097561 -0.307062375361521 -0.3968 -0.9643 3615154 CMLD4_000202 CSc1ccc2nc-3c(Cn4c3cccc4=O)c(c2c1)[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K06 compound treatment -0.367 -0.0219 -0.02 -0.262 0.0956 0.09 -0.494 -0.24091756097561 -0.302047424630534 -0.1359 -0.4306 3615155 CMLD4_000203 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]2(C)C[C@@H]2[C@@H](NC(=O)OCc3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K07 compound treatment -0.272 0.0731 0.07 -0.457 -0.0994 -0.09 -0.453 -0.19991756097561 -0.250644179637922 -0.1559 -0.5634 3615156 CMLD4_000204 CC(C)c1cccc2nc-3c(Cn4c3cccc4=O)c(c12)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K08 compound treatment -0.405 -0.0599 -0.06 -0.12 0.238 0.22 -0.411 -0.15791756097561 -0.197987196962563 -0.0217 -0.0718 3615157 CMLD4_000205 CCCC/C(=C/[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K09 compound treatment -0.592 -0.247 -0.25 -0.793 -0.435 -0.4 -0.768 -0.51491756097561 -0.645571549703114 -0.7472 -0.9343 3615159 CMLD4_000206 Nc1ccccc1C#CCCCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K10 compound treatment -1.467 -1.12 -1.12 -1.13 -0.772 -0.72 -0.626 -0.37291756097561 -0.467540798753091 -1.3268 -0.9443 3615160 CMLD4_000207 COC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K11 compound treatment -2.351 -2.01 -1.99 -1.381 -1.02 -0.95 -1.149 -0.89591756097561 -1.12324560682958 -2.347 -0.9474 3615163 CMLD4_000208 Ic1ccccc1CC(=O)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K12 compound treatment -1.158 -0.813 -0.81 -0.663 -0.305 -0.28 -0.78 -0.52691756097561 -0.660616401896074 -1.0113 -0.9351 3615164 CMLD4_000209 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K13 compound treatment -0.938 -0.593 -0.59 -0.234 0.124 0.11 -0.001 0.25208243902439 0.31604525296356 -0.0918 -0.1353 3615166 CMLD4_000210 S=C(CCCC#C)Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K14 compound treatment -0.325 0.0201 0.02 -0.685 -0.327 -0.3 0.419 0.67208243902439 0.84261507971715 0.323 0.3606 3615167 CMLD4_000211 CCOC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(Br)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K15 compound treatment -0.119 0.226 0.22 -0.113 0.245 0.23 0.153 0.40608243902439 0.509120856106543 0.5545 0.9228 3615169 CMLD4_000212 COc1ccc2nc-3c(Cc4ccccc43)cc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K16 compound treatment -0.583 -0.238 -0.24 -0.724 -0.366 -0.34 -0.608 -0.35491756097561 -0.444973520463651 -0.5893 -0.9701 3615171 CMLD4_000213 NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K17 compound treatment -0.236 0.109 0.11 -0.633 -0.275 -0.25 -0.52 -0.26691756097561 -0.334644604381947 -0.2778 -0.6395 3615174 CMLD4_000214 COc1ccc(/C=C/C(=O)NCC#C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K18 compound treatment -0.407 -0.0619 -0.06 -0.619 -0.261 -0.24 -0.646 -0.39291756097561 -0.492615552408024 -0.4597 -0.8323 3615177 CMLD4_000215 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(cc2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K19 compound treatment -0.965 -0.62 -0.62 -1.48 -1.12 -1.04 -1.058 -0.80491756097561 -1.00915547769964 -1.5385 -0.9773 3615179 CMLD4_000216 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2C[C@H]2[C@@H](NC(=O)OCc3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K20 compound treatment -1.487 -1.14 -1.14 -0.697 -0.339 -0.31 -0.324 -0.07091756097561 -0.088912018563605 -0.8882 -0.7519 3615184 CMLD4_000217 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(Br)cc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K21 compound treatment 0.566 0.911 0.91 0.301 0.659 0.61 0.455 0.70808243902439 0.887749636296029 1.3876 0.986 3615186 CMLD4_000218 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)Oc2ccccc2)c3ccc(cc3)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K22 compound treatment -1.185 -0.84 -0.84 -0.941 -0.583 -0.54 -0.562 -0.30891756097561 -0.387301587057306 -1.0176 -0.9534 3615190 CMLD4_000219 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2OC(=O)c3cccs3)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K23 mock treatment -2.08 -1.73 -1.72 0.776 1.13 1.05 -0.918 -0.66491756097561 -0.833632202115111 -0.8711 -0.3988 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 K24 mock treatment -1.781 -1.44 -1.43 -0.917 -0.559 -0.52 -1.077 -0.82391756097561 -1.03297649367183 -1.7196 -0.9363 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L01 mock treatment -0.644 -0.299 -0.3 -0.517 -0.159 -0.15 0.378 0.63108243902439 0.791211834724538 0.2 0.2331 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L02 mock treatment -0.807 -0.462 -0.46 -0.737 -0.379 -0.35 0.604 0.85708243902439 1.07455655102528 0.1524 0.1249 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L03 compound treatment -0.9 -0.555 -0.55 -0.678 -0.32 -0.3 -0.75 -0.49691756097561 -0.623004271413675 -0.8495 -0.9615 3615192 CMLD4_000220 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L04 compound treatment -0.769 -0.424 -0.42 -1.078 -0.72 -0.67 -0.744 -0.49091756097561 -0.615481845317195 -0.9838 -0.9831 3615193 CMLD4_000221 OC(C#CCNC(=O)CCc1ccccc1)c2ccc(Br)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L05 compound treatment -0.531 -0.186 -0.18 -0.325 0.0326 0.03 -0.176 0.07708243902439 0.0966411584828981 -0.0335 -0.1589 3615195 CMLD4_000222 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L06 compound treatment -0.801 -0.456 -0.45 -1.278 -0.92 -0.85 -0.617 -0.36391756097561 -0.456257159608371 -1.0172 -0.9527 3615197 CMLD4_000223 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N6CCCC6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L07 compound treatment -1.231 -0.886 -0.88 -0.933 -0.575 -0.53 -0.796 -0.54291756097561 -0.68067620482002 -1.2091 -0.9798 3615201 CMLD4_000224 CCOC(=O)C1=C(C)N(Cc2ccc(cc2)C(=O)O)C(=O)NC1c3ccc(cc3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L08 compound treatment -0.743 -0.398 -0.4 -0.161 0.197 0.18 -0.684 -0.43091756097561 -0.540257584352396 -0.4352 -0.6272 3615203 CMLD4_000225 O=C(N[C@H]([C@@H]1C[C@H]1C(=O)NCc2ccccc2)c3ccccc3)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L09 compound treatment -0.754 -0.409 -0.41 0.534 0.892 0.83 -0.519 -0.26591756097561 -0.3333908666992 0.0494 0.0505 3615205 CMLD4_000226 COc1cccc(c1)C2NC(=O)N(CCCC(=O)O)C(=C2C(=O)OCc3ccccc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L10 compound treatment 0.513 0.858 0.85 -0.583 -0.225 -0.21 -0.429 -0.17591756097561 -0.220554475252002 0.2447 0.2702 3615207 CMLD4_000227 COCCNC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L11 compound treatment -1.925 -1.58 -1.57 -1.0 -0.642 -0.59 -0.884 -0.63091756097561 -0.791005120901725 -1.707 -0.9194 3615209 CMLD4_000228 CCOC(=O)C1=C(C)N(CCC(=O)O)C(=O)NC1c2ccccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L12 compound treatment -0.972 -0.627 -0.62 -0.798 -0.44 -0.41 -0.399 -0.14591756097561 -0.182942344769603 -0.7009 -0.9139 3615210 CMLD4_000229 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCCc4c[nH]c5ccccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L13 compound treatment -0.384 -0.0389 -0.04 -0.543 -0.185 -0.17 0.923 1.17608243902439 1.47449887182146 0.7298 0.4915 3615214 CMLD4_000230 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc(Cl)cc2Cl)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L14 compound treatment 0.482 0.827 0.82 0.669 1.03 0.95 0.763 1.01608243902439 1.273900842582 1.759 0.9829 3615217 CMLD4_000231 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L15 compound treatment 1.178 1.52 1.4 0.48 0.838 0.78 0.336 0.58908243902439 0.738554852049179 1.6798 0.955 3615218 CMLD4_000232 CCOC(=O)C1=C(C)N(CCCC(=O)N(Cc2ccc3OCOc3c2)C(C(=O)NC(C)(C)C)c4ccc5OCOc5c4)C(=O)NC1c6ccc(Br)cc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L16 compound treatment -0.877 -0.532 -0.53 -0.329 0.0286 0.03 -0.039 0.21408243902439 0.268403221019188 -0.1351 -0.2275 3615220 CMLD4_000233 O=C(NCc1ccccn1)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L17 compound treatment -0.174 0.171 0.17 0.383 0.741 0.69 0.63 0.88308243902439 1.10715373077669 1.1333 0.8629 3615222 CMLD4_000234 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2cccc(c2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L18 compound treatment -0.936 -0.591 -0.59 -0.673 -0.315 -0.29 -0.319 -0.06591756097561 -0.0826433301498718 -0.5555 -0.8401 3615224 CMLD4_000235 CNC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L19 compound treatment -0.976 -0.631 -0.63 -0.925 -0.567 -0.53 -0.774 -0.52091756097561 -0.653093975799594 -1.0425 -0.9958 3615226 CMLD4_000236 CCCCN1C(=C(C(NC1=O)c2cccc(c2)[N+](=O)[O-])C(=O)OCC)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L20 compound treatment -0.905 -0.56 -0.56 -0.368 -0.0104 -0.01 -0.773 -0.51991756097561 -0.651840238116847 -0.7033 -0.8204 3615228 CMLD4_000237 O=C(NCC1CC1)[C@@H]2C[C@H]2[C@@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L21 compound treatment -0.92 -0.575 -0.57 0.174 0.532 0.49 -0.567 -0.31391756097561 -0.393570275471039 -0.273 -0.3209 3615230 CMLD4_000238 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2ccccc2OC(=O)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L22 compound treatment -0.737 -0.392 -0.39 -0.69 -0.332 -0.31 -0.598 -0.34491756097561 -0.432436143636185 -0.6523 -0.9907 3615232 CMLD4_000239 FCCNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L23 mock treatment -2.218 -1.87 -1.86 -1.081 -0.723 -0.67 -0.916 -0.66291756097561 -0.831124726749617 -1.9416 -0.9046 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 L24 mock treatment -1.793 -1.45 -1.44 -0.952 -0.594 -0.55 -0.707 -0.45391756097561 -0.569093551055569 -1.4774 -0.8993 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M01 mock treatment -0.526 -0.181 -0.18 -0.696 -0.338 -0.31 -0.434 -0.18091756097561 -0.226823163665736 -0.4157 -0.9745 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M02 mock treatment -1.405 -1.06 -1.05 -1.173 -0.815 -0.76 -0.821 -0.56791756097561 -0.712019646888686 -1.4554 -0.984 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M03 compound treatment -0.727 -0.382 -0.38 -0.582 -0.224 -0.21 -0.536 -0.28291756097561 -0.354704407305893 -0.544 -0.9721 3615236 CMLD4_000240 CCCCC#Cc1ccccc1NC(=S)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M04 compound treatment -0.858 -0.513 -0.51 -0.835 -0.477 -0.44 -1.026 -0.77291756097561 -0.969035871851748 -1.1091 -0.9392 3615237 CMLD4_000241 C[C@]1(C[C@H]1CCO)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M05 compound treatment -1.193 -0.848 -0.84 -1.24 -0.882 -0.82 -0.731 -0.47791756097561 -0.599183255441488 -1.3044 -0.9896 3615242 CMLD4_000242 Cc1ccc2nc-3c(Cn4c3cccc4=O)c(c2c1)[Si](C)(C)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M06 compound treatment -0.006 0.339 0.34 -0.571 -0.213 -0.2 -0.292 -0.03891756097561 -0.0487924127157124 0.0524 0.133 3615244 CMLD4_000243 COC(=O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M07 compound treatment 0.299 0.644 0.64 -0.243 0.115 0.11 -0.296 -0.04291756097561 -0.053807363446699 0.3999 0.614 3615247 CMLD4_000244 CN(C)c1ccc2nc-3c(Cn4c3cccc4=O)c(c2c1)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M08 compound treatment 0.015 0.36 0.36 -0.395 -0.0374 -0.03 -0.24 0.01308243902439 0.016401946787113 0.1962 0.5449 3615249 CMLD4_000245 C/C(=C\[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)/CO[Si](c4ccccc4)(c5ccccc5)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M09 compound treatment -1.039 -0.694 -0.69 -1.408 -1.05 -0.97 -0.955 -0.70191756097561 -0.880020496376736 -1.4679 -0.9905 3615253 CMLD4_000246 S=C(Nc1ccccc1)Nc2ccccc2C#Cc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M10 compound treatment -1.145 -0.8 -0.8 -1.031 -0.673 -0.62 -0.669 -0.41591756097561 -0.521451519111197 -1.1202 -0.9851 3615255 CMLD4_000247 COC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc(Br)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M11 compound treatment -2.046 -1.7 -1.69 -3.295 -2.94 -2.72 -1.178 -0.92491756097561 -1.15960399962924 -3.2161 -0.9442 3615256 CMLD4_000248 Cc1c2CCOc2nc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M12 compound treatment -1.474 -1.13 -1.12 -2.84 -2.48 -2.3 -0.971 -0.71791756097561 -0.900080299300683 -2.4947 -0.92 3615258 CMLD4_000249 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2cccc(Cl)c2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M13 compound treatment -0.754 -0.409 -0.41 -1.51 -1.15 -1.07 -1.372 -1.11891756097561 -1.40282911008209 -1.6607 -0.9181 3615260 CMLD4_000250 CCc1c2COCc2nc3ccc(OC)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M14 compound treatment -0.207 0.138 0.14 -0.896 -0.538 -0.5 -0.362 -0.10891756097561 -0.136554050507977 -0.2874 -0.5374 1003776 CMLD4_000251 CCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M15 compound treatment -0.873 -0.528 -0.52 -1.206 -0.848 -0.79 -1.01 -0.75691756097561 -0.948976068927802 -1.3045 -0.9741 1037061 CMLD4_000252 OC1c2ccccc2-c3nc4ccccc4cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M16 compound treatment -1.193 -0.848 -0.84 -1.129 -0.771 -0.71 -1.355 -1.10191756097561 -1.38151556947539 -1.6967 -0.9591 3615263 CMLD4_000253 COC(=O)[C@@H]1C[C@]2(OC(=O)c3ccccc3)C=CC(=O)C[C@@H]2N1C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M17 compound treatment -0.827 -0.482 -0.48 -0.532 -0.174 -0.16 -0.574 -0.32091756097561 -0.402346439250266 -0.6021 -0.9319 3615267 CMLD4_000254 CSCC(=O)NS(=O)(=O)c1ccc(C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M18 compound treatment -0.318 0.0271 0.03 -0.446 -0.0884 -0.08 -0.64 -0.38691756097561 -0.485093126311544 -0.3118 -0.6328 3615269 CMLD4_000255 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M19 compound treatment -0.86 -0.515 -0.51 -0.656 -0.298 -0.28 -0.649 -0.39591756097561 -0.496376765456264 -0.7417 -0.9698 3615271 CMLD4_000256 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]2C[C@@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M20 compound treatment -0.975 -0.63 -0.63 -0.83 -0.472 -0.44 -0.826 -0.57291756097561 -0.718288335302419 -1.0288 -0.9812 3615274 CMLD4_000257 CC1=C(C(NC(=O)N1CCCC(=O)O)c2cccs2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M21 compound treatment -1.04 -0.695 -0.69 -0.733 -0.375 -0.35 -0.8 -0.54691756097561 -0.685691155551007 -0.9954 -0.9631 3615276 CMLD4_000258 CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M22 compound treatment -0.969 -0.624 -0.62 -1.27 -0.912 -0.84 -0.916 -0.66291756097561 -0.831124726749617 -1.3257 -0.9911 3615277 CMLD4_000259 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(Cl)cc2Cl)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M23 mock treatment 0.089 0.434 0.43 -1.706 -1.35 -1.25 -0.649 -0.39591756097561 -0.496376765456264 -0.7583 -0.5373 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 M24 mock treatment -1.166 -0.821 -0.82 -2.458 -2.1 -1.94 -0.903 -0.64991756097561 -0.814826136873911 -2.0645 -0.9131 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N01 mock treatment 0.039 0.384 0.38 -0.103 0.255 0.24 0.111 0.36408243902439 0.456463873431184 0.6201 0.9688 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N02 mock treatment -1.093 -0.748 -0.74 -1.331 -0.973 -0.9 -1.133 -0.87991756097561 -1.10318580390564 -1.5866 -0.9873 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N03 compound treatment -1.272 -0.927 -0.92 -1.478 -1.12 -1.04 -1.26 -1.00691756097561 -1.26241048961446 -1.8599 -0.9914 3615279 CMLD4_000260 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N04 compound treatment -0.527 -0.182 -0.18 -0.409 -0.0514 -0.05 -0.599 -0.34591756097561 -0.433689881318932 -0.3823 -0.8094 3615281 CMLD4_000261 O=C(NCC#CCOCc1ccccc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N05 compound treatment -0.267 0.0781 0.08 -1.0 -0.642 -0.59 -1.137 -0.88391756097561 -1.10820075463663 -0.9384 -0.7447 3615282 CMLD4_000262 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(OC)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N06 compound treatment 0.818 1.16 1.16 0.023 0.381 0.35 0.156 0.40908243902439 0.512882069154783 1.1672 0.8889 1965352 CMLD4_000263 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N07 compound treatment -0.247 0.0981 0.1 -0.361 -0.00339 0.0 -0.368 -0.11491756097561 -0.144076476604457 -0.0287 -0.165 3615284 CMLD4_000264 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccccc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N08 compound treatment 0.93 1.28 1.27 1.453 1.81 1.38 0.984 1.23708243902439 1.550976870469 2.4235 0.9965 3615287 CMLD4_000265 O=C(N[C@H]([C@@H]1C[C@H]1C(=O)NCc2ccccn2)c3ccccc3)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N09 compound treatment -0.937 -0.592 -0.59 -0.918 -0.56 -0.52 -0.581 -0.32791756097561 -0.411122603029492 -0.8767 -0.9898 3615291 CMLD4_000266 CC1=C(C(NC(=O)N1CCCC(=O)O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N10 compound treatment -0.633 -0.288 -0.29 -0.368 -0.0104 -0.01 -0.422 -0.16891756097561 -0.211778311472776 -0.2931 -0.8228 3615293 CMLD4_000267 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N11 compound treatment -0.733 -0.388 -0.39 -0.743 -0.385 -0.36 -0.318 -0.06491756097561 -0.0813895924671252 -0.4757 -0.8946 3615296 CMLD4_000268 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc3ccccc3c2)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N12 compound treatment -1.581 -1.24 -1.23 -1.326 -0.968 -0.9 -0.724 -0.47091756097561 -0.590407091662262 -1.568 -0.961 3615298 CMLD4_000269 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCC4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N13 compound treatment -0.67 -0.325 -0.32 -0.875 -0.517 -0.48 -0.607 -0.35391756097561 -0.443719782780905 -0.7193 -0.9873 3615302 CMLD4_000270 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2cccc(c2)[N+](=O)[O-])C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N14 compound treatment -0.853 -0.508 -0.5 -1.133 -0.775 -0.72 -0.648 -0.39491756097561 -0.495123027773517 -0.9919 -0.9843 3615304 CMLD4_000271 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCCc4c[nH]c5ccccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N15 compound treatment -0.225 0.12 0.12 0.143 0.501 0.46 -0.152 0.10108243902439 0.126730862868817 0.4097 0.8274 3615305 CMLD4_000272 CCOC(=O)C1=C(C)N(CCCC(=O)N(Cc2ccc3OCOc3c2)C(C(=O)NC(C)(C)C)c4ccc5OCOc5c4)C(=O)NC1c6ccc(cc6)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N16 compound treatment -0.703 -0.358 -0.36 -0.813 -0.455 -0.42 -0.794 -0.54091756097561 -0.678168729454527 -0.8404 -0.9613 3615307 CMLD4_000273 Cc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N17 compound treatment -0.246 0.0991 0.1 -0.577 -0.219 -0.2 -0.549 -0.29591756097561 -0.3710029971816 -0.2746 -0.6323 3615310 CMLD4_000274 CCOC(=O)c1cn(Cc2ccccc2)c(C(=O)OC(C)(C)C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N18 compound treatment 0.923 1.27 1.26 0.099 0.457 0.42 0.169 0.42208243902439 0.52918065903049 1.2775 0.8926 3615311 CMLD4_000275 O=C(Nc1ccc2ccccc2c1)[C@@H]3C[C@H]3[C@@H](NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N19 compound treatment -0.275 0.0701 0.07 -0.187 0.171 0.16 -0.239 0.01408243902439 0.0176556844698596 0.1416 0.816 3615313 CMLD4_000276 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OC(=O)c3ccc(I)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N20 compound treatment -0.751 -0.406 -0.4 -0.171 0.187 0.17 -0.3 -0.04691756097561 -0.0588223141776856 -0.1672 -0.3775 3615315 CMLD4_000277 Cc1cc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)nn1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N21 compound treatment -0.869 -0.524 -0.52 -0.849 -0.491 -0.46 -0.567 -0.31391756097561 -0.393570275471039 -0.7907 -0.9936 3615317 CMLD4_000278 NCCn1c(cc(C(=O)O)c1c2ccccc2F)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N22 compound treatment -0.826 -0.481 -0.48 -0.563 -0.205 -0.19 -0.377 -0.12391756097561 -0.155360115749177 -0.4755 -0.8847 3615319 CMLD4_000279 COCCNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N23 mock treatment -1.239 -0.894 -0.89 -1.046 -0.688 -0.64 -0.682 -0.42891756097561 -0.537750108986903 -1.1916 -0.9777 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 N24 mock treatment -0.617 -0.272 -0.27 -1.409 -1.05 -0.97 -0.768 -0.51491756097561 -0.645571549703114 -1.0909 -0.9098 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O01 mock treatment -1.304 -0.959 -0.95 0.0 0.358 0.33 -0.059 0.19408243902439 0.243328467364255 -0.2187 -0.2107 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O02 mock treatment 0.489 0.834 0.83 -0.198 0.16 0.15 0.262 0.51508243902439 0.645778263525927 0.9369 0.8828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O03 compound treatment -0.543 -0.198 -0.2 -0.574 -0.216 -0.2 -0.546 -0.29291756097561 -0.36724178413336 -0.4413 -0.9546 3615322 CMLD4_000280 CCc1cccc2nc-3c(Cn4c3cccc4=O)c(c12)[Si](CC)(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O04 compound treatment 0.255 0.6 0.6 -0.095 0.263 0.24 -0.014 0.23908243902439 0.299746663087854 0.6579 0.9259 3615323 CMLD4_000281 CC(C)(C)[Si](OCC[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O05 compound treatment -0.144 0.201 0.2 -1.145 -0.787 -0.73 -0.434 -0.18091756097561 -0.226823163665736 -0.4365 -0.553 3615327 CMLD4_000282 CC(C)(C)[Si](C)(C)c1c2Cn3c(cccc3=O)-c2nc4ccc(O)cc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O06 compound treatment -0.657 -0.312 -0.31 -0.47 -0.112 -0.1 -0.964 -0.71091756097561 -0.891304135521456 -0.7537 -0.7939 3615329 CMLD4_000283 CC(C)NC(=O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O07 compound treatment -0.924 -0.579 -0.58 -0.813 -0.455 -0.42 -0.414 -0.16091756097561 -0.201748410010803 -0.6922 -0.9336 3615332 CMLD4_000284 CCc1c2CC(C)Oc2nc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O08 compound treatment -1.052 -0.707 -0.7 -0.989 -0.631 -0.58 -0.216 0.03708243902439 0.0464916511730324 -0.7165 -0.7827 3615334 CMLD4_000285 CNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)CNC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O09 compound treatment -0.323 0.0221 0.02 -0.156 0.202 0.19 -0.082 0.17108243902439 0.214492500661082 0.2443 0.8565 3615338 CMLD4_000286 c1ccc(cc1)c2c3c4ccccc4[nH]c3nc5ccccc25 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O10 compound treatment -0.581 -0.236 -0.23 -0.791 -0.433 -0.4 -0.472 -0.21891756097561 -0.274465195610108 -0.5256 -0.9736 3615340 CMLD4_000287 COC(=O)C1=C(COc2ccccc2)NC(=O)NC1c3ccc4ccccc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O11 compound treatment -0.827 -0.482 -0.48 -0.616 -0.258 -0.24 -0.358 -0.10491756097561 -0.131539099776991 -0.4907 -0.8898 3615342 CMLD4_000288 C[Si](C)(C)C#Cc1ccccc1NC(=S)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O12 compound treatment -0.506 -0.161 -0.16 -0.622 -0.264 -0.24 -0.446 -0.19291756097561 -0.241868015858695 -0.3734 -0.9838 3615344 CMLD4_000289 CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O13 compound treatment -0.452 -0.107 -0.11 -0.508 -0.15 -0.14 -0.341 -0.08791756097561 -0.110225559170298 -0.2054 -0.9924 3615346 CMLD4_000290 CCc1c2COCc2nc3cccc(SC)c13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O14 compound treatment 0.463 0.808 0.8 -0.332 0.0256 0.02 -0.231 0.02208243902439 0.0276855859318327 0.4935 0.6137 3615347 CMLD4_000291 CCOC(=O)C1=C(CCc2ccccc2)NC(=O)NC1c3ccc(C#N)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O15 compound treatment -0.365 -0.0199 -0.02 -0.265 0.0926 0.09 0.375 0.62808243902439 0.787450621676298 0.4927 0.6218 1067287 CMLD4_000292 C1c2ccccc2-c3nc4ccccc4cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O16 compound treatment -0.654 -0.309 -0.31 -0.878 -0.52 -0.48 -0.805 -0.55191756097561 -0.69195984396474 -0.855 -0.9528 3615350 CMLD4_000293 COC(=O)[C@@H]1C=C2CCC(=O)C[C@H]2N1C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O17 compound treatment -0.006 0.339 0.34 -0.282 0.0756 0.07 -0.312 -0.05891756097561 -0.0738671663706453 0.1924 0.5464 3615354 CMLD4_000294 CCCC/C=C/[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O18 compound treatment -0.798 -0.453 -0.45 -0.542 -0.184 -0.17 -1.32 -1.06691756097561 -1.33763475057926 -1.1308 -0.7954 3615358 CMLD4_000295 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2cccc(OC)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O19 compound treatment -1.128 -0.783 -0.78 -1.266 -0.908 -0.84 -1.098 -0.84491756097561 -1.05930498500951 -1.5466 -0.991 3615361 CMLD4_000296 CN(C)C(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@]3(C)C[C@H]3[C@H](NC(=O)OCc4ccccc4)c5ccccc5)c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O20 compound treatment -1.028 -0.683 -0.68 -0.916 -0.558 -0.52 -0.249 0.00408243902438998 0.00511830764239316 -0.6875 -0.8056 3615364 CMLD4_000297 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2OS(=O)(=O)c3ccc(C)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O21 compound treatment 0.183 0.528 0.52 0.295 0.653 0.6 0.28 0.53308243902439 0.668345541815367 1.0379 0.9952 3615366 CMLD4_000298 CC/C(=C\C1CCCCC1)/C(NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O22 compound treatment -1.376 -1.03 -1.02 -1.739 -1.38 -1.28 -1.061 -0.80791756097561 -1.01291669074788 -1.915 -0.9939 3615369 CMLD4_000299 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc(Cl)cc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O23 mock treatment -1.735 -1.39 -1.38 -1.176 -0.818 -0.76 -0.897 -0.64391756097561 -0.807303710777431 -1.7014 -0.9609 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 O24 mock treatment -1.348 -1.0 -1.0 -0.454 -0.0964 -0.09 -0.727 -0.47391756097561 -0.594168304710502 -0.9702 -0.8335 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P01 mock treatment -0.688 -0.343 -0.34 -0.362 -0.00439 0.0 -0.262 -0.00891756097561003 -0.0111802822333132 -0.2056 -0.6028 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P02 mock treatment -0.373 -0.0279 -0.03 0.251 0.609 0.56 -0.137 0.11608243902439 0.145536928110017 0.3934 0.6751 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P03 compound treatment 1.15 1.5 1.39 0.931 1.29 1.19 0.557 0.81008243902439 1.01563087993619 2.0759 0.9921 3615371 CMLD4_000300 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P04 compound treatment -0.841 -0.496 -0.49 -0.657 -0.299 -0.28 -0.373 -0.11991756097561 -0.15034516501819 -0.5315 -0.9081 3615373 CMLD4_000301 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P05 compound treatment -0.544 -0.199 -0.2 -0.245 0.113 0.1 -0.166 0.08708243902439 0.109178535310364 0.0091 0.0364 3615374 CMLD4_000302 COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P06 compound treatment -0.644 -0.299 -0.3 -0.373 -0.0154 -0.01 -0.397 -0.14391756097561 -0.18043486940411 -0.284 -0.8161 3615376 CMLD4_000303 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCn7cc(nc7C)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P07 compound treatment -1.202 -0.857 -0.85 -0.862 -0.504 -0.47 -0.717 -0.46391756097561 -0.581630927883035 -1.0973 -0.9691 3615379 CMLD4_000304 CC1=C(C(NC(=O)N1CCCC(=O)O)c2cccc3ccccc23)C(=O)OCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P08 compound treatment -1.095 -0.75 -0.75 -0.621 -0.263 -0.24 -0.428 -0.17491756097561 -0.219300737569256 -0.6979 -0.8568 3615381 CMLD4_000305 OC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P09 compound treatment -0.663 -0.318 -0.32 -0.264 0.0936 0.09 -0.322 -0.06891756097561 -0.0864045431981117 -0.1823 -0.5379 3615385 CMLD4_000306 COc1ccc(cc1)C2NC(=O)N(CCCC(=O)O)C(=C2C(=O)OCc3ccccc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P10 compound treatment -0.899 -0.554 -0.55 -0.52 -0.162 -0.15 -0.502 -0.24891756097561 -0.312077326092507 -0.5849 -0.8991 3615387 CMLD4_000307 CNC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P11 compound treatment -2.13 -1.78 -1.77 -1.147 -0.789 -0.73 -0.973 -0.71991756097561 -0.902587774666176 -1.9676 -0.9278 3615389 CMLD4_000308 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc(Br)cc2)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P12 compound treatment -1.42 -1.07 -1.07 -0.62 -0.262 -0.24 -0.36 -0.10691756097561 -0.134046575142484 -0.8347 -0.756 3615392 CMLD4_000309 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4cc(C)n(C)n4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P13 compound treatment 0.165 0.51 0.51 -0.372 -0.0144 -0.01 -0.062 0.19108243902439 0.239567254316015 0.4234 0.7547 3615395 CMLD4_000310 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccc(cc2)C(F)(F)F)C(=O)OCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P14 compound treatment -0.537 -0.192 -0.19 -0.193 0.165 0.15 -0.424 -0.17091756097561 -0.214285786838269 -0.1459 -0.449 3615397 CMLD4_000311 C[C@H](CO)NC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P15 compound treatment -0.372 -0.0269 -0.03 0.004 0.362 0.33 -0.323 -0.06991756097561 -0.0876582808808584 0.1272 0.3665 3615399 CMLD4_000312 COC(=O)c1cc(c2ccccc2)n(CCN)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P16 mock treatment -0.772 -0.427 -0.42 -0.58 -0.222 -0.21 -0.148 0.10508243902439 0.131745813599804 -0.2879 -0.5877 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P17 compound treatment -0.432 -0.0869 -0.09 -0.444 -0.0864 -0.08 -0.355 -0.10191756097561 -0.127777886728751 -0.1699 -0.9775 3615400 CMLD4_000313 CC1=C(C(NC(=O)N1CCCC(=O)O)c2cccc(c2)[N+](=O)[O-])C(=O)OCC(Br)(Br)Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P18 compound treatment -0.994 -0.649 -0.65 -0.76 -0.402 -0.37 -0.501 -0.24791756097561 -0.310823588409761 -0.767 -0.9502 3615403 CMLD4_000314 CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P19 compound treatment -0.996 -0.651 -0.65 -0.966 -0.608 -0.56 -0.649 -0.39591756097561 -0.496376765456264 -0.9855 -0.9942 3615404 CMLD4_000315 CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c2ccc(cc2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P20 compound treatment -0.978 -0.633 -0.63 -0.431 -0.0734 -0.07 -0.082 0.17108243902439 0.214492500661082 -0.2787 -0.417 3615405 CMLD4_000316 C[C@H]([C@H]1C[C@]1(C)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCCF 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P21 compound treatment -0.534 -0.189 -0.19 -0.418 -0.0604 -0.06 -0.164 0.08908243902439 0.111686010675858 -0.0762 -0.338 3615409 CMLD4_000317 CC(C)(C)NC(=O)C(N(CCN1CCOCC1)C(=O)CCCNC(=O)c2ccccc2)c3ccc(I)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P22 compound treatment -0.608 -0.263 -0.26 -0.47 -0.112 -0.1 -0.436 -0.18291756097561 -0.229330639031229 -0.3434 -0.9461 3615411 CMLD4_000318 Cc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c3ccccc3)c4ccccc4)c5ccccc5)c(F)c1F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P23 mock treatment -1.266 -0.921 -0.92 -0.541 -0.183 -0.17 -0.413 -0.15991756097561 -0.200494672328056 -0.7424 -0.7794 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2288 P24 mock treatment -1.444 -1.1 -1.09 -0.159 0.199 0.18 -0.416 -0.16291756097561 -0.204255885376296 -0.6425 -0.5703 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A01 compound treatment -0.397 -0.0519 -0.05 -1.536 -1.18 -1.09 -0.804 -0.55091756097561 -0.690706106281993 -1.0586 -0.8191 1001670 ACon1_000001 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A02 compound treatment -0.196 0.149 0.15 -2.106 -1.75 -1.62 -1.001 -0.74791756097561 -0.937692429783082 -1.3905 -0.7409 1023904 ACon1_000002 Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A03 compound treatment -0.802 -0.457 -0.45 -2.07 -1.71 -1.59 -1.454 -1.20091756097561 -1.50563560006731 -2.047 -0.9166 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A04 compound treatment 0.323 0.668 0.66 -0.049 0.309 0.29 0.131 0.38408243902439 0.481538627086117 0.8265 0.9514 1039 ACon1_000004 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A05 compound treatment -0.816 -0.471 -0.47 -0.665 -0.307 -0.28 -0.245 0.00808243902438999 0.0101332583733797 -0.4288 -0.7824 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A06 compound treatment 1.305 1.65 1.43 0.837 1.19 1.11 1.216 1.46908243902439 1.66945240063448 2.4292 0.9867 3551992 ACon1_000006 C/C/1=C\CCC2=CC(C\C(=C\C3OC(=O)C(=C)C3CC1)\C)OC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A07 compound treatment -0.356 -0.0109 -0.01 0.009 0.367 0.34 0.066 0.31908243902439 0.400045677707585 0.4207 0.8016 3189572 ACon1_000007 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A08 compound treatment -0.051 0.294 0.29 0.095 0.453 0.42 -0.093 0.16008243902439 0.200701386150869 0.5266 0.9593 1116885 ACon1_000008 CCC(C)C1NC(=O)C(=C1O)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A09 compound treatment -1.559 -1.21 -1.21 -1.273 -0.915 -0.85 -1.01 -0.75691756097561 -0.948976068927802 -1.734 -0.9888 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A10 compound treatment -1.369 -1.02 -1.02 -1.101 -0.743 -0.69 -1.045 -0.79191756097561 -0.992856887823934 -1.5584 -0.9864 3559847 ACon1_000010 OC[C@H]1O[C@@H](OCCC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A11 compound treatment -1.565 -1.22 -1.21 -2.176 -1.82 -1.68 -0.828 -0.57491756097561 -0.720795810667913 -2.0885 -0.9507 3559600 ACon1_000011 COc1ccc2oc(c(O)c(=O)c2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A12 compound treatment -0.533 -0.188 -0.19 -0.764 -0.406 -0.38 -0.177 0.07608243902439 0.0953874208001514 -0.2701 -0.6268 3557478 ACon1_000012 CC(=CCc1c(O)ccc2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A13 mock treatment -0.304 0.0411 0.04 -1.193 -0.835 -0.77 -0.685 -0.43191756097561 -0.541511322035143 -0.7357 -0.7784 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A14 mock treatment -0.449 -0.104 -0.1 -0.803 -0.445 -0.41 -0.674 -0.42091756097561 -0.52772020752493 -0.6024 -0.889 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A15 compound treatment -0.421 -0.0759 -0.08 -1.101 -0.743 -0.69 -0.534 -0.28091756097561 -0.3521969319404 -0.6443 -0.8294 1138815 ACon1_000013 COc1cccc2OC(CC(=O)c12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A16 compound treatment -0.427 -0.0819 -0.08 -0.337 0.0206 0.02 -0.49 -0.23691756097561 -0.297032473899548 -0.2075 -0.6724 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A17 compound treatment -0.915 -0.57 -0.57 -0.789 -0.431 -0.4 -0.843 -0.58991756097561 -0.739601875909112 -0.9848 -0.9714 1527185 ACon1_000015 COc1ccccc1c2cc(=O)c3ccccc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A18 compound treatment 0.003 0.348 0.35 0.057 0.415 0.38 -0.178 0.07508243902439 0.0941336831174048 0.4758 0.9057 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A19 compound treatment -1.232 -0.887 -0.88 -0.658 -0.3 -0.28 -0.676 -0.42291756097561 -0.530227682890423 -0.9758 -0.9155 3559667 ACon1_000017 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@H]31)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A20 compound treatment -0.804 -0.459 -0.46 -0.617 -0.259 -0.24 -0.516 -0.26291756097561 -0.32962965365096 -0.5924 -0.968 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A21 compound treatment -0.97 -0.625 -0.62 -1.315 -0.957 -0.89 -0.643 -0.38991756097561 -0.488854339359784 -1.1528 -0.9705 1530 ACon1_000019 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A22 compound treatment -1.121 -0.776 -0.77 -1.047 -0.689 -0.64 -0.626 -0.37291756097561 -0.467540798753091 -1.0839 -0.9808 3559224 ACon1_000020 CC(=O)c1ccc2OC(Cc2c1)C(=C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A23 compound treatment -0.729 -0.384 -0.38 -0.684 -0.326 -0.3 0.009 0.26208243902439 0.328582629791027 -0.2052 -0.3493 3554786 ACon1_000021 COc1cc(/C=C/2\Oc3cc(O)ccc3C2=O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 A24 compound treatment -0.697 -0.352 -0.35 -0.906 -0.548 -0.51 -0.602 -0.34891756097561 -0.437451094367172 -0.7477 -0.989 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B01 compound treatment 0.812 1.16 1.15 0.659 1.02 0.94 0.573 0.82608243902439 1.03569068286013 1.8056 0.9967 3557968 ACon1_000023 CC(=CCc1c(O)c(CC=C(C)C)c2occ(c3ccc(O)cc3)c(=O)c2c1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B02 compound treatment 8.654 9.0 2.0 14.343 14.7 1.96 4.97 5.22308243902439 2.31340376817427 3.6227 0.9972 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B03 compound treatment -0.593 -0.248 -0.25 -0.5 -0.142 -0.13 -0.567 -0.31391756097561 -0.393570275471039 -0.4457 -0.9232 3552206 ACon1_000025 C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B04 compound treatment -0.682 -0.337 -0.33 -1.41 -1.05 -0.97 -1.032 -0.77891756097561 -0.976558297948228 -1.3198 -0.9297 3554785 ACon1_000026 COc1c2occ(COC(=O)C)c2c(C=O)c3c(C)cccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B05 compound treatment -0.137 0.208 0.21 -0.921 -0.563 -0.52 -1.034 -0.78091756097561 -0.979065773313721 -0.747 -0.662 3557493 ACon1_000027 CC1(C)CCCC2(C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B06 compound treatment 0.241 0.586 0.58 0.421 0.779 0.72 0.533 0.78608243902439 0.985541175550267 1.3216 0.9768 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B07 compound treatment -0.312 0.0331 0.03 -0.491 -0.133 -0.12 -0.112 0.14108243902439 0.176880370178683 0.0498 0.2282 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B08 compound treatment -0.076 0.269 0.27 0.02 0.378 0.35 0.212 0.46508243902439 0.583091379388595 0.693 0.9485 3557557 ACon1_000030 C/C(=C/CC\C(=C\CC\C(=C\CC/C(=C\CO)/CO)\C)\C)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B09 compound treatment -0.408 -0.0629 -0.06 -0.176 0.182 0.17 -0.26 -0.00691756097561003 -0.00867280686781992 0.056 0.3115 3554854 ACon1_000031 COc1cc(C)cc(C(=O)O)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B10 compound treatment -1.119 -0.774 -0.77 -1.486 -1.13 -1.04 -0.519 -0.26591756097561 -0.3333908666992 -1.2399 -0.9255 3553850 ACon1_000032 CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B11 compound treatment 0.821 1.17 1.16 0.377 0.735 0.68 0.348 0.60108243902439 0.753599704242139 1.4971 0.9716 2060482 ACon1_000033 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B12 compound treatment -0.483 -0.138 -0.14 -0.755 -0.397 -0.37 -0.477 -0.22391756097561 -0.280733884023841 -0.4537 -0.9399 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B13 mock treatment -0.579 -0.234 -0.23 -0.529 -0.171 -0.16 -0.324 -0.07091756097561 -0.088912018563605 -0.2772 -0.9389 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B14 mock treatment 5.007 5.35 1.87 11.526 11.9 1.92 4.597 4.85008243902439 2.28388789802101 3.507 0.9959 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B15 compound treatment 2.291 2.64 1.63 2.61 2.97 1.56 1.528 1.78108243902439 1.78476182638089 2.8748 0.9985 3559345 ACon1_000035 CC(=CCc1cc(cc(O)c1O)c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B16 compound treatment -0.618 -0.273 -0.27 -1.168 -0.81 -0.75 -0.89 -0.63691756097561 -0.798527546998205 -1.0509 -0.931 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B17 compound treatment -0.327 0.0181 0.02 -0.765 -0.407 -0.38 -0.715 -0.46191756097561 -0.579123452517542 -0.5418 -0.7836 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B18 compound treatment -0.015 0.33 0.33 0.035 0.393 0.36 -0.306 -0.05291756097561 -0.0663447402741654 0.361 0.7305 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B19 compound treatment -0.423 -0.0779 -0.08 -0.322 0.0356 0.03 -0.133 0.12008243902439 0.150551878841004 0.0612 0.3549 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B20 compound treatment -0.605 -0.26 -0.26 -0.851 -0.493 -0.46 -0.36 -0.10691756097561 -0.134046575142484 -0.4904 -0.9052 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B21 compound treatment -0.509 -0.164 -0.16 -0.16 0.198 0.18 -0.217 0.03608243902439 0.0452379134902857 0.0377 0.1512 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B22 compound treatment -0.575 -0.23 -0.23 -0.782 -0.424 -0.39 -0.314 -0.06091756097561 -0.0763746417361386 -0.4029 -0.8741 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B23 compound treatment -0.579 -0.234 -0.23 0.06 0.418 0.39 -0.155 0.09808243902439 0.122969649820578 0.16 0.3421 3559546 ACon1_000043 CC12CCC=C(CO)C2CC3C(C1)OC(=O)C3=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 B24 compound treatment -0.957 -0.612 -0.61 -0.872 -0.514 -0.48 -0.37 -0.11691756097561 -0.146583951969951 -0.7109 -0.9039 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C01 compound treatment 3.394 3.74 1.76 7.416 7.77 1.84 3.626 3.87908243902439 2.18877584109779 3.3374 0.9953 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C02 compound treatment 16.925 17.3 2.13 20.455 20.8 2.01 -0.27 -0.01691756097561 -0.0212101836952864 2.3814 0.812 3559748 ACon1_000046 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C03 compound treatment -0.09 0.255 0.25 0.178 0.536 0.5 0.183 0.43608243902439 0.546732986588943 0.7484 0.9589 831758 ACon1_000047 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C04 compound treatment -0.702 -0.357 -0.35 -1.293 -0.935 -0.87 -0.369 -0.11591756097561 -0.145330214287204 -0.7888 -0.8328 1054577 ACon1_000048 COc1cc(cc(OC)c1OC)c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C05 compound treatment -0.045 0.3 0.3 -0.425 -0.0674 -0.06 -0.826 -0.57291756097561 -0.718288335302419 -0.2785 -0.3569 3558524 ACon1_000049 COc1c(O)c2c(=O)c(O)c(oc2c(OC)c1OC)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C06 compound treatment -0.726 -0.381 -0.38 -0.471 -0.113 -0.1 -0.587 -0.33391756097561 -0.418645029125972 -0.521 -0.9073 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C07 compound treatment -0.94 -0.595 -0.59 -1.354 -0.996 -0.92 -1.139 -0.88591756097561 -1.11070823000212 -1.5154 -0.9712 3559455 ACon1_000051 COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C08 compound treatment -0.45 -0.105 -0.1 -0.673 -0.315 -0.29 -0.505 -0.25191756097561 -0.315838539140747 -0.4112 -0.929 3559354 ACon1_000052 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C09 compound treatment -0.792 -0.447 -0.44 -0.453 -0.0954 -0.09 -0.173 0.08008243902439 0.100402371531138 -0.2496 -0.5378 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C10 compound treatment -0.369 -0.0239 -0.02 -0.259 0.0986 0.09 -0.52 -0.26691756097561 -0.334644604381947 -0.1542 -0.4436 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C11 mock treatment -1.715 -1.37 -1.36 -0.934 -0.576 -0.53 -0.708 -0.45491756097561 -0.570347288738316 -1.4237 -0.9068 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C12 mock treatment -0.08 0.265 0.26 0.129 0.487 0.45 -0.09 0.16308243902439 0.204462599199109 0.5303 0.946 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C13 compound treatment 0.172 0.517 0.51 1.426 1.78 1.37 1.379 1.63208243902439 1.73305179830611 2.09 0.9207 1016235 ACon1_000055 O=c1cc(oc2ccccc12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C14 compound treatment -0.606 -0.261 -0.26 -0.25 0.108 0.1 -0.328 -0.07491756097561 -0.0939269692945916 -0.1465 -0.4993 3553953 ACon1_000056 CC12CC3(CC2C1CC34)CC(O)C5C(CO)(CO)CC(=O)CC45C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C15 mock treatment -0.293 0.0521 0.05 -0.055 0.303 0.28 0.033 0.28608243902439 0.358672334176946 0.3987 0.8705 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C16 mock treatment 0.195 0.54 0.54 -0.193 0.165 0.15 -0.158 0.09508243902439 0.119208436772338 0.4668 0.8179 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C17 compound treatment -0.166 0.179 0.18 0.357 0.715 0.66 0.299 0.55208243902439 0.692166557787553 0.8844 0.9081 1134 ACon1_000057 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C18 compound treatment -0.172 0.173 0.17 -0.307 0.0506 0.05 -0.49 -0.23691756097561 -0.297032473899548 -0.0451 -0.1302 3557809 ACon1_000058 COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C19 compound treatment -1.257 -0.912 -0.91 -1.734 -1.38 -1.27 -1.591 -1.33791756097561 -1.6773976626036 -2.2277 -0.9713 3559685 ACon1_000059 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C20 compound treatment -0.435 -0.0899 -0.09 -0.72 -0.362 -0.34 -0.186 0.06708243902439 0.0841037816554316 -0.1968 -0.5508 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C21 compound treatment -0.105 0.24 0.24 -0.229 0.129 0.12 0.133 0.38608243902439 0.484046102451611 0.486 0.8794 297849 ACon1_000061 COc1ccc2c(c1)[nH]c3c(C)nccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C22 compound treatment 0.691 1.04 1.03 0.398 0.756 0.7 0.287 0.54008243902439 0.677121705594593 1.3896 0.9804 3559835 ACon1_000062 COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C23 compound treatment -1.79 -1.44 -1.44 -1.19 -0.832 -0.77 -1.198 -0.94491756097561 -1.18467875328417 -1.9583 -0.9718 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 C24 compound treatment 0.193 0.538 0.53 1.039 1.4 1.27 0.58 0.83308243902439 1.04446684663936 1.6448 0.9514 3557563 ACon1_000064 CC(=CC(O)C/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D01 compound treatment -2.345 -2.0 -1.99 -0.922 -0.564 -0.52 -0.657 -0.40391756097561 -0.506406666918237 -1.742 -0.8228 4614 ACon1_000065 CCCCCCC/C=C\[C@H](O)C#CC#C[C@@H](O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D02 compound treatment 1.773 2.12 1.54 2.141 2.5 1.5 1.606 1.85908243902439 1.80973188691424 2.8028 0.9965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D03 compound treatment -0.168 0.177 0.18 0.278 0.636 0.59 0.007 0.26008243902439 0.326075154425534 0.6297 0.9054 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D04 compound treatment -1.264 -0.919 -0.91 -0.96 -0.602 -0.56 -0.697 -0.44391756097561 -0.556556174228103 -1.1708 -0.9705 3559638 ACon1_000068 CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D05 compound treatment 0.277 0.622 0.62 0.192 0.55 0.51 0.506 0.75908243902439 0.951690258116108 1.2003 0.965 3555862 ACon1_000069 OC(=O)CCCCCCC/C=C/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D06 compound treatment -0.842 -0.497 -0.49 -0.863 -0.505 -0.47 -0.788 -0.53491756097561 -0.670646303358047 -0.9426 -0.9866 3559157 ACon1_000070 COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D07 compound treatment 0.132 0.477 0.47 0.507 0.865 0.8 0.231 0.48408243902439 0.606912395360781 1.0864 0.9779 3557565 ACon1_000071 CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D08 compound treatment -1.02 -0.675 -0.67 -0.381 -0.0234 -0.02 -0.252 0.00108243902438998 0.00135709459415323 -0.3991 -0.5945 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D09 compound treatment -0.679 -0.334 -0.33 -0.768 -0.41 -0.38 -0.09 0.16308243902439 0.204462599199109 -0.293 -0.5382 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D10 compound treatment -0.501 -0.156 -0.16 -0.596 -0.238 -0.22 -0.391 -0.13791756097561 -0.17291244330763 -0.3168 -0.9887 3614338 ACon1_000074 CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)N2CCCC2C(=O)Nc3c(O)cccc3C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D11 mock treatment -1.404 -1.06 -1.05 -0.538 -0.18 -0.17 -0.419 -0.16591756097561 -0.208017098424536 -0.8243 -0.759 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D12 mock treatment -0.866 -0.521 -0.52 -0.276 0.0816 0.08 -0.108 0.14508243902439 0.18189532090967 -0.1504 -0.2714 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D13 compound treatment -1.288 -0.943 -0.94 0.315 0.673 0.62 -0.396 -0.14291756097561 -0.179181131721363 -0.2851 -0.2502 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D14 compound treatment 0.079 0.424 0.42 -0.635 -0.277 -0.26 -0.482 -0.22891756097561 -0.287002572437574 -0.0706 -0.1236 3554269 ACon1_000076 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D15 mock treatment 0.499 0.844 0.84 0.062 0.42 0.39 0.128 0.38108243902439 0.477777414037877 0.9846 0.946 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D16 mock treatment -0.57 -0.225 -0.22 -0.244 0.114 0.11 -0.47 -0.21691756097561 -0.271957720244615 -0.2254 -0.6134 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D17 compound treatment -0.131 0.214 0.21 -0.487 -0.129 -0.12 -0.391 -0.13791756097561 -0.17291244330763 -0.0461 -0.1542 3559890 ACon1_000077 COc1c(O)cc2occ(c3ccccc3O)c(=O)c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D18 compound treatment -0.834 -0.489 -0.49 -0.252 0.106 0.1 -0.662 -0.40891756097561 -0.51267535533197 -0.5202 -0.7293 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D19 compound treatment -0.623 -0.278 -0.28 -0.63 -0.272 -0.25 -0.49 -0.23691756097561 -0.297032473899548 -0.4766 -0.9978 3557614 ACon1_000079 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D20 compound treatment -0.44 -0.0949 -0.09 -0.354 0.00361 0.0 -0.391 -0.13791756097561 -0.17291244330763 -0.1524 -0.7735 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D21 compound treatment -0.564 -0.219 -0.22 -0.624 -0.266 -0.25 -0.517 -0.26391756097561 -0.330883391333707 -0.4591 -0.984 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D22 compound treatment 1.013 1.36 1.34 0.585 0.943 0.87 0.571 0.82408243902439 1.03318320749464 1.8751 0.9842 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D23 compound treatment -1.116 -0.771 -0.77 -0.146 0.212 0.2 -0.258 -0.00491756097561002 -0.00616533150232663 -0.3329 -0.4208 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 D24 compound treatment -1.043 -0.698 -0.69 -1.113 -0.755 -0.7 -0.613 -0.35991756097561 -0.451242208877385 -1.065 -0.9827 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E01 mock treatment -0.428 -0.0829 -0.08 -1.207 -0.849 -0.79 -0.708 -0.45491756097561 -0.570347288738316 -0.831 -0.8523 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E02 mock treatment -1.155 -0.81 -0.81 -0.892 -0.534 -0.49 -0.523 -0.26991756097561 -0.338405817430187 -0.9459 -0.9423 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E03 compound treatment -0.833 -0.488 -0.49 -1.951 -1.59 -1.48 -1.051 -0.79791756097561 -1.00037931392041 -1.7095 -0.9253 451 ACon1_000085 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E04 compound treatment -0.429 -0.0839 -0.08 -0.476 -0.118 -0.11 -0.866 -0.61291756097561 -0.768437842612285 -0.5551 -0.7111 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E05 compound treatment -0.774 -0.429 -0.43 -0.682 -0.324 -0.3 -1.365 -1.11191756097561 -1.39405294630286 -1.2245 -0.8227 1225 ACon1_000087 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E06 compound treatment -0.729 -0.384 -0.38 -0.711 -0.353 -0.33 -1.14 -0.88691756097561 -1.11196196768486 -1.0513 -0.8615 3557593 ACon1_000088 C/C(=C/CO)/CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E07 compound treatment 6.954 7.3 1.95 4.197 4.55 1.7 4.919 5.17208243902439 2.30955154459456 3.4416 0.9922 3559517 ACon1_000089 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCc3ccoc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E08 compound treatment -0.556 -0.211 -0.21 -0.507 -0.149 -0.14 -0.455 -0.20191756097561 -0.253151655003415 -0.3471 -0.9732 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E09 mock treatment -0.639 -0.294 -0.29 -0.88 -0.522 -0.48 -0.2 0.05308243902439 0.0665514540969786 -0.4096 -0.7197 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E10 mock treatment -0.718 -0.373 -0.37 -1.078 -0.72 -0.67 -0.432 -0.17891756097561 -0.224315688300242 -0.7287 -0.9161 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E11 compound treatment -1.123 -0.778 -0.77 -1.266 -0.908 -0.84 -0.538 -0.28491756097561 -0.357211882671386 -1.1384 -0.9509 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E12 compound treatment -0.297 0.0481 0.05 -0.743 -0.385 -0.36 -0.878 -0.62491756097561 -0.783482694805245 -0.6308 -0.7316 3557829 ACon1_000092 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E13 compound treatment -0.512 -0.167 -0.17 -1.633 -1.28 -1.18 -0.887 -0.63391756097561 -0.794766333949965 -1.2365 -0.8628 1052342 ACon1_000093 Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E14 compound treatment -1.163 -0.818 -0.81 -0.791 -0.433 -0.4 -0.598 -0.34491756097561 -0.432436143636185 -0.9508 -0.9465 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E15 compound treatment -0.314 0.0311 0.03 -0.756 -0.398 -0.37 -0.357 -0.10391756097561 -0.130285362094244 -0.2704 -0.6889 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E16 compound treatment -0.329 0.0161 0.02 -0.472 -0.114 -0.11 -0.537 -0.28391756097561 -0.35595814498864 -0.2574 -0.6926 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E17 mock treatment -0.132 0.213 0.21 -0.354 0.00361 0.0 -0.348 -0.09491756097561 -0.119001722949524 0.0555 0.2285 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E18 mock treatment 0.047 0.392 0.39 0.12 0.478 0.44 0.068 0.32108243902439 0.402553153073079 0.7128 0.9985 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E19 compound treatment -0.156 0.189 0.19 -0.246 0.112 0.1 0.003 0.25608243902439 0.321060203694547 0.3536 0.9156 976 ACon1_000097 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E20 compound treatment -0.343 0.00207 0.0 -0.278 0.0796 0.07 -0.339 -0.08591756097561 -0.107718083804805 -0.0184 -0.1413 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E21 compound treatment -0.213 0.132 0.13 -1.319 -0.961 -0.89 -0.299 -0.04591756097561 -0.0575685764949389 -0.4714 -0.5228 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E22 compound treatment -1.258 -0.913 -0.91 -1.492 -1.13 -1.05 -0.406 -0.15291756097561 -0.19171850854883 -1.2411 -0.8857 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E23 compound treatment -0.573 -0.228 -0.23 -0.375 -0.0174 -0.02 -0.218 0.03508243902439 0.0439841758075391 -0.1147 -0.4958 1013994 ACon1_000101 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 E24 compound treatment -0.863 -0.518 -0.51 -0.768 -0.41 -0.38 -0.713 -0.45991756097561 -0.576615977152049 -0.8496 -0.9863 3554732 ACon1_000102 COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F01 mock treatment 0.265 0.61 0.61 0.685 1.04 0.97 0.053 0.30608243902439 0.383747087831879 1.1291 0.9386 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F02 mock treatment 0.08 0.425 0.42 0.222 0.58 0.54 -0.091 0.16208243902439 0.203208861516363 0.6712 0.9417 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F03 compound treatment -0.482 -0.137 -0.14 -0.633 -0.275 -0.25 -0.386 -0.13291756097561 -0.166643754893897 -0.322 -0.9652 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F04 compound treatment -0.25 0.0951 0.09 -0.138 0.22 0.2 -0.704 -0.45091756097561 -0.565332338007329 -0.1544 -0.2539 3559590 ACon1_000104 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F05 compound treatment -0.614 -0.269 -0.27 -0.777 -0.419 -0.39 -0.568 -0.31491756097561 -0.394824013153786 -0.6065 -0.9863 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F06 compound treatment -0.008 0.337 0.34 -0.16 0.198 0.18 -0.406 -0.15291756097561 -0.19171850854883 0.1884 0.441 3554203 ACon1_000106 CCc1c(O)cc(OC)c2C(=O)C[C@@H](C)Oc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F07 compound treatment -0.486 -0.141 -0.14 -0.514 -0.156 -0.14 -0.347 -0.09391756097561 -0.117747985266778 -0.2325 -0.9962 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F08 compound treatment -0.506 -0.161 -0.16 -0.675 -0.317 -0.29 -0.295 -0.04191756097561 -0.0525536257639524 -0.2924 -0.8632 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F09 mock treatment -0.351 -0.00593 -0.01 -0.431 -0.0734 -0.07 -0.201 0.05208243902439 0.065297716414232 -0.0049 -0.0523 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F10 mock treatment -0.769 -0.424 -0.42 -0.982 -0.624 -0.58 -0.316 -0.06291756097561 -0.0788821171016319 -0.6227 -0.8651 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F11 compound treatment -0.802 -0.457 -0.45 -0.698 -0.34 -0.32 -0.344 -0.09091756097561 -0.113986772218538 -0.5101 -0.9035 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F12 compound treatment -0.982 -0.637 -0.63 -0.935 -0.577 -0.53 -0.446 -0.19291756097561 -0.241868015858695 -0.8139 -0.9428 1216977 ACon1_000110 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F13 compound treatment 2.237 2.58 1.62 2.166 2.52 1.51 1.073 1.32608243902439 1.60635308507329 2.734 0.9995 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F14 compound treatment 0.751 1.1 1.09 0.786 1.14 1.06 0.175 0.42808243902439 0.53670308512697 1.5504 0.9621 3552034 ACon1_000112 C/C=C(\C)/C(=O)OC(\C=C\C(O)C(C)O)C1OC(=O)C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F15 compound treatment -0.422 -0.0769 -0.08 -0.715 -0.357 -0.33 -0.409 -0.15591756097561 -0.19547972159707 -0.3481 -0.8882 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F16 compound treatment -0.449 -0.104 -0.1 -0.869 -0.511 -0.47 -0.741 -0.48791756097561 -0.611720632268955 -0.6862 -0.8793 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F17 mock treatment 0.403 0.748 0.74 -0.483 -0.125 -0.12 -0.394 -0.14091756097561 -0.17667365635587 0.2603 0.3367 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F18 mock treatment 0.217 0.562 0.56 -0.101 0.257 0.24 -0.331 -0.07791756097561 -0.0976881823428315 0.4034 0.6559 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F19 compound treatment -0.071 0.274 0.27 -0.267 0.0906 0.08 -0.286 -0.03291756097561 -0.0412699866192326 0.1819 0.6315 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F20 compound treatment -0.325 0.0201 0.02 -0.143 0.215 0.2 0.017 0.27008243902439 0.338612531253 0.3217 0.8184 3554774 ACon1_000116 COc1c(OC/C=C(\C)/CC2OC(=O)C(=C2)C)ccc3ccc(=O)oc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F21 compound treatment -0.57 -0.225 -0.22 -0.713 -0.355 -0.33 -0.331 -0.07791756097561 -0.0976881823428315 -0.3755 -0.9166 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F22 compound treatment -0.431 -0.0859 -0.09 -0.893 -0.535 -0.5 0.069 0.32208243902439 0.403806890755825 -0.1024 -0.1587 3557936 ACon1_000118 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F23 compound treatment -0.349 -0.00393 0.0 -0.335 0.0226 0.02 -0.197 0.05608243902439 0.0703126671452185 0.0504 0.6863 3553532 ACon1_000119 CC(C)C(=O)OC1c2c(C)coc2C(=O)C3[C@@H](O)CC[C@H](C)[C@@]13C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 F24 compound treatment -0.376 -0.0309 -0.03 -0.41 -0.0524 -0.05 0.081 0.33408243902439 0.418851742948785 0.1961 0.4638 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G01 compound treatment -0.913 -0.568 -0.56 -1.076 -0.718 -0.67 -0.563 -0.30991756097561 -0.388555324740052 -0.9344 -0.9783 3559490 ACon1_000121 CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)/CO)C(=CCC12)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G02 compound treatment -0.531 -0.186 -0.18 0.52 0.878 0.81 -0.657 -0.40391756097561 -0.506406666918237 0.0701 0.0719 3060043 ACon1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G03 mock treatment -0.245 0.1 0.1 -0.063 0.295 0.27 -0.06 0.19308243902439 0.242074729681509 0.3547 0.9383 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G04 mock treatment 0.097 0.442 0.44 -0.227 0.131 0.12 -0.014 0.23908243902439 0.299746663087854 0.4966 0.9103 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G05 compound treatment -0.131 0.214 0.21 -0.156 0.202 0.19 -0.164 0.08908243902439 0.111686010675858 0.2951 0.9698 3559421 ACon1_000123 C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc2ccc(O)c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G06 compound treatment -0.382 -0.0369 -0.04 -0.644 -0.286 -0.27 -0.597 -0.34391756097561 -0.431182405953438 -0.4232 -0.8339 3559357 ACon1_000124 COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G07 compound treatment -0.577 -0.232 -0.23 -0.461 -0.103 -0.1 -0.634 -0.38091756097561 -0.477570700215064 -0.4641 -0.8613 3559500 ACon1_000125 C[C@@]1(CCC2C(=C1)CCC3[C@@](C)(CCCC23C)C(=O)O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G08 compound treatment 0.341 0.686 0.68 0.725 1.08 1.0 0.317 0.57008243902439 0.714733836076993 1.3852 0.9842 3553967 ACon1_000126 CC1CC(=O)c2c(O)c3c(O)cc(O)c(c4c(O)cc(O)c5c(O)c6C(=O)CC(C)Oc6cc45)c3cc2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G09 compound treatment -0.398 -0.0529 -0.05 -0.511 -0.153 -0.14 -0.054 0.19908243902439 0.249597155777988 0.0317 0.1086 3559571 ACon1_000127 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)\COC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G10 compound treatment -0.519 -0.174 -0.17 -0.625 -0.267 -0.25 -0.282 -0.02891756097561 -0.036255035888246 -0.2637 -0.867 3557671 ACon1_000128 OCCC(=O)c1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G11 compound treatment 0.465 0.81 0.81 0.412 0.77 0.71 0.256 0.50908243902439 0.638255837429447 1.2449 0.9955 3559625 ACon1_000129 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCc2ccoc2)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G12 compound treatment -1.085 -0.74 -0.74 -0.404 -0.0464 -0.04 -0.449 -0.19591756097561 -0.245629228906935 -0.5913 -0.7613 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G13 compound treatment -0.853 -0.508 -0.5 -0.478 -0.12 -0.11 -0.53 -0.27691756097561 -0.347181981209413 -0.5564 -0.8932 3552088 ACon1_000131 C/C=C/C=C/C(=O)NCCc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G14 compound treatment -0.795 -0.45 -0.45 -1.428 -1.07 -0.99 -0.684 -0.43091756097561 -0.540257584352396 -1.1424 -0.9409 3554659 ACon1_000132 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G15 compound treatment 0.109 0.454 0.45 1.101 1.46 1.29 0.412 0.66508243902439 0.833838915937924 1.4858 0.9289 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G16 compound treatment -0.559 -0.214 -0.21 -1.022 -0.664 -0.62 -0.581 -0.32791756097561 -0.411122603029492 -0.7153 -0.9292 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G17 compound treatment 0.038 0.383 0.38 -0.641 -0.283 -0.26 -0.27 -0.01691756097561 -0.0212101836952864 0.0561 0.1212 926 ACon1_000135 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G18 compound treatment -0.719 -0.374 -0.37 -0.585 -0.227 -0.21 -0.933 -0.67991756097561 -0.85243826735631 -0.8283 -0.8687 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G19 mock treatment -0.812 -0.467 -0.46 -0.996 -0.638 -0.59 -0.782 -0.52891756097561 -0.663123877261567 -0.9921 -0.9899 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G20 mock treatment 0.09 0.435 0.43 -0.155 0.203 0.19 -0.112 0.14108243902439 0.176880370178683 0.4602 0.9138 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G21 compound treatment -0.817 -0.472 -0.47 -0.516 -0.158 -0.15 -0.469 -0.21591756097561 -0.270703982561868 -0.5118 -0.9121 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G22 compound treatment 0.22 0.565 0.56 -0.296 0.0616 0.06 -0.375 -0.12191756097561 -0.152852640383684 0.269 0.4599 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G23 compound treatment -0.753 -0.408 -0.41 -0.727 -0.369 -0.34 -0.676 -0.42291756097561 -0.530227682890423 -0.7377 -0.9836 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 G24 compound treatment -0.484 -0.139 -0.14 -0.168 0.19 0.18 -0.092 0.16108243902439 0.201955123833616 0.1382 0.459 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H01 compound treatment -0.87 -0.525 -0.52 -0.546 -0.188 -0.17 -0.403 -0.14991756097561 -0.18795729550059 -0.5105 -0.878 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H02 compound treatment -0.563 -0.218 -0.22 -0.571 -0.213 -0.2 -0.604 -0.35091756097561 -0.439958569732665 -0.4932 -0.9328 3559607 ACon1_000142 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H03 mock treatment -0.109 0.236 0.23 0.072 0.43 0.4 0.027 0.28008243902439 0.351149908080466 0.5679 0.9788 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H04 mock treatment -0.746 -0.401 -0.4 -0.244 0.114 0.11 -0.414 -0.16091756097561 -0.201748410010803 -0.2859 -0.6229 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H05 compound treatment -0.615 -0.27 -0.27 -0.668 -0.31 -0.29 -0.467 -0.21391756097561 -0.268196507196375 -0.4757 -0.9995 1322 ACon1_000143 COc1cc2ccc(=O)oc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H06 compound treatment -0.762 -0.417 -0.41 -0.603 -0.245 -0.23 -0.546 -0.29291756097561 -0.36724178413336 -0.5825 -0.9732 3559370 ACon1_000144 COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H07 compound treatment -0.447 -0.102 -0.1 -0.42 -0.0624 -0.06 -0.334 -0.08091756097561 -0.101449395391071 -0.1504 -0.9731 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H08 compound treatment -0.319 0.0261 0.03 -0.103 0.255 0.24 -0.2 0.05308243902439 0.0665514540969786 0.1895 0.7693 3557705 ACon1_000146 O=C(/C=C/CCc1ccc2OCOc2c1)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H09 compound treatment -0.655 -0.31 -0.31 -0.131 0.227 0.21 -0.057 0.19608243902439 0.245835942729748 0.0852 0.1908 3553890 ACon1_000147 CC1(O)CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H10 compound treatment 0.849 1.19 1.19 -0.009 0.349 0.32 0.124 0.37708243902439 0.472762463306891 1.1447 0.8686 3554182 ACon1_000148 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H11 compound treatment -0.853 -0.508 -0.5 -0.124 0.234 0.22 -0.219 0.03408243902439 0.0427304381247924 -0.142 -0.2577 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H12 compound treatment -1.022 -0.677 -0.67 -1.03 -0.672 -0.62 -0.603 -0.34991756097561 -0.438704832049918 -1.0013 -0.9852 3555354 ACon1_000150 COc1oc2cccc(C)c2c(=O)c1C(C)(C)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H13 compound treatment 1.27 1.62 1.42 -0.207 0.151 0.14 -0.1 0.15308243902439 0.191925222371643 1.0125 0.7022 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H14 compound treatment 0.212 0.557 0.55 -0.586 -0.228 -0.21 -0.455 -0.20191756097561 -0.253151655003415 0.0515 0.0799 3557583 ACon1_000152 CC1CCC2=C(CCCC2(C)C(=O)O)C1(C)CCc3ccoc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H15 compound treatment -0.06 0.285 0.28 -0.234 0.124 0.11 -0.271 -0.01791756097561 -0.022463921378033 0.2167 0.7072 3558739 ACon1_000153 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H16 compound treatment -1.58 -1.23 -1.23 -0.547 -0.189 -0.18 -0.583 -0.32991756097561 -0.413630078394985 -1.0489 -0.8023 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H17 compound treatment -0.17 0.175 0.17 -0.205 0.153 0.14 -0.144 0.10908243902439 0.136760764330791 0.261 0.994 3557703 ACon1_000155 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H18 compound treatment -0.428 -0.0829 -0.08 -0.428 -0.0704 -0.07 -0.342 -0.08891756097561 -0.111479296853045 -0.1496 -0.9764 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H19 mock treatment -0.29 0.0551 0.05 -0.261 0.0966 0.09 -0.391 -0.13791756097561 -0.17291244330763 -0.0166 -0.082 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H20 mock treatment -0.368 -0.0229 -0.02 -0.174 0.184 0.17 -0.156 0.09708243902439 0.121715912137831 0.1553 0.7382 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H21 compound treatment -0.326 0.0191 0.02 -0.107 0.251 0.23 -0.129 0.12408243902439 0.15556682957199 0.2347 0.8383 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H22 compound treatment -1.067 -0.722 -0.72 -0.384 -0.0264 -0.02 -0.123 0.13008243902439 0.16308925566847 -0.3343 -0.454 3557933 ACon1_000158 C/C=C(/C)\C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H23 compound treatment -1.352 -1.01 -1.0 -0.5 -0.142 -0.13 -0.539 -0.28591756097561 -0.358465620354133 -0.861 -0.8036 3555130 ACon1_000159 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 H24 compound treatment -1.167 -0.822 -0.82 -0.734 -0.376 -0.35 -0.556 -0.30291756097561 -0.379779160960826 -0.8923 -0.9235 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I01 compound treatment -0.317 0.0281 0.03 -0.142 0.216 0.2 -0.264 -0.01091756097561 -0.0136877575988065 0.1235 0.6111 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I02 compound treatment -1.017 -0.672 -0.67 -0.405 -0.0474 -0.04 -0.579 -0.32591756097561 -0.408615127663999 -0.6469 -0.8248 2120761 ACon1_000162 COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I03 compound treatment -0.845 -0.5 -0.5 -1.414 -1.06 -0.98 -1.3 -1.04691756097561 -1.31255999692433 -1.6095 -0.9408 3559509 ACon1_000163 COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I04 compound treatment -0.226 0.119 0.12 -0.166 0.192 0.18 0.036 0.28908243902439 0.362433547225186 0.38 0.9037 3557562 ACon1_000164 C/C(=C\COc1ccc2ccc(=O)oc2c1)/CC3OC(=O)C(=C3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I05 mock treatment -0.008 0.337 0.34 -0.668 -0.31 -0.29 -1.222 -0.96891756097561 -1.21476845767009 -0.6738 -0.5213 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I06 mock treatment -0.35 -0.00493 0.0 -0.262 0.0956 0.09 -0.582 -0.32891756097561 -0.412376340712239 -0.1898 -0.45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I07 compound treatment -1.955 -1.61 -1.6 -0.931 -0.573 -0.53 -0.634 -0.38091756097561 -0.477570700215064 -1.5063 -0.8595 3552640 ACon1_000165 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I08 compound treatment -0.782 -0.437 -0.43 -0.471 -0.113 -0.1 -0.438 -0.18491756097561 -0.231838114396722 -0.4453 -0.8844 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I09 compound treatment -0.212 0.133 0.13 -1.917 -1.56 -1.44 -0.833 -0.57991756097561 -0.727064499081646 -1.177 -0.7257 1036721 ACon1_000167 Oc1c(oc2ccccc2c1=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I10 compound treatment -0.831 -0.486 -0.48 -0.704 -0.346 -0.32 -0.446 -0.19291756097561 -0.241868015858695 -0.6037 -0.9609 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I11 compound treatment 6.226 6.57 1.93 9.773 10.1 1.89 4.274 4.52708243902439 2.25553645664584 3.5055 0.9967 3553943 ACon1_000169 CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@@H](CC[C@]21C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I12 compound treatment -0.792 -0.447 -0.44 -1.472 -1.11 -1.03 -0.48 -0.22691756097561 -0.284495097072081 -1.0165 -0.8771 3554710 ACon1_000170 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I13 compound treatment -0.699 -0.354 -0.35 -1.67 -1.31 -1.22 -0.899 -0.64591756097561 -0.809811186142924 -1.3723 -0.9136 3559593 ACon1_000171 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I14 compound treatment -0.431 -0.0859 -0.09 -1.482 -1.12 -1.04 -0.503 -0.24991756097561 -0.313331063775254 -0.8313 -0.7623 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I15 compound treatment -0.302 0.0431 0.04 -0.602 -0.244 -0.23 -0.411 -0.15791756097561 -0.197987196962563 -0.2202 -0.7252 1032910 ACon1_000173 COc1ccc2OC(CC(=O)c2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I16 compound treatment -0.046 0.299 0.3 -0.124 0.234 0.22 -0.562 -0.30891756097561 -0.387301587057306 0.0729 0.1366 1362 ACon1_000174 COc1c2occc2cc3ccc(=O)oc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I17 compound treatment 0.31 0.655 0.65 -0.784 -0.426 -0.39 -1.094 -0.84091756097561 -1.05429003427852 -0.4606 -0.3542 1568908 ACon1_000175 COc1cccc2oc(cc(=O)c12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I18 compound treatment 1.177 1.52 1.4 1.397 1.75 1.37 1.577 1.83008243902439 1.80060439674641 2.6338 0.9916 1498810 ACon1_000176 CC(=CCOc1c2ccoc2cc3oc(=O)ccc13)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I19 compound treatment -1.617 -1.27 -1.26 -0.744 -0.386 -0.36 -0.544 -0.29091756097561 -0.364734308767866 -1.1472 -0.8412 1913676 ACon1_000177 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I20 compound treatment -0.617 -0.272 -0.27 -0.166 0.192 0.18 -0.414 -0.16091756097561 -0.201748410010803 -0.1701 -0.4464 3559840 ACon1_000178 COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I21 mock treatment -0.722 -0.377 -0.37 -0.664 -0.306 -0.28 -0.513 -0.25991756097561 -0.32586844060272 -0.5683 -0.9936 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I22 mock treatment -0.403 -0.0579 -0.06 -0.373 -0.0154 -0.01 -0.258 -0.00491756097561002 -0.00616533150232663 -0.045 -0.755 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I23 compound treatment 1.366 1.71 1.45 1.928 2.29 1.47 0.48 0.73308243902439 0.919093078364695 2.2159 0.9807 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 I24 compound treatment -0.983 -0.638 -0.63 -1.385 -1.03 -0.95 -0.364 -0.11091756097561 -0.139061525873471 -0.9957 -0.8645 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J01 compound treatment -0.142 0.203 0.2 0.364 0.722 0.67 -0.233 0.02008243902439 0.0251781105663394 0.5169 0.74 3557805 ACon1_000181 CC1=CC(CC2(C)OC2COc3c4occc4cc5ccc(=O)oc35)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J02 compound treatment -0.079 0.266 0.26 -0.03 0.328 0.3 -0.194 0.05908243902439 0.0740738801934585 0.3706 0.9056 3559624 ACon1_000182 COc1ccc(cc1)C2CC(=O)Oc3cc(O)cc(O)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J03 compound treatment -0.268 0.0771 0.08 -0.422 -0.0644 -0.06 -0.286 -0.03291756097561 -0.0412699866192326 -0.014 -0.1329 3559225 ACon1_000183 CC(=O)OCC(=C)[C@@H]1Cc2cc(ccc2O1)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J04 compound treatment -0.463 -0.118 -0.12 -0.838 -0.48 -0.44 -1.228 -0.97491756097561 -1.22229088376657 -1.0302 -0.7888 2060480 ACon1_000184 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J05 mock treatment -0.441 -0.0959 -0.1 -1.047 -0.689 -0.64 -1.061 -0.80791756097561 -1.01291669074788 -1.0084 -0.8396 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J06 mock treatment -0.186 0.159 0.16 0.014 0.372 0.34 -0.234 0.01908243902439 0.0239243728835928 0.3038 0.8006 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J07 compound treatment -0.3 0.0451 0.04 -0.294 0.0636 0.06 0.205 0.45808243902439 0.574315215609369 0.3915 0.676 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J08 compound treatment -0.637 -0.292 -0.29 -0.71 -0.352 -0.33 -0.525 -0.27191756097561 -0.34091329279568 -0.5528 -0.9978 3614341 ACon1_000186 COc1c2C(=O)OCc2c(C)c3OC4(C)CC5(O)OCC6(C)OC7(CCC(C)(C4Cc13)C65O7)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J09 compound treatment 0.797 1.14 1.14 1.035 1.39 1.27 0.689 0.94208243902439 1.18112425405874 2.0696 0.9989 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J10 compound treatment -0.654 -0.309 -0.31 -1.02 -0.662 -0.61 -0.288 -0.03491756097561 -0.0437774619847259 -0.5567 -0.81 3557772 ACon1_000188 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J11 compound treatment -0.472 -0.127 -0.13 -0.183 0.175 0.16 -0.226 0.02708243902439 0.0339542743455659 0.0401 0.1928 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J12 compound treatment -0.418 -0.0729 -0.07 -0.522 -0.164 -0.15 -0.058 0.19508243902439 0.244582205047002 0.0115 0.0386 3557412 ACon1_000190 Oc1ccc(/C=C\NC=O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J13 compound treatment -0.176 0.169 0.17 -0.483 -0.125 -0.12 -0.377 -0.12391756097561 -0.155360115749177 -0.0597 -0.2326 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J14 compound treatment -0.434 -0.0889 -0.09 -0.886 -0.528 -0.49 -0.511 -0.25791756097561 -0.323360965237227 -0.5202 -0.8771 3614342 ACon1_000192 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J15 compound treatment 0.25 0.595 0.59 0.96 1.32 1.22 0.38 0.63308243902439 0.793719310090031 1.5042 0.9574 3557791 ACon1_000193 CC(=CCc1c2OC(CC(=O)c2c(O)c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J16 compound treatment -0.254 0.0911 0.09 -1.006 -0.648 -0.6 -1.073 -0.81991756097561 -1.02796154294084 -0.8879 -0.7437 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J17 compound treatment -0.448 -0.103 -0.1 -0.533 -0.175 -0.16 -0.624 -0.37091756097561 -0.465033323387598 -0.4213 -0.8375 3558159 ACon1_000195 COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J18 compound treatment -0.314 0.0311 0.03 -0.014 0.344 0.32 -0.172 0.08108243902439 0.101656109213885 0.2602 0.7758 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J19 compound treatment -0.145 0.2 0.2 -0.509 -0.151 -0.14 -0.539 -0.28591756097561 -0.358465620354133 -0.1731 -0.3994 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J20 compound treatment -0.408 -0.0629 -0.06 -0.624 -0.266 -0.25 -0.387 -0.13391756097561 -0.167897492576643 -0.2755 -0.9036 3557547 ACon1_000198 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(=O)CC2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J21 mock treatment 0.882 1.23 1.22 1.122 1.48 1.29 0.49 0.74308243902439 0.931630455192162 1.9895 0.9909 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J22 mock treatment -0.338 0.00707 0.01 -0.384 -0.0264 -0.02 -0.165 0.08808243902439 0.110432272993111 0.0537 0.4739 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J23 compound treatment -1.1 -0.755 -0.75 -0.78 -0.422 -0.39 -0.645 -0.39191756097561 -0.491361814725277 -0.9428 -0.9634 3559530 ACon1_000199 C[C@H]1C[C@@H]2O[C@@]31CCC(=C3[C@H]4OC(=O)C(=C)[C@@H]24)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 J24 compound treatment -0.362 -0.0169 -0.02 -0.338 0.0196 0.02 -0.128 0.12508243902439 0.156820567254737 0.0913 0.5751 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K01 compound treatment 2.334 2.68 1.64 6.217 6.57 1.8 0.492 0.74508243902439 0.934137930557655 2.5208 0.9685 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K02 compound treatment -0.305 0.0401 0.04 -0.244 0.114 0.11 -0.084 0.16908243902439 0.211985025295589 0.2061 0.8589 1449 ACon1_000202 CN1[C@@H](CCC1=O)c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K03 compound treatment -0.005 0.34 0.34 -0.09 0.268 0.25 0.224 0.47708243902439 0.598136231581555 0.6836 0.9359 3553119 ACon1_000203 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K04 compound treatment -0.116 0.229 0.23 0.064 0.422 0.39 0.16 0.41308243902439 0.51789701988577 0.6559 0.9542 3557742 ACon1_000204 CC(=CCc1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K05 compound treatment -0.36 -0.0149 -0.01 -0.74 -0.382 -0.35 0.532 0.78508243902439 0.984287437867521 0.3553 0.3396 3559441 ACon1_000205 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K06 compound treatment -0.468 -0.123 -0.12 -0.594 -0.236 -0.22 -0.678 -0.42491756097561 -0.532735158255916 -0.5045 -0.8569 3557579 ACon1_000206 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K07 mock treatment -0.804 -0.459 -0.46 -0.648 -0.29 -0.27 -0.478 -0.22491756097561 -0.281987621706588 -0.5815 -0.9691 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K08 mock treatment -0.365 -0.0199 -0.02 -0.688 -0.33 -0.31 -0.317 -0.06391756097561 -0.0801358547843785 -0.2343 -0.7395 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K09 compound treatment -0.235 0.11 0.11 -0.314 0.0436 0.04 -0.073 0.18008243902439 0.225776139805802 0.2168 0.8533 1442461 ACon1_000207 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K10 compound treatment 0.403 0.748 0.74 -0.925 -0.567 -0.53 -0.701 -0.44791756097561 -0.561571124959089 -0.1982 -0.1852 3554705 ACon1_000208 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K11 compound treatment -0.46 -0.115 -0.11 -0.462 -0.104 -0.1 -0.499 -0.24591756097561 -0.308316113044267 -0.2998 -0.8747 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K12 compound treatment 2.07 2.42 1.6 2.509 2.87 1.55 1.119 1.37208243902439 1.6274823068823 2.7571 0.9998 3559363 ACon1_000210 C/C/1=C\CC\C(=C\CC\C(=C\C2OC(=O)C(=C)C2CC1)\C)\C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K13 compound treatment -0.681 -0.336 -0.33 0.962 1.32 1.22 0.313 0.56608243902439 0.709718885346006 0.9224 0.6353 1250866 ACon1_000211 COc1ccc(cc1)C2CC(=O)c3ccccc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K14 compound treatment 0.028 0.373 0.37 -0.762 -0.404 -0.37 -0.139 0.11408243902439 0.143029452744524 0.0805 0.1475 3557490 ACon1_000212 CC12CCCC(CO)(CO)C2C(=O)CC3(CC4CCC31)CC4=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K15 mock treatment -0.217 0.128 0.13 -0.496 -0.138 -0.13 -0.141 0.11208243902439 0.140521977379031 0.0807 0.3524 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K16 mock treatment -0.296 0.0491 0.05 -0.563 -0.205 -0.19 -0.301 -0.04791756097561 -0.0600760518604322 -0.1163 -0.5665 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K17 compound treatment 0.07 0.415 0.41 -0.446 -0.0884 -0.08 -0.597 -0.34391756097561 -0.431182405953438 -0.058 -0.0962 3559604 ACon1_000213 Oc1ccc2C(=O)/C(=C/c3ccc(O)c(O)c3)/Oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K18 compound treatment 0.456 0.801 0.8 -0.108 0.25 0.23 0.096 0.34908243902439 0.437657808189985 0.8459 0.9022 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K19 compound treatment -0.614 -0.269 -0.27 -1.138 -0.78 -0.72 -0.826 -0.57291756097561 -0.718288335302419 -0.9863 -0.9363 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K20 compound treatment -0.653 -0.308 -0.31 -0.456 -0.0984 -0.09 -0.387 -0.13391756097561 -0.167897492576643 -0.3263 -0.9042 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K21 compound treatment -1.022 -0.677 -0.67 -0.571 -0.213 -0.2 -0.249 0.00408243902438998 0.00511830764239316 -0.4997 -0.7124 1026747 ACon1_000217 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K22 compound treatment -0.638 -0.293 -0.29 -0.277 0.0806 0.07 -0.148 0.10508243902439 0.131745813599804 -0.049 -0.1492 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K23 mock treatment -0.664 -0.319 -0.32 -0.169 0.189 0.17 -0.383 -0.12991756097561 -0.162882541845657 -0.1763 -0.4441 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 K24 mock treatment 0.657 1.0 1.0 0.198 0.556 0.51 0.386 0.63908243902439 0.801241736186511 1.3348 0.9686 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L01 compound treatment 1.303 1.65 1.43 -0.335 0.0226 0.02 -0.19 0.06308243902439 0.079088830924445 0.8842 0.6167 3526 ACon1_000219 Oc1ccc2ccc(=O)oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L02 compound treatment -0.54 -0.195 -0.19 -0.757 -0.399 -0.37 -0.564 -0.31091756097561 -0.389809062422799 -0.5505 -0.9637 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L03 compound treatment -0.607 -0.262 -0.26 -0.476 -0.118 -0.11 -0.695 -0.44191756097561 -0.554048698862609 -0.5335 -0.8578 3558112 ACon1_000221 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L04 compound treatment -1.201 -0.856 -0.85 -1.095 -0.737 -0.68 -0.697 -0.44391756097561 -0.556556174228103 -1.2068 -0.9854 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L05 compound treatment 0.047 0.392 0.39 -0.2 0.158 0.15 0.037 0.29008243902439 0.363687284907933 0.5193 0.9395 2137 ACon1_000223 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L06 compound treatment -0.882 -0.537 -0.53 -0.639 -0.281 -0.26 -0.543 -0.28991756097561 -0.36348057108512 -0.6685 -0.9599 3559437 ACon1_000224 CC(=CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L07 mock treatment -0.275 0.0701 0.07 -0.2 0.158 0.15 -0.229 0.02408243902439 0.030193061297326 0.1419 0.8626 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L08 mock treatment 1.855 2.2 1.56 0.916 1.27 1.18 -0.294 -0.04091756097561 -0.0512998880812057 1.5501 0.7934 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L09 compound treatment -0.751 -0.406 -0.4 -0.227 0.131 0.12 -0.153 0.10008243902439 0.125477125186071 -0.0907 -0.2064 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L10 compound treatment -0.115 0.23 0.23 -0.041 0.317 0.29 -0.061 0.19208243902439 0.240820991998762 0.4404 0.994 3558043 ACon1_000226 COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L11 compound treatment -0.832 -0.487 -0.48 -0.368 -0.0104 -0.01 -0.429 -0.17591756097561 -0.220554475252002 -0.4124 -0.7751 3554965 ACon1_000227 COc1cc(O)c(C(=O)O)c(c1)c2cc(O)c(O)cc2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L12 compound treatment -0.778 -0.433 -0.43 -0.766 -0.408 -0.38 -0.327 -0.07391756097561 -0.092673231611845 -0.5203 -0.8965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L13 compound treatment -0.13 0.215 0.21 -0.082 0.276 0.26 -0.453 -0.19991756097561 -0.250644179637922 0.1261 0.3025 3551952 ACon1_000229 C/C(=C\1/CCC2(COC3C2)C1CCC3(O)C(=O)O)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L14 compound treatment -0.8 -0.455 -0.45 -0.862 -0.504 -0.47 -0.541 -0.28791756097561 -0.360973095719626 -0.7392 -0.994 3557691 ACon1_000230 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(CCC3(C)O)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L15 mock treatment -0.808 -0.463 -0.46 -0.486 -0.128 -0.12 -0.736 -0.48291756097561 -0.605451943855222 -0.6839 -0.8885 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L16 mock treatment -1.306 -0.961 -0.96 -0.68 -0.322 -0.3 -0.71 -0.45691756097561 -0.572854764103809 -1.0546 -0.9145 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L17 compound treatment -0.042 0.303 0.3 -0.379 -0.0214 -0.02 -0.176 0.07708243902439 0.0966411584828981 0.2183 0.6886 1029504 ACon1_000231 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L18 compound treatment -1.264 -0.919 -0.91 -0.499 -0.141 -0.13 -0.409 -0.15591756097561 -0.19547972159707 -0.7159 -0.7589 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L19 compound treatment -0.234 0.111 0.11 -0.086 0.272 0.25 -0.011 0.24208243902439 0.303507876136094 0.3842 0.9385 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L20 compound treatment 0.032 0.377 0.37 0.087 0.445 0.41 -0.202 0.05108243902439 0.0640439787314853 0.4911 0.8762 3557549 ACon1_000234 C[C@](OC(=O)/C=C/c1ccc(O)c(O)c1)([C@@H](O)CO)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L21 compound treatment -0.416 -0.0709 -0.07 -0.148 0.21 0.19 -0.358 -0.10491756097561 -0.131539099776991 -0.0046 -0.0188 3559569 ACon1_000235 COC(=O)/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L22 compound treatment -1.374 -1.03 -1.02 -0.573 -0.215 -0.2 -0.568 -0.31491756097561 -0.394824013153786 -0.9337 -0.8378 3557634 ACon1_000236 C/C=C(/C)\C(=O)OC1C(OC(=O)/C(=C\C)/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L23 mock treatment -1.124 -0.779 -0.77 -0.393 -0.0354 -0.03 -0.481 -0.22791756097561 -0.285748834754828 -0.631 -0.7638 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 L24 mock treatment -0.756 -0.411 -0.41 -0.578 -0.22 -0.2 -0.265 -0.01191756097561 -0.0149414952815531 -0.3623 -0.793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M01 compound treatment -0.557 -0.212 -0.21 -1.483 -1.13 -1.04 -0.591 -0.33791756097561 -0.423659979856958 -0.9679 -0.8457 3559074 ACon1_000237 COc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M02 compound treatment -0.286 0.0591 0.06 -0.449 -0.0914 -0.08 -0.596 -0.34291756097561 -0.429928668270692 -0.2632 -0.5953 959 ACon1_000238 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M03 compound treatment -0.6 -0.255 -0.25 -0.829 -0.471 -0.44 -0.612 -0.35891756097561 -0.449988471194638 -0.6581 -0.9733 1002015 ACon1_000239 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M04 compound treatment -0.746 -0.401 -0.4 -1.079 -0.721 -0.67 -1.808 -1.55491756097561 -1.94945873975962 -1.7413 -0.8296 3557491 ACon1_000240 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(=O)CC45C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M05 compound treatment -0.158 0.187 0.19 -0.779 -0.421 -0.39 -2.557 -2.30391756097561 -2.88850826413686 -1.7856 -0.6114 3559514 ACon1_000241 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M06 compound treatment 0.434 0.779 0.77 0.578 0.936 0.87 -0.16 0.09308243902439 0.116700961406844 1.0147 0.8688 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M07 compound treatment -0.61 -0.265 -0.26 -0.376 -0.0184 -0.02 -0.244 0.00908243902438999 0.0113869960561264 -0.1553 -0.5879 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M08 compound treatment -0.983 -0.638 -0.63 -0.375 -0.0174 -0.02 -0.516 -0.26291756097561 -0.32962965365096 -0.5658 -0.7914 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M09 mock treatment -0.897 -0.552 -0.55 -0.863 -0.505 -0.47 -0.277 -0.02391756097561 -0.0299863474745129 -0.6043 -0.8372 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M10 mock treatment -0.497 -0.152 -0.15 -0.526 -0.168 -0.16 -0.158 0.09508243902439 0.119208436772338 -0.1084 -0.4377 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M11 compound treatment 0.198 0.543 0.54 0.135 0.493 0.46 -0.33 -0.07691756097561 -0.0964344446600849 0.5194 0.7281 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M12 compound treatment 1.633 1.98 1.51 4.202 4.56 1.7 1.396 1.64908243902439 1.73923972697872 2.8585 0.9982 3554653 ACon1_000246 COC(=O)C(=C)CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M13 mock treatment -0.49 -0.145 -0.14 -1.53 -1.17 -1.09 -0.819 -0.56591756097561 -0.709512171523193 -1.1196 -0.858 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M14 mock treatment -0.292 0.0531 0.05 -0.873 -0.515 -0.48 -0.41 -0.15691756097561 -0.196733459279816 -0.3587 -0.6912 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M15 compound treatment -0.129 0.216 0.21 -0.657 -0.299 -0.28 -0.364 -0.11091756097561 -0.139061525873471 -0.1163 -0.3083 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M16 compound treatment -0.238 0.107 0.11 0.094 0.452 0.42 0.17 0.42308243902439 0.530434396713236 0.6091 0.8908 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M17 compound treatment -0.023 0.322 0.32 -0.252 0.106 0.1 -1.232 -0.97891756097561 -1.22730583449756 -0.4673 -0.3673 1502018 ACon1_000249 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M18 compound treatment 0.075 0.42 0.42 -0.015 0.343 0.32 -0.128 0.12508243902439 0.156820567254737 0.5148 0.9405 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M19 compound treatment -0.629 -0.284 -0.28 -0.858 -0.5 -0.46 -0.701 -0.44791756097561 -0.561571124959089 -0.7547 -0.9665 1012 ACon1_000251 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M20 compound treatment -0.572 -0.227 -0.23 -0.333 0.0246 0.02 -0.395 -0.14191756097561 -0.177927394038617 -0.2198 -0.7627 3559846 ACon1_000252 OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M21 compound treatment 1.964 2.31 1.58 3.522 3.88 1.65 2.648 2.90108243902439 2.05095171126598 3.0483 0.9931 3559747 ACon1_000253 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M22 compound treatment -0.274 0.0711 0.07 -0.851 -0.493 -0.46 -0.439 -0.18591756097561 -0.233091852079469 -0.3575 -0.6906 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M23 compound treatment 0.314 0.659 0.66 1.017 1.37 1.26 0.246 0.49908243902439 0.625718460601981 1.4685 0.945 3559655 ACon1_000255 COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 M24 compound treatment -0.311 0.0341 0.03 -0.365 -0.00739 -0.01 -0.1 0.15308243902439 0.191925222371643 0.1264 0.6482 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N01 compound treatment 0.01 0.355 0.35 0.104 0.462 0.43 0.098 0.35108243902439 0.440165283555478 0.7047 0.9956 3558015 ACon1_000257 COc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N02 compound treatment -0.112 0.233 0.23 -0.827 -0.469 -0.43 -0.386 -0.13291756097561 -0.166643754893897 -0.2134 -0.4104 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N03 compound treatment 0.984 1.33 1.32 1.709 2.07 1.43 0.786 1.03908243902439 1.30273680928517 2.3417 0.9991 3557706 ACon1_000259 O=C(CCCCCC/C=C/c1ccc2OCOc2c1)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N04 compound treatment 1.706 2.05 1.53 1.783 2.14 1.45 2.002 2.25508243902439 1.91863704891825 2.8242 0.9921 1538 ACon1_000260 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N05 compound treatment -0.215 0.13 0.13 -0.183 0.175 0.16 -0.201 0.05208243902439 0.065297716414232 0.2057 0.9476 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N06 compound treatment -0.302 0.0431 0.04 -0.413 -0.0554 -0.05 -0.511 -0.25791756097561 -0.323360965237227 -0.1916 -0.5802 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N07 compound treatment 0.259 0.604 0.6 0.259 0.617 0.57 0.295 0.54808243902439 0.687151607056566 1.0731 0.9968 3553729 ACon1_000263 CC(CO)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N08 compound treatment -0.254 0.0911 0.09 -0.484 -0.126 -0.12 -0.433 -0.17991756097561 -0.225569425982989 -0.1455 -0.5395 3614345 ACon1_000264 CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC3C(=CCC4C(C)(CCCC34C)C(=O)O)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N09 mock treatment -0.151 0.194 0.19 -0.092 0.266 0.25 0.108 0.36108243902439 0.452702660382944 0.5148 0.9357 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N10 mock treatment -0.61 -0.265 -0.26 -0.885 -0.527 -0.49 -0.252 0.00108243902438998 0.00135709459415323 -0.4332 -0.7808 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N11 compound treatment -0.678 -0.333 -0.33 -0.21 0.148 0.14 -0.398 -0.14491756097561 -0.181688607086857 -0.2171 -0.5406 3559351 ACon1_000265 CCCCC(CCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N12 compound treatment -0.425 -0.0799 -0.08 -0.444 -0.0864 -0.08 -0.165 0.08808243902439 0.110432272993111 -0.0283 -0.1794 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N13 mock treatment 0.604 0.949 0.94 0.281 0.639 0.59 0.125 0.37808243902439 0.474016200989637 1.1598 0.9584 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N14 mock treatment -0.349 -0.00393 0.0 -0.589 -0.231 -0.21 -0.363 -0.10991756097561 -0.137807788190724 -0.2055 -0.8067 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N15 compound treatment 0.018 0.363 0.36 -0.228 0.13 0.12 -0.17 0.08308243902439 0.104163584579378 0.3378 0.8566 2181 ACon1_000267 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N16 compound treatment -0.139 0.206 0.2 -0.661 -0.303 -0.28 -0.401 -0.14791756097561 -0.185449820135097 -0.151 -0.3832 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N17 compound treatment 0.069 0.414 0.41 -0.132 0.226 0.21 -0.113 0.14008243902439 0.175626632495937 0.4597 0.9307 3557477 ACon1_000269 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N18 compound treatment 1.514 1.86 1.49 4.823 5.18 1.74 4.966 5.21908243902439 2.31310361374842 3.1947 0.9828 270 ACon1_000270 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N19 compound treatment -0.266 0.0791 0.08 -0.015 0.343 0.32 -0.228 0.02508243902439 0.0314467989800726 0.2467 0.7513 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N20 compound treatment -0.665 -0.32 -0.32 -0.733 -0.375 -0.35 -0.714 -0.46091756097561 -0.577869714834795 -0.718 -0.9629 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N21 compound treatment -0.005 0.34 0.34 0.351 0.709 0.66 -0.319 -0.06591756097561 -0.0826433301498718 0.5263 0.7086 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N22 compound treatment -2.125 -1.78 -1.77 -1.596 -1.24 -1.15 -0.834 -0.58091756097561 -0.728318236764393 -2.1042 -0.9432 3552601 ACon1_000274 C[C@@H](CC[C@H]1C(=CC(=O)C2C(C)(C)CCC[C@]12C)C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N23 compound treatment -0.761 -0.416 -0.41 -0.54 -0.182 -0.17 -0.411 -0.15791756097561 -0.197987196962563 -0.4506 -0.9222 1307633 ACon1_000275 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 N24 compound treatment -0.53 -0.185 -0.18 -0.342 0.0156 0.01 -0.235 0.01808243902439 0.0226706352008462 -0.0847 -0.4559 3557790 ACon1_000276 CC1CCC(=O)C2(O)CC(=O)C3C(C3(C)C)C12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O01 compound treatment -0.078 0.267 0.27 -0.98 -0.622 -0.58 0.197 0.45008243902439 0.564285314147396 0.1464 0.1724 3559471 ACon1_000277 C[C@@]12CCCC(=C)[C@@H]2C[C@@](O)(CC1)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O02 compound treatment -0.301 0.0441 0.04 -0.28 0.0776 0.07 -0.418 -0.16491756097561 -0.206763360741789 -0.0526 -0.2356 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O03 compound treatment 0.072 0.417 0.41 0.088 0.446 0.41 0.066 0.31908243902439 0.400045677707585 0.7086 0.9999 2069231 ACon1_000279 CC(=CCc1cc(ccc1O)C(=O)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O04 compound treatment 4.321 4.67 1.83 2.373 2.73 1.54 2.79 3.04308243902439 2.07472673116609 3.14 0.9927 2091975 ACon1_000280 C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O05 compound treatment -0.863 -0.518 -0.51 -1.19 -0.832 -0.77 -0.852 -0.59891756097561 -0.750885515053832 -1.1758 -0.9857 3559534 ACon1_000281 CC1C[C@@H]2OC(=O)C(=C)C2C[C@]34O[C@]4(C)CCC13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O06 compound treatment -0.598 -0.253 -0.25 -0.668 -0.31 -0.29 -0.564 -0.31091756097561 -0.389809062422799 -0.5362 -0.9825 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O07 compound treatment -1.122 -0.777 -0.77 -0.903 -0.545 -0.51 -0.827 -0.57391756097561 -0.719542072985166 -1.1529 -0.9852 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O08 compound treatment 0.006 0.351 0.35 -0.365 -0.00739 -0.01 -0.105 0.14808243902439 0.18565653395791 0.3047 0.7708 1000088 ACon1_000284 OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O09 compound treatment -0.769 -0.424 -0.42 -0.485 -0.127 -0.12 -0.65 -0.39691756097561 -0.49763050313901 -0.5987 -0.9035 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O10 compound treatment 2.507 2.85 1.66 2.955 3.31 1.6 0.432 0.68508243902439 0.858913669592856 2.379 0.9665 3554190 ACon1_000286 CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O11 mock treatment -0.461 -0.116 -0.12 -0.31 0.0476 0.04 -0.23 0.02308243902439 0.0289393236145793 -0.0244 -0.1924 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O12 mock treatment -0.21 0.135 0.13 -0.271 0.0866 0.08 -0.118 0.13508243902439 0.169357944082203 0.2216 0.9613 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O13 compound treatment -0.416 -0.0709 -0.07 -0.55 -0.192 -0.18 -0.829 -0.57591756097561 -0.722049548350659 -0.5604 -0.7502 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O14 compound treatment 0.361 0.706 0.7 1.954 2.31 1.47 1.833 2.08608243902439 1.87544006709062 2.3396 0.9407 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O15 compound treatment -0.506 -0.161 -0.16 -0.497 -0.139 -0.13 -0.396 -0.14291756097561 -0.179181131721363 -0.2703 -0.9914 3559563 ACon1_000289 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O16 compound treatment 2.2 2.55 1.62 2.933 3.29 1.6 2.303 2.55608243902439 1.98589371080702 3.0031 0.9947 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O17 compound treatment -0.334 0.0111 0.01 -0.839 -0.481 -0.45 -0.688 -0.43491756097561 -0.545272535083383 -0.5658 -0.8033 3559643 ACon1_000291 OC(CCc1ccccc1)CC(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O18 compound treatment -0.336 0.00907 0.01 -0.379 -0.0214 -0.02 -0.291 -0.03791756097561 -0.0475386750329658 -0.0337 -0.6442 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O19 compound treatment -0.858 -0.513 -0.51 -0.685 -0.327 -0.3 -0.91 -0.65691756097561 -0.823602300653137 -0.9449 -0.931 1071301 ACon1_000293 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O20 compound treatment -1.359 -1.01 -1.01 -0.398 -0.0404 -0.04 0.2 0.45308243902439 0.568046527195636 -0.2756 -0.2381 3557261 ACon1_000294 OC(=O)CCC(=O)Cc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O21 compound treatment -0.903 -0.558 -0.55 -0.543 -0.185 -0.17 -0.438 -0.18491756097561 -0.231838114396722 -0.5532 -0.8848 1010377 ACon1_000295 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O22 compound treatment -0.751 -0.406 -0.4 -0.856 -0.498 -0.46 -0.729 -0.47591756097561 -0.596675780075995 -0.8439 -0.9865 3557778 ACon1_000296 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O23 compound treatment -0.631 -0.286 -0.28 -0.387 -0.0294 -0.03 -0.423 -0.16991756097561 -0.213032049155523 -0.3028 -0.85 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 O24 compound treatment -0.759 -0.414 -0.41 -0.331 0.0266 0.02 -0.294 -0.04091756097561 -0.0512998880812057 -0.253 -0.609 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P01 compound treatment 1.006 1.35 1.34 0.125 0.483 0.45 0.702 0.95508243902439 1.19742284393445 1.7226 0.9305 3554303 ACon1_000299 CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P02 compound treatment -0.884 -0.539 -0.54 -0.674 -0.316 -0.29 -0.657 -0.40391756097561 -0.506406666918237 -0.7709 -0.9717 3553173 ACon1_000300 CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P03 compound treatment -0.289 0.0561 0.06 -0.893 -0.535 -0.5 -0.855 -0.60191756097561 -0.754646728102072 -0.6897 -0.7624 3557492 ACon1_000301 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(O)CC45C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P04 compound treatment 0.517 0.862 0.86 -0.294 0.0636 0.06 1.858 2.11108243902439 1.88211240289809 1.6155 0.7808 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P05 compound treatment 0.628 0.973 0.97 -0.046 0.312 0.29 -0.064 0.18908243902439 0.237059778950522 0.862 0.8312 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P06 compound treatment -0.849 -0.504 -0.5 -0.541 -0.183 -0.17 -0.893 -0.63991756097561 -0.802288760046444 -0.8505 -0.885 3614348 ACon1_000304 COc1cc(O)c2C(=O)OC(O)(CO)C(C)c2c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P07 compound treatment 0.224 0.569 0.57 0.291 0.649 0.6 0.256 0.50908243902439 0.638255837429447 1.0419 0.9988 3557880 ACon1_000305 COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P08 compound treatment 0.759 1.1 1.1 0.534 0.892 0.83 0.767 1.02008243902439 1.27891579331298 1.8487 0.9851 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P09 compound treatment -0.62 -0.275 -0.27 -0.803 -0.445 -0.41 -0.15 0.10308243902439 0.129238338234311 -0.3213 -0.6283 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P10 compound treatment -0.959 -0.614 -0.61 -0.591 -0.233 -0.22 -0.551 -0.29791756097561 -0.373510472547093 -0.6928 -0.9268 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P11 mock treatment -0.97 -0.625 -0.62 -0.389 -0.0314 -0.03 -0.33 -0.07691756097561 -0.0964344446600849 -0.4312 -0.685 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P12 mock treatment -0.38 -0.0349 -0.03 -0.339 0.0186 0.02 -0.086 0.16708243902439 0.209477549930096 0.1108 0.5203 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P13 compound treatment 0.821 1.17 1.16 1.853 2.21 1.46 0.065 0.31808243902439 0.398791940024839 1.7413 0.9141 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P14 compound treatment -0.555 -0.21 -0.21 -0.097 0.261 0.24 -0.429 -0.17591756097561 -0.220554475252002 -0.1085 -0.2798 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P15 compound treatment -0.163 0.182 0.18 0.694 1.05 0.97 -0.736 -0.48291756097561 -0.605451943855222 0.3171 0.2732 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P16 compound treatment 1.42 1.77 1.46 1.803 2.16 1.45 -0.337 -0.08391756097561 -0.105210608439311 1.6201 0.786 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P17 compound treatment -0.021 0.324 0.32 -0.02 0.338 0.31 -0.189 0.06408243902439 0.0803425686071917 0.4129 0.9053 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P18 compound treatment -0.059 0.286 0.28 0.327 0.685 0.63 0.506 0.75908243902439 0.951690258116108 1.0796 0.9163 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P19 compound treatment -0.17 0.175 0.17 -0.198 0.16 0.15 -0.175 0.07808243902439 0.0978948961656447 0.2423 0.9755 3557267 ACon1_000315 NC(=O)Cc1ccc(O)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P20 compound treatment 2.391 2.74 1.64 0.425 0.783 0.72 1.1 1.35308243902439 1.61885565206827 2.3022 0.952 3557599 ACon1_000316 C[C@H]1CCC(CC=C1CCC(=O)C)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P21 compound treatment -0.649 -0.304 -0.3 -0.996 -0.638 -0.59 -0.596 -0.34291756097561 -0.429928668270692 -0.764 -0.9659 3614352 ACon1_000317 COc1ccc(cc1)C(=O)O[C@H]2CC(=CCC3(C)CC[C@@](O)(C(C)C)[C@H]23)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P22 compound treatment -1.083 -0.738 -0.73 -0.579 -0.221 -0.2 -0.535 -0.28191756097561 -0.353450669623147 -0.746 -0.8883 3557663 ACon1_000318 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P23 compound treatment 0.5 0.845 0.84 0.11 0.468 0.43 0.219 0.47208243902439 0.591867543167822 1.0767 0.9655 1113986 ACon1_000319 O=c1cccc2C3CNCC(C3)Cn21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2290 P24 compound treatment -0.621 -0.276 -0.27 -0.37 -0.0124 -0.01 -0.298 -0.04491756097561 -0.0563148388121923 -0.1975 -0.7047 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A01 compound treatment -0.056 0.289 0.29 -0.401 -0.0434 -0.04 -0.267 -0.01391756097561 -0.0174489706470464 0.1326 0.4563 3557665 ACon1_000321 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A02 compound treatment -0.893 -0.548 -0.54 -2.015 -1.66 -1.53 -1.111 -0.85791756097561 -1.07560357488521 -1.8215 -0.9333 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A03 compound treatment -0.808 -0.463 -0.46 -1.741 -1.38 -1.28 -0.905 -0.65191756097561 -0.817333612239404 -1.4772 -0.9304 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A04 compound treatment 0.182 0.527 0.52 0.302 0.66 0.61 0.198 0.45108243902439 0.565539051830142 0.9817 0.9981 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A05 compound treatment -0.129 0.216 0.21 -0.259 0.0986 0.09 -1.586 -1.33291756097561 -1.67112897418987 -0.7881 -0.4671 3558051 ACon1_000325 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A06 compound treatment 0.228 0.573 0.57 0.015 0.373 0.35 0.199 0.45208243902439 0.566792789512889 0.8554 0.978 3558231 ACon1_000326 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3cc(O)c(OC)c(OC)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A07 compound treatment 0.278 0.623 0.62 -0.231 0.127 0.12 -0.16 0.09308243902439 0.116700961406844 0.4927 0.7685 3558131 ACon1_000327 OCC1OC(Oc2cc(O)cc(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A08 compound treatment -0.121 0.224 0.22 0.048 0.406 0.38 -0.061 0.19208243902439 0.240820991998762 0.4845 0.9716 3553198 ACon1_000328 CC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A09 compound treatment -0.627 -0.282 -0.28 -0.841 -0.483 -0.45 -0.13 0.12308243902439 0.154313091889244 -0.3312 -0.6019 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A10 compound treatment -0.142 0.203 0.2 -0.189 0.169 0.16 -0.136 0.11708243902439 0.146790665792764 0.2914 0.9899 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A11 compound treatment 0.765 1.11 1.1 0.916 1.27 1.18 0.646 0.89908243902439 1.12721353370064 1.9688 0.9996 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A12 compound treatment -0.785 -0.44 -0.44 -1.744 -1.39 -1.28 -0.679 -0.42591756097561 -0.533988895938663 -1.302 -0.8933 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A13 mock treatment -0.462 -0.117 -0.12 -0.68 -0.322 -0.3 -0.397 -0.14391756097561 -0.18043486940411 -0.3436 -0.9346 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A14 mock treatment -0.372 -0.0269 -0.03 -0.952 -0.594 -0.55 -0.448 -0.19491756097561 -0.244375491224189 -0.4743 -0.7869 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A15 compound treatment 0.029 0.374 0.37 -0.107 0.251 0.23 -0.031 0.22208243902439 0.278433122481161 0.5094 0.981 3553760 ACon1_000333 CC(O)CCCCC(C(=O)O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A16 compound treatment -0.628 -0.283 -0.28 -1.195 -0.837 -0.78 -1.413 -1.15991756097561 -1.4542323550747 -1.4497 -0.8671 3559671 ACon1_000334 CC(CCOC(=O)C)CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A17 compound treatment -0.436 -0.0909 -0.09 -1.139 -0.781 -0.72 -1.314 -1.06091756097561 -1.33011232448278 -1.2379 -0.8161 3559515 ACon1_000335 COC(=O)/C=C(\C)/CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A18 compound treatment 0.046 0.391 0.39 -0.156 0.202 0.19 0.0 0.25308243902439 0.317298990646307 0.5154 0.9627 2082296 ACon1_000336 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A19 compound treatment -0.406 -0.0609 -0.06 -0.531 -0.173 -0.16 -0.404 -0.15091756097561 -0.189211033183336 -0.2369 -0.9275 3553961 ACon1_000337 CC1CC(=O)C2=C(C1)C(Cl)C(O)C3(O)C(O)c4c(O)cccc4C(=O)C23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A20 compound treatment -0.418 -0.0729 -0.07 -0.058 0.3 0.28 -0.097 0.15608243902439 0.195686435419883 0.2313 0.6662 3557551 ACon1_000338 COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c3C(=O)CC(Oc13)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A21 compound treatment 0.713 1.06 1.05 1.007 1.36 1.26 0.707 0.96008243902439 1.20369153234818 2.0293 0.9972 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A22 compound treatment -0.647 -0.302 -0.3 -0.456 -0.0984 -0.09 -0.431 -0.17791756097561 -0.223061950617496 -0.3547 -0.9215 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A23 compound treatment 0.208 0.553 0.55 -0.1 0.258 0.24 -0.103 0.15008243902439 0.188164009323403 0.5638 0.8975 3557890 ACon1_000341 COc1cc(cc(OC)c1OC)C(=O)OC2OC(CO)C(O)C(O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 A24 compound treatment -0.433 -0.0879 -0.09 -1.072 -0.714 -0.66 -0.467 -0.21391756097561 -0.268196507196375 -0.5872 -0.8166 3558223 ACon1_000342 COc1cc(O)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B01 compound treatment -0.511 -0.166 -0.16 -0.042 0.316 0.29 1.032 1.28508243902439 1.58679848313065 0.9896 0.6102 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B02 compound treatment -0.403 -0.0579 -0.06 -0.706 -0.348 -0.32 0.013 0.26608243902439 0.333597580522013 -0.0269 -0.0575 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B03 compound treatment -0.195 0.15 0.15 -0.702 -0.344 -0.32 -0.536 -0.28291756097561 -0.354704407305893 -0.3028 -0.6058 3557417 ACon1_000345 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B04 compound treatment -0.597 -0.252 -0.25 -1.909 -1.55 -1.44 -1.134 -0.88091756097561 -1.10443954158839 -1.6116 -0.881 3559419 ACon1_000346 COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B05 compound treatment -0.397 -0.0519 -0.05 -1.111 -0.753 -0.7 -0.657 -0.40391756097561 -0.506406666918237 -0.7249 -0.8395 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B06 compound treatment -0.039 0.306 0.3 -0.119 0.239 0.22 -0.342 -0.08891756097561 -0.111479296853045 0.2389 0.609 3555950 ACon1_000348 Oc1cccc(C(=O)NCC[C@@H](CNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B07 compound treatment 0.271 0.616 0.61 2.158 2.52 1.51 1.823 2.07608243902439 1.8727420571746 2.3045 0.9292 3555286 ACon1_000349 COc1ccc2[C@H](C)[C@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B08 compound treatment 0.477 0.822 0.82 0.379 0.737 0.68 0.53 0.78308243902439 0.981779962502027 1.4325 0.9892 715 ACon1_000350 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B09 compound treatment -0.334 0.0111 0.01 0.046 0.404 0.37 -0.129 0.12408243902439 0.15556682957199 0.3119 0.7703 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B10 compound treatment -0.511 -0.166 -0.16 -0.498 -0.14 -0.13 -0.345 -0.09191756097561 -0.115240509901284 -0.2368 -0.9886 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B11 compound treatment -1.535 -1.19 -1.18 -0.899 -0.541 -0.5 -0.744 -0.49091756097561 -0.615481845317195 -1.3278 -0.932 1352 ACon1_000353 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B12 compound treatment -0.512 -0.167 -0.17 -0.392 -0.0344 -0.03 -0.155 0.09808243902439 0.122969649820578 -0.0432 -0.2067 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B13 mock treatment -0.009 0.336 0.33 -0.529 -0.171 -0.16 -0.3 -0.04691756097561 -0.0588223141776856 0.0673 0.1797 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B14 mock treatment 0.045 0.39 0.39 -0.451 -0.0934 -0.09 -0.244 0.00908243902438999 0.0113869960561264 0.1805 0.4542 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B15 compound treatment 0.281 0.626 0.62 0.093 0.451 0.42 0.195 0.44808243902439 0.561777838781902 0.9246 0.9873 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B16 compound treatment 0.103 0.448 0.45 -0.367 -0.00939 -0.01 -0.169 0.08408243902439 0.105417322262125 0.313 0.6837 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B17 compound treatment 0.141 0.486 0.48 0.193 0.551 0.51 0.267 0.52008243902439 0.652046951939661 0.9498 0.991 3559769 ACon1_000357 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B18 compound treatment -0.036 0.309 0.31 0.097 0.455 0.42 0.078 0.33108243902439 0.415090529900545 0.6601 0.9907 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B19 compound treatment 1.394 1.74 1.46 4.368 4.73 1.71 2.449 2.70208243902439 2.014803215058 2.9909 0.9913 3559817 ACon1_000359 COc1c(CC=C(C)C)cc(cc1CC=C(C)C)C2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B20 compound treatment -0.252 0.0931 0.09 -0.681 -0.323 -0.3 -0.163 0.09008243902439 0.112939748358604 -0.0543 -0.1629 3554713 ACon1_000360 COC(=O)c1cc(OC)cc(OC)c1C(=O)c2coc(/C=C/C)c(OC)c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B21 compound treatment -0.844 -0.499 -0.5 0.168 0.526 0.49 0.041 0.29408243902439 0.368702235638919 0.2075 0.2637 3553590 ACon1_000361 CC(C)C1CCC2(C)CCC(O)C(C)(O)C2C1OC(=O)/C=C/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B22 compound treatment -0.553 -0.208 -0.21 -0.493 -0.135 -0.13 -0.337 -0.08391756097561 -0.105210608439311 -0.2525 -0.9576 3558127 ACon1_000362 OCC1OC(OC2OC=CC3(O)C(OC(=O)c4ccc(O)cc4)C=C(CO)C23)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B23 compound treatment -0.651 -0.306 -0.3 -0.606 -0.248 -0.23 -0.432 -0.17891756097561 -0.224315688300242 -0.4379 -0.9898 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 B24 compound treatment -0.123 0.222 0.22 0.159 0.517 0.48 0.049 0.30208243902439 0.378732137100893 0.6223 0.9591 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C01 compound treatment 0.136 0.481 0.48 -0.027 0.331 0.31 -0.833 -0.57991756097561 -0.727064499081646 0.0331 0.0359 3557813 ACon1_000365 OC1COC(Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c4ccc(O)c(O)c4)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C02 compound treatment 0.049 0.394 0.39 -0.046 0.312 0.29 0.451 0.70408243902439 0.882734685565043 0.9024 0.8953 3558044 ACon1_000366 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C03 compound treatment -0.397 -0.0519 -0.05 -0.553 -0.195 -0.18 -0.428 -0.17491756097561 -0.219300737569256 -0.2609 -0.9029 3557757 ACon1_000367 COc1cc(O)cc2occ(c3ccc(O)cc3)c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C04 compound treatment -0.041 0.304 0.3 -0.567 -0.209 -0.19 -0.475 -0.22191756097561 -0.278226408658348 -0.098 -0.2158 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C05 compound treatment -0.169 0.176 0.18 -0.117 0.241 0.22 -0.149 0.10408243902439 0.130492075917057 0.305 0.9779 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C06 compound treatment -0.09 0.255 0.25 -0.186 0.172 0.16 -0.097 0.15608243902439 0.195686435419883 0.3511 0.982 3554832 ACon1_000370 COc1cc(c(OC)cc1O)c2coc3cc(O)cc(O)c3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C07 compound treatment -0.379 -0.0339 -0.03 -0.605 -0.247 -0.23 -0.485 -0.23191756097561 -0.290763785485814 -0.3196 -0.8599 3558135 ACon1_000371 COc1cc2OC(CC(=O)c2c(OC)c1C)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C08 compound treatment -0.281 0.0641 0.06 -0.465 -0.107 -0.1 -0.378 -0.12491756097561 -0.156613853431924 -0.1111 -0.5662 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C09 compound treatment -0.561 -0.216 -0.21 -0.464 -0.106 -0.1 -0.416 -0.16291756097561 -0.204255885376296 -0.2987 -0.9567 703 ACon1_000373 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C10 compound treatment -0.462 -0.117 -0.12 -0.165 0.193 0.18 -0.047 0.20608243902439 0.258373319557215 0.185 0.5527 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C11 mock treatment -0.848 -0.503 -0.5 -0.296 0.0616 0.06 -0.294 -0.04091756097561 -0.0512998880812057 -0.2854 -0.5641 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C12 mock treatment -0.771 -0.426 -0.42 -0.363 -0.00539 0.0 -0.169 0.08408243902439 0.105417322262125 -0.1865 -0.4274 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C13 compound treatment -0.453 -0.108 -0.11 -0.311 0.0466 0.04 0.633 0.88608243902439 1.11091494382493 0.6044 0.5411 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C14 compound treatment -0.718 -0.373 -0.37 -0.301 0.0566 0.05 0.073 0.32608243902439 0.408821841486812 0.0522 0.0942 3557399 ACon1_000376 OC1C=CC(O)C23OC13C(O)C=CC42Oc5cccc6cccc(O4)c56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C15 mock treatment -0.415 -0.0699 -0.07 -0.289 0.0686 0.06 0.062 0.31508243902439 0.395030726976599 0.2246 0.5531 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C16 mock treatment 0.332 0.677 0.67 0.263 0.621 0.57 0.314 0.56708243902439 0.710972623028753 1.1309 0.9962 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C17 compound treatment 0.019 0.364 0.36 -0.021 0.337 0.31 -0.063 0.19008243902439 0.238313516633269 0.5265 0.9863 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C18 compound treatment -0.458 -0.113 -0.11 -0.713 -0.355 -0.33 -0.125 0.12808243902439 0.160581780302977 -0.1621 -0.4232 3557463 ACon1_000378 COc1cc(oc(=O)c1)C2C3(O)CC4OC(=O)C3(O)C(C(=O)c5ccccc5)C2(O)C4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C19 compound treatment -0.288 0.0571 0.06 -0.445 -0.0874 -0.08 -0.22 0.03308243902439 0.0414767004420458 0.01 0.0931 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C20 compound treatment 0.412 0.757 0.75 0.295 0.653 0.6 -0.444 -0.19091756097561 -0.239360540493202 0.6452 0.6488 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C21 compound treatment -0.872 -0.527 -0.52 -0.33 0.0276 0.03 -0.234 0.01908243902439 0.0239243728835928 -0.2739 -0.5216 3557766 ACon1_000381 CC1=C2C/C=C(\C)/C(C/C=C(\C)/CC2OC1=O)OC3OC(CO)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C22 compound treatment -0.968 -0.623 -0.62 -0.386 -0.0284 -0.03 -0.395 -0.14191756097561 -0.177927394038617 -0.4755 -0.7373 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C23 compound treatment -0.123 0.222 0.22 -0.091 0.267 0.25 0.127 0.38008243902439 0.476523676355131 0.5451 0.9393 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 C24 compound treatment -0.383 -0.0379 -0.04 -0.211 0.147 0.14 -0.226 0.02708243902439 0.0339542743455659 0.0762 0.5258 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D01 compound treatment -0.531 -0.186 -0.18 -0.391 -0.0334 -0.03 -0.369 -0.11591756097561 -0.145330214287204 -0.2085 -0.8791 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D02 compound treatment -0.443 -0.0979 -0.1 -0.517 -0.159 -0.15 -0.696 -0.44291756097561 -0.555302436545356 -0.462 -0.7928 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D03 compound treatment -0.056 0.289 0.29 -0.417 -0.0594 -0.05 -0.628 -0.37491756097561 -0.470048274118584 -0.1372 -0.2478 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D04 compound treatment -0.194 0.151 0.15 -0.178 0.18 0.17 -0.259 -0.00591756097561003 -0.00741906918507327 0.1784 0.7959 3559732 ACon1_000388 CC1=C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]3[C@H]1CC[C@@]3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D05 compound treatment 0.258 0.603 0.6 1.275 1.63 1.34 0.185 0.43808243902439 0.549240461954436 1.4347 0.9172 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D06 compound treatment -0.166 0.179 0.18 -0.569 -0.211 -0.2 -0.596 -0.34291756097561 -0.429928668270692 -0.2584 -0.512 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D07 compound treatment 0.065 0.41 0.41 -0.325 0.0326 0.03 -0.226 0.02708243902439 0.0339542743455659 0.2724 0.6641 3557737 ACon1_000391 CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D08 compound treatment -0.826 -0.481 -0.48 -0.547 -0.189 -0.18 -0.604 -0.35091756097561 -0.439958569732665 -0.6313 -0.9381 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D09 compound treatment -0.562 -0.217 -0.22 -0.286 0.0716 0.07 -0.437 -0.18391756097561 -0.230584376713976 -0.2194 -0.68 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D10 compound treatment -0.924 -0.579 -0.58 -0.635 -0.277 -0.26 -0.611 -0.35791756097561 -0.448734733511891 -0.7397 -0.956 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D11 mock treatment -0.342 0.00307 0.0 -0.22 0.138 0.13 -0.329 -0.07591756097561 -0.0951807069773382 0.0204 0.1281 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D12 mock treatment -0.891 -0.546 -0.54 -0.41 -0.0524 -0.05 -0.07 0.18308243902439 0.229537352854042 -0.2088 -0.3532 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D13 compound treatment 0.569 0.914 0.91 -0.023 0.335 0.31 0.219 0.47208243902439 0.591867543167822 1.0453 0.9267 3557863 ACon1_000395 CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D14 compound treatment 1.318 1.66 1.44 0.673 1.03 0.95 0.149 0.40208243902439 0.504105905375557 1.6708 0.9303 3558515 ACon1_000396 C[C@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D15 mock treatment -0.069 0.276 0.27 -0.03 0.328 0.3 -0.007 0.24608243902439 0.308522826867081 0.5117 0.9987 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D16 mock treatment 0.263 0.608 0.6 -0.026 0.332 0.31 -0.384 -0.13091756097561 -0.164136279528404 0.4315 0.6186 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D17 compound treatment 0.426 0.771 0.77 -0.641 -0.283 -0.26 -0.956 -0.70291756097561 -0.881274234059483 -0.2177 -0.1819 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D18 compound treatment -0.089 0.256 0.25 -0.609 -0.251 -0.23 -0.493 -0.23991756097561 -0.300793686947788 -0.1611 -0.3519 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D19 compound treatment -0.204 0.141 0.14 -0.413 -0.0554 -0.05 -0.506 -0.25291756097561 -0.317092276823494 -0.1317 -0.3758 3559700 ACon1_000399 CO[C@@H]1C[C@@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D20 compound treatment 0.077 0.422 0.42 0.204 0.562 0.52 0.144 0.39708243902439 0.497837216961824 0.8299 0.996 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D21 compound treatment -1.536 -1.19 -1.18 -1.282 -0.924 -0.86 -0.452 -0.19891756097561 -0.249390441955175 -1.3217 -0.8918 3559727 ACon1_000401 COC(=O)CC(C)CC[C@H]1C(=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D22 compound treatment -0.971 -0.626 -0.62 -0.258 0.0996 0.09 -1.071 -0.81791756097561 -1.02545406757535 -0.8981 -0.7465 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D23 compound treatment -0.67 -0.325 -0.32 -0.355 0.00261 0.0 -0.211 0.04208243902439 0.0527603395867656 -0.1546 -0.4725 3553349 ACon1_000403 CC(=O)O[C@H]1CC(=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 D24 compound treatment 1.686 2.03 1.52 0.062 0.42 0.39 0.301 0.55408243902439 0.694674033153046 1.5049 0.8756 3554883 ACon1_000404 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E01 mock treatment -0.116 0.229 0.23 0.223 0.581 0.54 0.305 0.55808243902439 0.699688983884033 0.8458 0.9282 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E02 mock treatment -0.816 -0.471 -0.47 -1.591 -1.23 -1.14 -0.902 -0.64891756097561 -0.813572399191164 -1.3994 -0.9466 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E03 compound treatment -0.965 -0.62 -0.62 -0.93 -0.572 -0.53 -0.813 -0.55991756097561 -0.701989745426713 -1.0671 -0.9936 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E04 compound treatment -0.454 -0.109 -0.11 -0.551 -0.193 -0.18 -0.837 -0.58391756097561 -0.732079449812632 -0.5886 -0.773 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E05 compound treatment -0.253 0.0921 0.09 -0.064 0.294 0.27 -0.3 -0.04691756097561 -0.0588223141776856 0.1758 0.6005 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E06 compound treatment 0.26 0.605 0.6 0.225 0.583 0.54 0.139 0.39208243902439 0.49156852854809 0.9426 0.9966 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E07 compound treatment -0.485 -0.14 -0.14 -0.264 0.0936 0.09 -0.167 0.08608243902439 0.107924797627618 0.032 0.1632 1524104 ACon1_000409 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E08 compound treatment 0.211 0.556 0.55 0.004 0.362 0.33 0.303 0.55608243902439 0.69718150851854 0.915 0.9625 2060441 ACon1_000410 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E09 mock treatment 0.645 0.99 0.98 1.506 1.86 1.39 0.729 0.98208243902439 1.23127376136861 2.0821 0.9905 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E10 mock treatment -0.095 0.25 0.25 -0.389 -0.0314 -0.03 0.053 0.30608243902439 0.383747087831879 0.3483 0.7602 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E11 compound treatment 0.101 0.446 0.44 -0.05 0.308 0.28 0.309 0.56208243902439 0.704703934615019 0.8273 0.9402 3614358 ACon1_000411 C[C@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E12 compound treatment -0.484 -0.139 -0.14 -1.06 -0.702 -0.65 -0.521 -0.26791756097561 -0.335898342064694 -0.6492 -0.8715 3553963 ACon1_000412 CC1CC(=O)C2=C(C1)C3OC3C4(O)C(O)c5c(O)cccc5C(=O)C24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E13 compound treatment 0.007 0.352 0.35 -0.365 -0.00739 -0.01 -0.714 -0.46091756097561 -0.577869714834795 -0.1355 -0.2006 2565 ACon1_000413 COC1=CC(=O)OC1(O)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E14 compound treatment 2.251 2.6 1.62 0.0 0.358 0.33 0.729 0.98208243902439 1.23127376136861 1.8395 0.891 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E15 compound treatment 0.096 0.441 0.44 -0.148 0.21 0.19 0.517 0.77008243902439 0.965481372626321 0.9226 0.8559 3614360 ACon1_000415 COC1CC(=O)C2(C3C(CC(C)C)NC2=O)C(C=C(C)C3C)/C=C(\C)/CCC(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E16 compound treatment -0.345 6.6E-5 0.0 -0.505 -0.147 -0.14 -1.991 -1.73791756097561 -2.17889273570226 -1.3367 -0.6123 3559688 ACon1_000416 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E17 mock treatment -0.225 0.12 0.12 -0.302 0.0556 0.05 1.009 1.26208243902439 1.57551530772408 1.0083 0.6378 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E18 mock treatment -0.585 -0.24 -0.24 -0.327 0.0306 0.03 -0.192 0.06108243902439 0.0765813555589518 -0.0771 -0.306 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E19 compound treatment -0.341 0.00407 0.0 -0.461 -0.103 -0.1 -0.253 8.24390243899797E-5 1.03356911406587E-4 -0.0529 -0.5519 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E20 compound treatment -0.141 0.204 0.2 -0.233 0.125 0.12 -0.214 0.03908243902439 0.0489991265385256 0.212 0.8891 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E21 compound treatment 0.019 0.364 0.36 -0.191 0.167 0.15 -0.207 0.04608243902439 0.0577752903177522 0.3314 0.8333 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E22 compound treatment -1.085 -0.74 -0.74 -1.659 -1.3 -1.21 -0.623 -0.36991756097561 -0.463779585704851 -1.3882 -0.9342 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E23 compound treatment -0.425 -0.0799 -0.08 -0.335 0.0226 0.02 -0.134 0.11908243902439 0.149298141158257 0.0524 0.3075 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 E24 compound treatment -0.593 -0.248 -0.25 -0.921 -0.563 -0.52 -0.441 -0.18791756097561 -0.235599327444962 -0.5795 -0.9299 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F01 mock treatment -0.641 -0.296 -0.29 0.219 0.577 0.53 -0.691 -0.43791756097561 -0.549033748131623 -0.1786 -0.2177 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F02 mock treatment -0.286 0.0591 0.06 -0.198 0.16 0.15 0.992 1.24508243902439 1.56100677193098 1.0205 0.6504 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F03 compound treatment -0.355 -0.00993 -0.01 -0.583 -0.225 -0.21 -0.361 -0.10791756097561 -0.135300312825231 -0.2043 -0.8208 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F04 compound treatment -0.943 -0.598 -0.59 -1.927 -1.57 -1.45 -1.232 -0.97891756097561 -1.22730583449756 -1.8908 -0.9488 3559407 ACon1_000424 CC1=C2CC([C@@H](O)CC2(C)CCC1)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F05 compound treatment -0.453 -0.108 -0.11 -0.252 0.106 0.1 0.072 0.32508243902439 0.407568103804065 0.2298 0.5312 3559280 ACon1_000425 COc1cc(cc(OC)c1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F06 compound treatment -0.423 -0.0779 -0.08 -0.076 0.282 0.26 -0.079 0.17408243902439 0.218253713709322 0.2318 0.6647 3555180 ACon1_000426 COc1ccc(CCc2cc(OC)cc(=O)o2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F07 compound treatment 0.313 0.658 0.65 0.635 0.993 0.92 0.527 0.78008243902439 0.978018749453788 1.473 0.9866 3559863 ACon1_000427 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4=NCCc5cc(OC)c(OC)cc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F08 compound treatment 0.132 0.477 0.47 1.005 1.36 1.26 0.257 0.51008243902439 0.639509575112194 1.3697 0.9197 3553794 ACon1_000428 CC[C@H](C)/C=C(\C)/C=C/C(=O)Cc1cc(O)c(C)c(O)c1C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F09 mock treatment -0.365 -0.0199 -0.02 -0.547 -0.189 -0.18 -0.088 0.16508243902439 0.206970074564603 0.0068 0.025 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F10 mock treatment -0.657 -0.312 -0.31 -0.899 -0.541 -0.5 -0.309 -0.05591756097561 -0.0701059533224054 -0.5089 -0.8574 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F11 compound treatment -0.541 -0.196 -0.19 -0.276 0.0816 0.08 -0.417 -0.16391756097561 -0.205509623059043 -0.1875 -0.6397 3554484 ACon1_000429 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4cccc(O)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F12 compound treatment 0.042 0.387 0.38 -0.182 0.176 0.16 0.214 0.46708243902439 0.585598854754088 0.6541 0.9094 3557861 ACon1_000430 CC(=CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F13 compound treatment 0.99 1.34 1.33 1.201 1.56 1.32 0.89 1.14308243902439 1.43312552829082 2.3539 0.9993 2060491 ACon1_000431 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F14 compound treatment 2.055 2.4 1.59 2.963 3.32 1.6 0.545 0.79808243902439 1.00058602774323 2.4224 0.9803 3552813 ACon1_000432 C[C@@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F15 compound treatment -1.081 -0.736 -0.73 -1.667 -1.31 -1.21 -1.039 -0.78591756097561 -0.985334461727454 -1.6913 -0.9804 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F16 compound treatment -0.512 -0.167 -0.17 -1.276 -0.918 -0.85 -1.002 -0.74891756097561 -0.938946167465828 -1.1289 -0.8836 3557942 ACon1_000434 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F17 mock treatment 0.076 0.421 0.42 -0.405 -0.0474 -0.04 -0.385 -0.13191756097561 -0.16539001721115 0.1209 0.2673 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F18 mock treatment -0.415 -0.0699 -0.07 -0.099 0.259 0.24 0.182 0.43508243902439 0.545479248906196 0.413 0.6887 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F19 compound treatment 0.625 0.97 0.96 0.229 0.587 0.54 0.31 0.56308243902439 0.705957672297766 1.278 0.9735 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F20 compound treatment -0.066 0.279 0.28 -0.125 0.233 0.22 -0.085 0.16808243902439 0.210731287612842 0.4062 0.9917 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F21 compound treatment -0.081 0.264 0.26 -0.184 0.174 0.16 0.008 0.26108243902439 0.32732889210828 0.4334 0.9644 3559533 ACon1_000437 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F22 compound treatment -0.507 -0.162 -0.16 -0.838 -0.48 -0.44 -0.058 0.19508243902439 0.244582205047002 -0.2086 -0.3916 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F23 compound treatment -0.655 -0.31 -0.31 -1.262 -0.904 -0.84 -0.556 -0.30291756097561 -0.379779160960826 -0.8806 -0.9081 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 F24 compound treatment 1.395 1.74 1.46 4.206 4.56 1.7 1.631 1.88408243902439 1.81745746347277 2.8714 0.9959 1003829 ACon1_000440 CCCCCCC(O)CC=CCCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G01 compound treatment 1.817 2.16 1.55 0.444 0.802 0.74 0.218 0.47108243902439 0.590613805485075 1.6642 0.916 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G02 compound treatment 0.264 0.609 0.61 1.086 1.44 1.28 -0.282 -0.02891756097561 -0.036255035888246 1.0699 0.7535 1119359 ACon1_000442 COc1cc2ccc(=O)oc2c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G03 mock treatment -0.611 -0.266 -0.26 -0.563 -0.205 -0.19 -0.462 -0.20891756097561 -0.261927818782642 -0.4137 -0.9898 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G04 mock treatment 0.904 1.25 1.24 1.435 1.79 1.37 0.537 0.79008243902439 0.990556126281254 2.0827 0.9913 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G05 compound treatment -0.14 0.205 0.2 -0.642 -0.284 -0.26 -0.329 -0.07591756097561 -0.0951807069773382 -0.0893 -0.2578 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G06 compound treatment -0.404 -0.0589 -0.06 -0.278 0.0796 0.07 -0.088 0.16508243902439 0.206970074564603 0.1282 0.5639 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G07 compound treatment -0.004 0.341 0.34 -0.228 0.13 0.12 -0.112 0.14108243902439 0.176880370178683 0.3672 0.916 3558163 ACon1_000445 CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC3OC(CO)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G08 compound treatment -1.155 -0.81 -0.81 -0.679 -0.321 -0.3 0.228 0.48108243902439 0.603151182312542 -0.2885 -0.275 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G09 compound treatment 0.37 0.715 0.71 -0.342 0.0156 0.01 -0.429 -0.17591756097561 -0.220554475252002 0.2914 0.3915 1658516 ACon1_000447 CC(C)(O)C(O)COc1c2ccoc2cc3oc(=O)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G10 compound treatment -0.063 0.282 0.28 0.45 0.808 0.75 0.275 0.52808243902439 0.662076853401634 0.9759 0.9407 3614362 ACon1_000448 CC(=CCC/C(=C/CCC1(C)Oc2c3CN(C(CCC(=O)O)C(=O)O)C(=O)c3cc(O)c2CC1O)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G11 compound treatment -0.648 -0.303 -0.3 -0.41 -0.0524 -0.05 -0.328 -0.07491756097561 -0.0939269692945916 -0.2561 -0.8024 3553707 ACon1_000449 CC(CCC1C(C)(O)C(=O)C=C2C(C)(C)CCCC12C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G12 compound treatment 0.455 0.8 0.8 0.044 0.402 0.37 -0.096 0.15708243902439 0.196940173102629 0.7876 0.8753 3554773 ACon1_000450 COc1c(O)ccc2oc3c(OC)c4OC5(C)CCCC(O5)c4c(O)c3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G13 compound treatment -0.631 -0.286 -0.28 -0.13 0.228 0.21 -0.893 -0.63991756097561 -0.802288760046444 -0.5056 -0.5766 3553974 ACon1_000451 CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G14 compound treatment -0.204 0.141 0.14 -0.755 -0.397 -0.37 -0.381 -0.12791756097561 -0.160375066480164 -0.2241 -0.527 3555129 ACon1_000452 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G15 compound treatment -0.087 0.258 0.26 -0.406 -0.0484 -0.04 -0.127 0.12608243902439 0.158074304937484 0.2135 0.7008 3557302 ACon1_000453 CC(=O)NCCc1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G16 compound treatment -0.117 0.228 0.23 -0.024 0.334 0.31 -0.109 0.14408243902439 0.180641583226923 0.4135 0.9762 3559689 ACon1_000454 CO[C@H]1C[C@@H]2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G17 compound treatment -0.209 0.136 0.14 -0.678 -0.32 -0.3 -0.297 -0.04391756097561 -0.0550611011294457 -0.125 -0.3779 3557386 ACon1_000455 CC1CCCC2OC2C(=O)c3c(O)cc(O)cc3CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G18 compound treatment -0.476 -0.131 -0.13 -0.547 -0.189 -0.18 -0.567 -0.31391756097561 -0.393570275471039 -0.4036 -0.8967 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G19 mock treatment -0.118 0.227 0.23 -0.193 0.165 0.15 -0.548 -0.29491756097561 -0.369749259498853 0.0049 0.0106 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G20 mock treatment -0.532 -0.187 -0.19 -0.203 0.155 0.14 -0.356 -0.10291756097561 -0.129031624411498 -0.0991 -0.3703 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G21 compound treatment 1.205 1.55 1.4 1.877 2.23 1.46 1.048 1.30108243902439 1.59451319336949 2.575 0.9986 3554304 ACon1_000457 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G22 compound treatment -0.398 -0.0529 -0.05 -0.415 -0.0574 -0.05 -0.202 0.05108243902439 0.0640439787314853 -0.0241 -0.2446 1059159 ACon1_000458 COC(=O)C1=COC(C)C2CN3CCC4(C3CC21)C(=O)Nc5ccccc54 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G23 compound treatment 0.425 0.77 0.77 -0.393 -0.0354 -0.03 0.178 0.43108243902439 0.540464298175209 0.7351 0.784 3557966 ACon1_000459 CC(=CCc1c(O)ccc2c(=O)c(coc12)c3ccc(O)cc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 G24 compound treatment -0.204 0.141 0.14 -0.224 0.134 0.12 -0.076 0.17708243902439 0.222014926757562 0.2806 0.9666 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H01 compound treatment -0.524 -0.179 -0.18 -0.554 -0.196 -0.18 -0.744 -0.49091756097561 -0.615481845317195 -0.563 -0.8454 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H02 compound treatment -0.481 -0.136 -0.14 -0.322 0.0356 0.03 -0.238 0.01508243902439 0.0189094221526062 -0.0481 -0.3424 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H03 mock treatment 0.758 1.1 1.1 -0.349 0.00861 0.01 0.11 0.36308243902439 0.455210135748438 0.9006 0.7584 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H04 mock treatment -0.143 0.202 0.2 -0.235 0.123 0.11 -0.054 0.19908243902439 0.249597155777988 0.3256 0.958 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H05 compound treatment -0.419 -0.0739 -0.07 -0.325 0.0326 0.03 -0.394 -0.14091756097561 -0.17667365635587 -0.127 -0.6556 3557937 ACon1_000463 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H06 compound treatment -0.256 0.0891 0.09 0.073 0.431 0.4 0.453 0.70608243902439 0.885242160930536 0.7924 0.8128 3559369 ACon1_000464 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H07 compound treatment -0.33 0.0151 0.01 -0.214 0.144 0.13 -0.265 -0.01191756097561 -0.0149414952815531 0.0768 0.5703 3059949 ACon1_000465 CC(=O)NCCc1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H08 compound treatment 0.561 0.906 0.9 0.46 0.818 0.76 0.759 1.01208243902439 1.26888589185101 1.6897 0.9765 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H09 compound treatment -0.034 0.311 0.31 -0.257 0.101 0.09 -0.366 -0.11291756097561 -0.141569001238964 0.1506 0.4271 3553991 ACon1_000467 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H10 compound treatment -0.529 -0.184 -0.18 -0.188 0.17 0.16 -0.64 -0.38691756097561 -0.485093126311544 -0.295 -0.5445 3557512 ACon1_000468 COc1cc(cc(OC)c1O)C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H11 compound treatment 0.048 0.393 0.39 1.382 1.74 1.36 -0.008 0.24508243902439 0.307269089184334 1.1897 0.8202 3557927 ACon1_000469 CCC/C=C/1\OC(=O)C2=C1CCC(O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H12 compound treatment 0.582 0.927 0.92 0.343 0.701 0.65 0.346 0.59908243902439 0.751092228876645 1.3403 0.9896 3558562 ACon1_000470 COc1cc2ccc(=O)oc2cc1OCC=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H13 compound treatment 1.266 1.61 1.42 0.37 0.728 0.67 -0.288 -0.03491756097561 -0.0437774619847259 1.1842 0.7527 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H14 compound treatment -0.524 -0.179 -0.18 -0.547 -0.189 -0.18 -0.448 -0.19491756097561 -0.244375491224189 -0.345 -0.9874 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H15 compound treatment -0.216 0.129 0.13 -0.151 0.207 0.19 -0.214 0.03908243902439 0.0489991265385256 0.2128 0.9037 3555928 ACon1_000473 Oc1cc2O/C(=C\c3cc(O)c(O)c(O)c3)/C(=O)c2c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H16 compound treatment 0.787 1.13 1.13 -0.345 0.0126 0.01 -0.057 0.19608243902439 0.245835942729748 0.7985 0.6931 3554273 ACon1_000474 CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H17 compound treatment -1.198 -0.853 -0.85 -1.355 -0.997 -0.92 -1.199 -0.94591756097561 -1.18593249096692 -1.7075 -0.9894 3554214 ACon1_000475 CCCC#CC#CCCCCCCCCCCC(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H18 compound treatment 0.523 0.868 0.86 0.409 0.767 0.71 0.288 0.54108243902439 0.67837544327734 1.2997 0.9943 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H19 mock treatment -0.284 0.0611 0.06 -0.253 0.105 0.1 -0.31 -0.05691756097561 -0.071359691005152 0.0498 0.3694 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H20 mock treatment -0.49 -0.145 -0.14 -0.251 0.107 0.1 -0.659 -0.40591756097561 -0.50891414228373 -0.32 -0.5948 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H21 compound treatment -2.402 -2.06 -2.04 -0.843 -0.485 -0.45 -0.871 -0.61791756097561 -0.774706531026018 -1.8874 -0.8454 3559440 ACon1_000477 COc1c(OC)c2c(C)cccc2oc1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H22 compound treatment -0.317 0.0281 0.03 0.258 0.616 0.57 0.335 0.58808243902439 0.737301114366432 0.7709 0.8268 3553645 ACon1_000478 CC(C)CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(O)C(O)/C=C/C2=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H23 compound treatment 0.769 1.11 1.11 0.422 0.78 0.72 0.006 0.25908243902439 0.324821416742787 1.2438 0.9136 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 H24 compound treatment -0.077 0.268 0.27 -0.526 -0.168 -0.16 -0.095 0.15808243902439 0.198193910785376 0.1783 0.4859 3558419 ACon1_000480 CC(=O)O[C@H]1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I01 compound treatment 2.07 2.42 1.6 0.416 0.774 0.72 0.25 0.50308243902439 0.630733411332968 1.6986 0.9138 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I02 compound treatment 7.27 7.62 1.96 1.111 1.47 1.29 0.662 0.91508243902439 1.14727333662458 2.5409 0.9719 3558086 ACon1_000482 CC1(C)OC2(C)CCC1CC2OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I03 compound treatment -0.092 0.253 0.25 -0.198 0.16 0.15 -0.268 -0.01491756097561 -0.0187027083297931 0.2198 0.7517 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I04 compound treatment -0.336 0.00907 0.01 0.326 0.684 0.63 -0.057 0.19608243902439 0.245835942729748 0.5126 0.7548 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I05 mock treatment -1.102 -0.757 -0.75 -0.721 -0.363 -0.34 -0.827 -0.57391756097561 -0.719542072985166 -1.0442 -0.9543 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I06 mock treatment -0.262 0.0831 0.08 -0.127 0.231 0.21 -0.317 -0.06391756097561 -0.0801358547843785 0.1247 0.5141 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I07 compound treatment -0.179 0.166 0.17 -0.469 -0.111 -0.1 -0.388 -0.13491756097561 -0.16915123025939 -0.0619 -0.24 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I08 compound treatment 0.02 0.365 0.36 -0.393 -0.0354 -0.03 -0.407 -0.15391756097561 -0.192972246231576 0.0792 0.1921 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I09 compound treatment -0.201 0.144 0.14 -0.364 -0.00639 -0.01 -0.181 0.07208243902439 0.0903724700691648 0.1315 0.7757 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I10 compound treatment -0.833 -0.488 -0.49 -0.873 -0.515 -0.48 -0.433 -0.17991756097561 -0.225569425982989 -0.6858 -0.9567 3552799 ACon1_000488 C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I11 compound treatment 0.473 0.818 0.81 0.429 0.787 0.73 0.18 0.43308243902439 0.542971773540703 1.2036 0.9871 3553147 ACon1_000489 C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(=C3C[C@]12C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I12 compound treatment -1.008 -0.663 -0.66 -1.48 -1.12 -1.04 -0.6 -0.34691756097561 -0.434943619001678 -1.2317 -0.9436 3554781 ACon1_000490 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C(C(C)(C)O)C(C)(CCC(=O)O)C4Cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I13 compound treatment 0.513 0.858 0.85 0.874 1.23 1.14 0.37 0.62308243902439 0.781181933262565 1.6019 0.9862 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I14 compound treatment -0.045 0.3 0.3 -0.69 -0.332 -0.31 -0.098 0.15508243902439 0.194432697737136 0.1068 0.2269 3614364 ACon1_000492 CC1OC(=O)C23C(=C)C4(C)OC(=O)C31OC4C5=C(CO)C6(CCC52C)C(O)CC(=O)OC6(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I15 compound treatment 0.437 0.782 0.78 0.749 1.11 1.02 0.469 0.72208243902439 0.905301963854482 1.5632 0.9938 3553199 ACon1_000493 CC(=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I16 compound treatment 0.139 0.484 0.48 0.483 0.841 0.78 -0.027 0.22608243902439 0.283448073212148 0.8909 0.9299 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I17 compound treatment -0.124 0.221 0.22 -0.065 0.293 0.27 0.044 0.29708243902439 0.372463448687159 0.4984 0.9765 3559677 ACon1_000495 C/C(=C\C(=O)O)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I18 compound treatment -0.172 0.173 0.17 0.124 0.482 0.45 0.051 0.30408243902439 0.381239612466386 0.5769 0.9436 804 ACon1_000496 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I19 compound treatment -0.171 0.174 0.17 -0.443 -0.0854 -0.08 -0.398 -0.14491756097561 -0.181688607086857 -0.0506 -0.1925 3557626 ACon1_000497 COc1ccc(CCC(=O)O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I20 compound treatment -0.283 0.0621 0.06 -0.045 0.313 0.29 -0.109 0.14408243902439 0.180641583226923 0.307 0.8855 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I21 mock treatment -0.158 0.187 0.19 -0.505 -0.147 -0.14 -0.255 -0.00191756097561002 -0.0024041184540867 0.0272 0.1179 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I22 mock treatment -0.695 -0.35 -0.35 -0.408 -0.0504 -0.05 -0.345 -0.09191756097561 -0.115240509901284 -0.2943 -0.7967 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I23 compound treatment 0.103 0.448 0.45 0.013 0.371 0.34 0.131 0.38408243902439 0.481538627086117 0.7333 0.9906 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 I24 compound treatment -0.102 0.243 0.24 -0.316 0.0416 0.04 0.223 0.47608243902439 0.596882493898808 0.5064 0.785 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J01 compound treatment 0.025 0.37 0.37 -0.253 0.105 0.1 -0.233 0.02008243902439 0.0251781105663394 0.2829 0.7419 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J02 compound treatment -0.305 0.0401 0.04 -1.484 -1.13 -1.04 -1.033 -0.77991756097561 -0.977812035630974 -1.1437 -0.7997 831700 ACon1_000502 CC(O)(CC(=O)O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J03 compound treatment -0.813 -0.468 -0.47 -0.928 -0.57 -0.53 -0.857 -0.60391756097561 -0.757154203467565 -1.0107 -0.9777 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J04 compound treatment -0.658 -0.313 -0.31 -1.191 -0.833 -0.77 -0.962 -0.70891756097561 -0.888796660155963 -1.1383 -0.935 3559332 ACon1_000504 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J05 mock treatment -0.343 0.00207 0.0 -0.494 -0.136 -0.13 -0.629 -0.37591756097561 -0.471302011801331 -0.3438 -0.7047 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J06 mock treatment -0.576 -0.231 -0.23 0.1 0.458 0.42 0.173 0.42608243902439 0.534195609761476 0.4205 0.5845 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J07 compound treatment 0.107 0.452 0.45 0.403 0.761 0.7 0.594 0.84708243902439 1.06201917419781 1.2793 0.9467 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J08 compound treatment -0.118 0.227 0.23 -0.365 -0.00739 -0.01 -0.957 -0.70391756097561 -0.88252797174223 -0.3831 -0.4206 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J09 compound treatment -0.159 0.186 0.18 -0.141 0.217 0.2 0.025 0.27808243902439 0.348642432714973 0.4239 0.9575 2060122 ACon1_000507 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J10 compound treatment -0.166 0.179 0.18 -0.23 0.128 0.12 0.207 0.46008243902439 0.576822690974862 0.504 0.8194 3558561 ACon1_000508 COc1cc2ccc(=O)oc2cc1OCC3OC3(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J11 compound treatment -0.225 0.12 0.12 -0.399 -0.0414 -0.04 -0.63 -0.37691756097561 -0.472555749484078 -0.226 -0.4623 3552721 ACon1_000509 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J12 compound treatment 0.268 0.613 0.61 0.303 0.661 0.61 -0.135 0.11808243902439 0.14804440347551 0.7905 0.9023 3555910 ACon1_000510 OC[C@H]1O[C@@H](Oc2cccc3cc4COC(=O)c4c(O)c23)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J13 compound treatment 0.497 0.842 0.84 0.56 0.918 0.85 0.461 0.71408243902439 0.895272062392509 1.4908 0.9996 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J14 compound treatment -0.358 -0.0129 -0.01 -0.787 -0.429 -0.4 -0.591 -0.33791756097561 -0.423659979856958 -0.4816 -0.8287 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J15 compound treatment -0.519 -0.174 -0.17 -0.863 -0.505 -0.47 -0.746 -0.49291756097561 -0.617989320682688 -0.7268 -0.9151 1038770 ACon1_000513 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J16 compound treatment -0.253 0.0921 0.09 -0.199 0.159 0.15 -0.236 0.01708243902439 0.0214168975180995 0.15 0.8602 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J17 compound treatment 0.909 1.25 1.25 1.904 2.26 1.47 1.61 1.86308243902439 1.81097676760808 2.6122 0.9884 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J18 compound treatment -0.071 0.274 0.27 -0.197 0.161 0.15 0.6 0.85308243902439 1.06954160029429 0.8607 0.7728 1062454 ACon1_000516 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J19 compound treatment -0.259 0.0861 0.09 -0.097 0.261 0.24 -0.115 0.13808243902439 0.173119157130443 0.2887 0.934 3559776 ACon1_000517 CCOC(=O)C1C(=O)C(=O)Nc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J20 compound treatment 0.672 1.02 1.01 0.234 0.592 0.55 0.515 0.76808243902439 0.962973897260828 1.456 0.9707 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J21 mock treatment -0.304 0.0411 0.04 -0.427 -0.0694 -0.06 -0.237 0.01608243902439 0.0201631598353529 -0.0019 -0.0239 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J22 mock treatment -0.167 0.178 0.18 -0.39 -0.0324 -0.03 -0.175 0.07808243902439 0.0978948961656447 0.1414 0.6915 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J23 compound treatment -0.624 -0.279 -0.28 -0.902 -0.544 -0.5 -0.403 -0.14991756097561 -0.18795729550059 -0.5596 -0.9247 3554751 ACon1_000519 COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 J24 compound treatment 0.477 0.822 0.82 0.266 0.624 0.58 0.11 0.36308243902439 0.455210135748438 1.068 0.9715 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K01 compound treatment 0.313 0.658 0.65 -1.279 -0.921 -0.85 -0.271 -0.01791756097561 -0.022463921378033 -0.1278 -0.1189 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K02 compound treatment 0.525 0.87 0.86 0.605 0.963 0.89 0.979 1.23208243902439 1.54470818205527 1.9058 0.9615 3558087 ACon1_000522 OCC1OC(Oc2cc(O)c(C(=O)O)c(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K03 compound treatment -0.533 -0.188 -0.19 -0.962 -0.604 -0.56 -0.609 -0.35591756097561 -0.446227258146398 -0.6886 -0.9309 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K04 compound treatment 0.608 0.953 0.95 -0.057 0.301 0.28 0.426 0.67908243902439 0.851391243496377 1.1993 0.9198 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K05 compound treatment -0.31 0.0351 0.03 -0.289 0.0686 0.06 -0.473 -0.21991756097561 -0.275718933292855 -0.1024 -0.3591 3558061 ACon1_000525 CC1CC(O)C2C(OC(=O)C2=C)C3=C(C)C(=O)CC13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K06 compound treatment -0.474 -0.129 -0.13 -0.343 0.0146 0.01 -0.584 -0.33091756097561 -0.414883816077732 -0.3057 -0.7037 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K07 mock treatment -0.197 0.148 0.15 0.116 0.474 0.44 -0.426 -0.17291756097561 -0.216793262203763 0.213 0.417 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K08 mock treatment -0.067 0.278 0.28 0.005 0.363 0.34 0.323 0.57608243902439 0.722256262173473 0.7704 0.9138 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K09 compound treatment 0.008 0.353 0.35 -0.058 0.3 0.28 0.534 0.78708243902439 0.986794913233014 0.9326 0.8607 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K10 compound treatment -0.476 -0.131 -0.13 -0.71 -0.352 -0.33 -0.27 -0.01691756097561 -0.0212101836952864 -0.2758 -0.7836 3554769 ACon1_000528 COc1c(O)cc2C(O)C(C)OC(=O)c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K11 compound treatment -0.505 -0.16 -0.16 -0.414 -0.0564 -0.05 -0.245 0.00808243902438999 0.0101332583733797 -0.1161 -0.6924 3557888 ACon1_000529 OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K12 compound treatment -0.962 -0.617 -0.61 -0.427 -0.0694 -0.06 -0.448 -0.19491756097561 -0.244375491224189 -0.5323 -0.8024 3614365 ACon1_000530 CC1(CO)CCCC2(C)C1C(=O)CC3=C2COC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K13 compound treatment 1.073 1.42 1.36 0.24 0.598 0.55 0.985 1.23808243902439 1.55223060815175 2.0021 0.9364 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K14 compound treatment 0.087 0.432 0.43 -0.417 -0.0594 -0.05 0.189 0.44208243902439 0.554255412685422 0.5362 0.7624 3557305 ACon1_000532 COc1cc(O)cc(C(=O)O)c1Oc2cc(C)cc(O)c2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K15 mock treatment 0.126 0.471 0.47 -0.183 0.175 0.16 -0.016 0.23708243902439 0.297239187722361 0.5353 0.9266 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K16 mock treatment 0.802 1.15 1.14 0.635 0.993 0.92 0.536 0.78908243902439 0.989302388598507 1.7602 0.9959 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K17 compound treatment -0.201 0.144 0.14 -0.399 -0.0414 -0.04 -0.723 -0.46991756097561 -0.589153353979515 -0.2796 -0.4602 3614366 ACon1_000533 CC(C)CC1NC(=O)C(C)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K18 compound treatment -0.397 -0.0519 -0.05 -0.098 0.26 0.24 -0.521 -0.26791756097561 -0.335898342064694 -0.085 -0.2041 3559135 ACon1_000534 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K19 compound treatment -0.304 0.0411 0.04 -0.398 -0.0404 -0.04 -0.446 -0.19291756097561 -0.241868015858695 -0.1377 -0.5548 3557598 ACon1_000535 COc1c(O)cc2oc(c(OC)c(=O)c2c1O)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K20 compound treatment -0.81 -0.465 -0.46 -0.068 0.29 0.27 -0.475 -0.22191756097561 -0.278226408658348 -0.2727 -0.4526 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K21 compound treatment -0.2 0.145 0.14 -0.155 0.203 0.19 0.201 0.45408243902439 0.569300264878382 0.5203 0.8439 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K22 compound treatment -0.41 -0.0649 -0.06 -0.466 -0.108 -0.1 -0.281 -0.02791756097561 -0.0350012982054994 -0.1154 -0.9281 1092498 ACon1_000538 OCC(O)c1nc(CO)cc2c3ccccc3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K23 mock treatment -0.202 0.143 0.14 -0.259 0.0986 0.09 -0.188 0.06508243902439 0.0815963062899383 0.1819 0.9694 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 K24 mock treatment -0.218 0.127 0.13 -0.232 0.126 0.12 0.023 0.27608243902439 0.34613495734948 0.3399 0.8798 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L01 compound treatment -0.294 0.0511 0.05 -0.317 0.0406 0.04 0.51 0.76308243902439 0.956705208847095 0.6034 0.6293 3554760 ACon1_000539 COc1c(CO)c(O)cc2C(O)CCC(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L02 compound treatment 0.317 0.662 0.66 -0.034 0.324 0.3 0.063 0.31608243902439 0.396284464659346 0.7818 0.948 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L03 compound treatment 0.624 0.969 0.96 0.945 1.3 1.21 0.604 0.85708243902439 1.07455655102528 1.873 0.9958 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L04 compound treatment 3.373 3.72 1.75 3.333 3.69 1.64 2.059 2.31208243902439 1.93225898621948 3.0736 0.9977 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L05 compound treatment -0.556 -0.211 -0.21 -0.797 -0.439 -0.41 -0.474 -0.22091756097561 -0.276972670975601 -0.5159 -0.9643 592 ACon1_000543 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L06 compound treatment -0.138 0.207 0.21 -0.117 0.241 0.22 0.088 0.34108243902439 0.427627906728012 0.4944 0.9429 3614367 ACon1_000544 C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L07 mock treatment -0.496 -0.151 -0.15 -0.425 -0.0674 -0.06 -0.296 -0.04291756097561 -0.053807363446699 -0.1537 -0.898 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L08 mock treatment -0.679 -0.334 -0.33 -0.51 -0.152 -0.14 0.577 0.83008243902439 1.04070563359112 0.3277 0.2975 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L09 compound treatment -0.103 0.242 0.24 -0.182 0.176 0.16 0.783 1.03608243902439 1.29897559623693 0.9828 0.7384 1024930 ACon1_000545 COc1c2C=CC(C)(C)Oc2cc3oc(=O)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L10 compound treatment 0.328 0.673 0.67 -0.516 -0.158 -0.15 -0.324 -0.07091756097561 -0.088912018563605 0.2503 0.3624 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L11 compound treatment 1.68 2.03 1.52 1.075 1.43 1.28 0.45 0.70308243902439 0.881480947882296 2.127 0.9776 3557749 ACon1_000547 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L12 compound treatment -1.066 -0.721 -0.72 -0.771 -0.413 -0.38 -0.632 -0.37891756097561 -0.475063224849571 -0.9091 -0.9658 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L13 compound treatment -1.072 -0.727 -0.72 -0.817 -0.459 -0.43 -0.374 -0.12091756097561 -0.151598902700937 -0.7504 -0.8805 1010501 ACon1_000549 Cn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L14 compound treatment 0.289 0.634 0.63 -0.051 0.307 0.28 -0.324 -0.07091756097561 -0.088912018563605 0.4765 0.6836 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L15 mock treatment 0.401 0.746 0.74 0.214 0.572 0.53 0.138 0.39108243902439 0.490314790865344 1.0169 0.9828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L16 mock treatment 1.034 1.38 1.35 1.271 1.63 1.34 1.145 1.39808243902439 1.63906504071617 2.496 0.9953 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L17 compound treatment -0.554 -0.209 -0.21 -0.713 -0.355 -0.33 -0.449 -0.19591756097561 -0.245629228906935 -0.4517 -0.9816 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L18 compound treatment -0.447 -0.102 -0.1 -0.297 0.0606 0.06 -0.408 -0.15491756097561 -0.194225983914323 -0.1382 -0.6113 3558019 ACon1_000552 CC1C2CC3C(CCC(=O)C)C3(C)CC2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L19 compound treatment -1.081 -0.736 -0.73 -0.733 -0.375 -0.35 -0.606 -0.35291756097561 -0.442466045098158 -0.8786 -0.9519 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L20 compound treatment -0.329 0.0161 0.02 -0.313 0.0446 0.04 -0.504 -0.25091756097561 -0.314584801458001 -0.1486 -0.4676 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L21 compound treatment -0.342 0.00307 0.0 -0.407 -0.0494 -0.05 -0.361 -0.10791756097561 -0.135300312825231 -0.1028 -0.7193 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L22 compound treatment -0.327 0.0181 0.02 -0.218 0.14 0.13 0.083 0.33608243902439 0.421359218314278 0.3283 0.7442 3558119 ACon1_000556 COc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L23 mock treatment 1.454 1.8 1.47 1.266 1.62 1.33 0.5 0.75308243902439 0.944167832019628 2.1643 0.9844 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 L24 mock treatment 0.073 0.418 0.42 -0.029 0.329 0.3 0.199 0.45208243902439 0.566792789512889 0.7429 0.97 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M01 compound treatment -0.061 0.284 0.28 0.087 0.445 0.41 0.151 0.40408243902439 0.50661338074105 0.6932 0.9746 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M02 compound treatment -0.358 -0.0129 -0.01 -1.288 -0.93 -0.86 -0.529 -0.27591756097561 -0.345928243526667 -0.7045 -0.7588 3558144 ACon1_000558 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M03 compound treatment -0.324 0.0211 0.02 -0.466 -0.108 -0.1 -0.472 -0.21891756097561 -0.274465195610108 -0.2043 -0.6973 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M04 compound treatment -0.429 -0.0839 -0.08 0.268 0.626 0.58 -0.41 -0.15691756097561 -0.196733459279816 0.1727 0.2797 353 ACon1_000560 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M05 compound treatment 0.016 0.361 0.36 0.073 0.431 0.4 1.37 1.62308243902439 1.72974389562659 1.4361 0.793 3555963 ACon1_000561 OCC1OC(OC(=O)c2c(O)cc(O)cc2/C=C/c3ccccc3)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M06 compound treatment -0.793 -0.448 -0.45 -0.414 -0.0564 -0.05 -0.086 0.16708243902439 0.209477549930096 -0.1663 -0.3361 3557538 ACon1_000562 CC1CC2OC(=O)C(=C)C2CC3OC31/C=C/C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M07 compound treatment -0.275 0.0701 0.07 -0.043 0.315 0.29 -0.132 0.12108243902439 0.15180561652375 0.2961 0.8816 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M08 compound treatment -0.538 -0.193 -0.19 -0.411 -0.0534 -0.05 -0.452 -0.19891756097561 -0.249390441955175 -0.2833 -0.8894 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M09 mock treatment -0.122 0.223 0.22 -0.453 -0.0954 -0.09 -0.118 0.13508243902439 0.169357944082203 0.1748 0.5973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M10 mock treatment -0.774 -0.429 -0.43 -0.551 -0.193 -0.18 -0.453 -0.19991756097561 -0.250644179637922 -0.4943 -0.9396 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M11 compound treatment -0.65 -0.305 -0.3 -0.636 -0.278 -0.26 -0.281 -0.02791756097561 -0.0350012982054994 -0.3441 -0.8613 3558160 ACon1_000565 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M12 compound treatment -1.108 -0.763 -0.76 -1.797 -1.44 -1.33 -1.118 -0.86491756097561 -1.08437973866444 -1.8335 -0.9762 3614369 ACon1_000566 COc1ccc(C(=O)Oc2ccc(C)c3CC(C)OC(=O)c23)c4CC(C)OC(=O)c14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M13 mock treatment -0.488 -0.143 -0.14 -0.778 -0.42 -0.39 -0.531 -0.27791756097561 -0.34843571889216 -0.5079 -0.9382 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M14 mock treatment -0.005 0.34 0.34 -1.299 -0.941 -0.87 -0.512 -0.25891756097561 -0.324614702919974 -0.4955 -0.5006 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M15 compound treatment -1.041 -0.696 -0.69 -1.187 -0.829 -0.77 -0.914 -0.66091756097561 -0.828617251384124 -1.3212 -0.9973 3554270 ACon1_000567 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M16 compound treatment -0.545 -0.2 -0.2 -0.106 0.252 0.23 -0.287 -0.03391756097561 -0.0425237243019792 -0.0048 -0.0155 3559697 ACon1_000568 CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M17 compound treatment 0.258 0.603 0.6 0.001 0.359 0.33 0.826 1.07908243902439 1.35288631659503 1.3189 0.8697 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M18 compound treatment -0.568 -0.223 -0.22 -0.572 -0.214 -0.2 -0.309 -0.05591756097561 -0.0701059533224054 -0.283 -0.9259 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M19 compound treatment -0.428 -0.0829 -0.08 -0.4 -0.0424 -0.04 -0.243 0.01008243902439 0.012640733738873 -0.063 -0.683 3553705 ACon1_000571 CC(CCC1(O)OC(=O)C=C1C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M20 compound treatment -0.848 -0.503 -0.5 -0.633 -0.275 -0.25 -0.693 -0.43991756097561 -0.551541223497116 -0.7543 -0.9586 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M21 compound treatment -0.686 -0.341 -0.34 -0.889 -0.531 -0.49 -0.349 -0.09591756097561 -0.120255460632271 -0.5492 -0.9011 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M22 compound treatment -0.482 -0.137 -0.14 -0.43 -0.0724 -0.07 -0.216 0.03708243902439 0.0464916511730324 -0.0905 -0.57 1023017 ACon1_000574 COc1cc2oc(=O)ccc2cc1CC=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M23 compound treatment -0.644 -0.299 -0.3 -1.015 -0.657 -0.61 -0.21 0.04308243902439 0.0540140772695122 -0.4918 -0.7238 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 M24 compound treatment -0.431 -0.0859 -0.09 -1.225 -0.867 -0.8 -0.47 -0.21691756097561 -0.271957720244615 -0.67 -0.7862 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N01 compound treatment -0.135 0.21 0.21 -0.098 0.26 0.24 0.15 0.40308243902439 0.505359643058304 0.5511 0.9227 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N02 compound treatment -0.344 0.00107 0.0 -0.959 -0.601 -0.56 -0.742 -0.48891756097561 -0.612974369951702 -0.6748 -0.8148 2118288 ACon1_000578 CCCC#C/C=C/1\OC(=O)C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N03 compound treatment -0.842 -0.497 -0.49 -1.076 -0.718 -0.67 0.038 0.29108243902439 0.364941022590679 -0.4586 -0.5065 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N04 compound treatment -0.115 0.23 0.23 -0.718 -0.36 -0.33 -0.32 -0.06691756097561 -0.0838970678326185 -0.109 -0.2639 3553187 ACon1_000580 CC(=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)/COC(=O)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N05 compound treatment 0.854 1.2 1.19 1.313 1.67 1.35 1.011 1.26408243902439 1.57650566233071 2.3755 0.9934 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N06 compound treatment -0.653 -0.308 -0.31 -0.125 0.233 0.22 0.189 0.44208243902439 0.554255412685422 0.2676 0.4001 1733214 ACon1_000582 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N07 compound treatment -0.083 0.262 0.26 -0.053 0.305 0.28 0.3 0.55308243902439 0.6934202954703 0.7136 0.9003 1043213 ACon1_000583 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N08 compound treatment -0.253 0.0921 0.09 -0.402 -0.0444 -0.04 -0.385 -0.13191756097561 -0.16539001721115 -0.0664 -0.3431 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N09 mock treatment -0.079 0.266 0.26 -0.34 0.0176 0.02 -0.062 0.19108243902439 0.239567254316015 0.3004 0.841 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N10 mock treatment -0.361 -0.0159 -0.02 -0.703 -0.345 -0.32 -0.286 -0.03291756097561 -0.0412699866192326 -0.2176 -0.674 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N11 compound treatment 0.571 0.916 0.91 0.7 1.06 0.98 0.356 0.60908243902439 0.763629605704112 1.5321 0.9949 3553255 ACon1_000585 CC(=O)CCCC1Cc2cccc(O)c2C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N12 compound treatment -0.085 0.26 0.26 -0.43 -0.0724 -0.07 -0.055 0.19808243902439 0.248343418095242 0.254 0.6963 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N13 mock treatment -0.887 -0.542 -0.54 -0.694 -0.336 -0.31 -0.631 -0.37791756097561 -0.473809487166824 -0.7644 -0.9773 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N14 mock treatment -0.227 0.118 0.12 -0.752 -0.394 -0.37 -0.447 -0.19391756097561 -0.243121753541442 -0.2834 -0.6241 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N15 compound treatment -0.901 -0.556 -0.55 -1.292 -0.934 -0.87 -0.989 -0.73591756097561 -0.922647577590122 -1.3513 -0.979 1303116 ACon1_000587 Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N16 compound treatment -0.636 -0.291 -0.29 -1.004 -0.646 -0.6 -0.928 -0.67491756097561 -0.846169578942577 -1.0011 -0.9303 3557944 ACon1_000588 C/C(=C\C(=O)O)/CCC1=C(C)CCC2C(C)(C)CCC[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N17 compound treatment 0.076 0.421 0.42 0.108 0.466 0.43 0.034 0.28708243902439 0.359926071859693 0.6984 0.9971 3559690 ACon1_000589 COC(=O)C1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1/C(=C\C)/CN2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N18 compound treatment -0.34 0.00507 0.01 -0.165 0.193 0.18 -0.103 0.15008243902439 0.188164009323403 0.2145 0.8273 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N19 compound treatment -0.283 0.0621 0.06 -0.463 -0.105 -0.1 -0.371 -0.11791756097561 -0.147837689652697 -0.1061 -0.5655 3559729 ACon1_000591 CC1=CC2(CC1CC=C23)CCC4[C@](C)(CO)[C@H](O)CC[C@]43C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N20 compound treatment -0.226 0.119 0.12 -0.434 -0.0764 -0.07 -0.449 -0.19591756097561 -0.245629228906935 -0.1143 -0.4058 3558252 ACon1_000592 COc1cc2occc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N21 compound treatment -0.325 0.0201 0.02 -0.16 0.198 0.18 -0.356 -0.10291756097561 -0.129031624411498 0.0427 0.1898 3553911 ACon1_000593 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N22 compound treatment -0.411 -0.0659 -0.07 -0.297 0.0606 0.06 -0.298 -0.04491756097561 -0.0563148388121923 -0.038 -0.3684 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N23 compound treatment -0.239 0.106 0.11 -0.286 0.0716 0.07 -0.125 0.12808243902439 0.160581780302977 0.1919 0.9441 3554077 ACon1_000595 Cc1cccc2oc(=O)c3c(O[C@@]4(C[C@]3(C)C=C)OC[C@@]5(C)O[C@H]54)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 N24 compound treatment 0.058 0.403 0.4 0.016 0.374 0.35 0.106 0.35908243902439 0.450195185017451 0.691 0.9944 3558467 ACon1_000596 Oc1cc(O)cc(CCCCCCC/C=C\C/C=C\CC=C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O01 compound treatment -0.483 -0.138 -0.14 -0.325 0.0326 0.03 0.394 0.64708243902439 0.811271637648484 0.4066 0.4939 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O02 compound treatment -0.012 0.333 0.33 0.892 1.25 1.16 0.048 0.30108243902439 0.377478399418146 1.0771 0.854 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O03 compound treatment 0.519 0.864 0.86 0.969 1.33 1.23 0.273 0.52608243902439 0.65956937803614 1.586 0.9684 3554994 ACon1_000599 COc1cc(O)cc(c2cc(O)c(O)cc2C)c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O04 compound treatment 0.392 0.737 0.73 0.051 0.409 0.38 0.448 0.70108243902439 0.878973472516803 1.149 0.9533 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O05 compound treatment -0.01 0.335 0.33 -0.889 -0.531 -0.49 -0.782 -0.52891756097561 -0.663123877261567 -0.4746 -0.533 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O06 compound treatment -0.262 0.0831 0.08 -0.118 0.24 0.22 -0.471 -0.21791756097561 -0.273211457927361 0.018 0.0499 3557819 ACon1_000602 COC(=O)/C=C(\C)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O07 compound treatment -0.057 0.288 0.29 0.02 0.378 0.35 0.046 0.29908243902439 0.374970924052653 0.5837 0.9939 3558175 ACon1_000603 CC1CC2OC(=O)C(=C)C2CC=C1CCC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O08 compound treatment -0.311 0.0341 0.03 -0.349 0.00861 0.01 0.197 0.45008243902439 0.564285314147396 0.3499 0.619 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O09 compound treatment 0.119 0.464 0.46 -0.302 0.0556 0.05 -0.104 0.14908243902439 0.186910271640656 0.404 0.8073 3614377 ACon1_000605 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O10 compound treatment -0.509 -0.164 -0.16 0.636 0.994 0.92 0.247 0.50008243902439 0.626972198284728 0.7991 0.7101 3558377 ACon1_000606 CC(=CCc1c(O)cc2occ(c3ccc(O)cc3O)c(=O)c2c1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O11 mock treatment -0.207 0.138 0.14 -0.45 -0.0924 -0.09 -0.255 -0.00191756097561002 -0.0024041184540867 0.0285 0.176 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O12 mock treatment -0.464 -0.119 -0.12 -0.525 -0.167 -0.15 -0.103 0.15008243902439 0.188164009323403 -0.0491 -0.1813 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O13 compound treatment -0.118 0.227 0.23 0.084 0.442 0.41 -0.363 -0.10991756097561 -0.137807788190724 0.2869 0.589 3558336 ACon1_000607 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O14 compound treatment -0.547 -0.202 -0.2 -0.495 -0.137 -0.13 -0.56 -0.30691756097561 -0.384794111691813 -0.4115 -0.9099 3559606 ACon1_000608 COc1cc(CCc2ccc3OCOc3c2)oc(=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O15 compound treatment -0.047 0.298 0.3 0.339 0.697 0.65 0.346 0.59908243902439 0.751092228876645 0.9771 0.9455 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O16 compound treatment 0.227 0.572 0.57 0.135 0.493 0.46 -0.057 0.19608243902439 0.245835942729748 0.7336 0.9535 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O17 compound treatment -0.153 0.192 0.19 -0.79 -0.432 -0.4 -0.808 -0.55491756097561 -0.69572105701298 -0.5226 -0.6334 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O18 compound treatment -0.251 0.0941 0.09 -0.376 -0.0184 -0.02 -0.653 -0.39991756097561 -0.50139171618725 -0.2453 -0.4807 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O19 compound treatment -0.594 -0.249 -0.25 -0.815 -0.457 -0.42 -0.752 -0.49891756097561 -0.625511746779168 -0.7485 -0.9417 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O20 compound treatment -0.582 -0.237 -0.24 -0.656 -0.298 -0.28 -0.687 -0.43391756097561 -0.544018797400636 -0.6096 -0.932 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O21 compound treatment 2.126 2.47 1.6 0.067 0.425 0.39 0.165 0.41808243902439 0.524165708299503 1.4558 0.8401 3557827 ACon1_000615 OC(CCCCc1ccc(O)cc1)CCc2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O22 compound treatment -0.541 -0.196 -0.19 -0.508 -0.15 -0.14 -0.197 0.05608243902439 0.0703126671452185 -0.1523 -0.6101 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O23 compound treatment -0.813 -0.468 -0.47 -0.408 -0.0504 -0.05 -0.539 -0.28591756097561 -0.358465620354133 -0.5025 -0.8529 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 O24 compound treatment -0.512 -0.167 -0.17 -0.235 0.123 0.11 -0.292 -0.03891756097561 -0.0487924127157124 -0.0584 -0.2824 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P01 compound treatment 0.774 1.12 1.11 0.363 0.721 0.67 -0.062 0.19108243902439 0.239567254316015 1.1659 0.8838 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P02 compound treatment -0.121 0.224 0.22 -0.744 -0.386 -0.36 -0.109 0.14408243902439 0.180641583226923 0.0263 0.0574 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P03 compound treatment -0.743 -0.398 -0.4 0.612 0.97 0.9 -0.531 -0.27791756097561 -0.34843571889216 0.0888 0.0853 3557780 ACon1_000621 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P04 compound treatment 0.826 1.17 1.16 0.174 0.532 0.49 0.595 0.84808243902439 1.06327291188056 1.5702 0.9507 1506 ACon1_000622 OCc1cc(=O)c(O)co1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P05 compound treatment 0.79 1.14 1.13 1.324 1.68 1.35 0.556 0.80908243902439 1.01437714225344 2.0158 0.993 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P06 compound treatment 0.986 1.33 1.32 0.614 0.972 0.9 0.757 1.01008243902439 1.26637841648552 2.0146 0.9872 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P07 compound treatment 0.737 1.08 1.08 0.82 1.18 1.09 0.717 0.97008243902439 1.21622890917565 1.9528 0.9984 1043213 ACon1_000625 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P08 compound treatment -0.501 -0.156 -0.16 -0.626 -0.268 -0.25 -0.347 -0.09391756097561 -0.117747985266778 -0.301 -0.9534 3557255 ACon1_000626 OC(=O)C(=C)Oc1cccc(c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P09 compound treatment -0.777 -0.432 -0.43 -0.302 0.0556 0.05 -0.369 -0.11591756097561 -0.145330214287204 -0.3021 -0.6621 3559264 ACon1_000627 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P10 compound treatment -0.578 -0.233 -0.23 -0.425 -0.0674 -0.06 -0.322 -0.06891756097561 -0.0864045431981117 -0.2196 -0.8615 3553970 ACon1_000628 Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)OC4OC(CO)C(O)C(O)C4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P11 mock treatment 0.146 0.491 0.49 0.242 0.6 0.56 0.051 0.30408243902439 0.381239612466386 0.8225 0.9888 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P12 mock treatment -0.344 0.00107 0.0 -0.098 0.26 0.24 0.213 0.46608243902439 0.584345117071342 0.4768 0.7546 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P13 compound treatment 0.438 0.783 0.78 0.086 0.444 0.41 -0.013 0.24008243902439 0.301000400770601 0.8604 0.9249 3553930 ACon1_000629 CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3CC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P14 compound treatment -0.169 0.176 0.18 -0.218 0.14 0.13 -0.486 -0.23291756097561 -0.292017523168561 0.0071 0.0195 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P15 compound treatment 0.675 1.02 1.01 0.027 0.385 0.36 0.04 0.29308243902439 0.367448497956173 1.0033 0.8832 3559851 ACon1_000631 COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P16 compound treatment -1.206 -0.861 -0.86 -0.905 -0.547 -0.51 -0.586 -0.33291756097561 -0.417391291443225 -1.0278 -0.9527 3554298 ACon1_000632 CCCCCCCCCC(O)CC(O)CC(O)CC1CC=CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P17 compound treatment -0.221 0.124 0.12 -0.257 0.101 0.09 0.182 0.43508243902439 0.545479248906196 0.4399 0.776 3559696 ACon1_000633 COc1cc2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc5OCOc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P18 compound treatment -0.657 -0.312 -0.31 -0.611 -0.253 -0.23 -0.615 -0.36191756097561 -0.453749684242878 -0.5765 -0.9647 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P19 compound treatment -1.136 -0.791 -0.79 -1.081 -0.723 -0.67 -0.654 -0.40091756097561 -0.502645453869997 -1.1309 -0.9845 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P20 compound treatment -0.733 -0.388 -0.39 -0.29 0.0676 0.06 -0.385 -0.13191756097561 -0.16539001721115 -0.282 -0.6647 3558052 ACon1_000636 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P21 compound treatment -0.291 0.0541 0.05 -0.169 0.189 0.17 -0.2 0.05308243902439 0.0665514540969786 0.1703 0.8756 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P22 compound treatment -0.84 -0.495 -0.49 -0.61 -0.252 -0.23 -0.655 -0.40191756097561 -0.503899191552744 -0.7099 -0.9567 3559888 ACon1_000638 Oc1ccc(c(O)c1)c2coc3cc(O)cc(O)c3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P23 compound treatment -2.203 -1.86 -1.85 -0.904 -0.546 -0.51 -0.867 -0.61391756097561 -0.769691580295032 -1.8029 -0.8735 3559630 ACon1_000639 CC(C)C(=O)OCC(=C)C1Oc2cc(ccc2C1OC(=O)C(C)C)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2291 P24 compound treatment -0.311 0.0341 0.03 -0.334 0.0236 0.02 -0.184 0.06908243902439 0.0866112570209249 0.0822 0.8602 3558347 ACon1_000640 C[C@]1(CCC[C@]2(C)C1CC[C@]3(CC4CC[C@]32O)CC4=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A01 compound treatment -0.174 0.171 0.17 -0.699 -0.341 -0.32 -0.322 -0.06891756097561 -0.0864045431981117 -0.1342 -0.3635 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A02 compound treatment -0.253 0.0921 0.09 -1.093 -0.735 -0.68 -0.084 0.16908243902439 0.211985025295589 -0.2179 -0.3031 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A03 compound treatment 0.196 0.541 0.54 0.535 0.893 0.83 0.178 0.43108243902439 0.540464298175209 1.0998 0.978 3558431 ACon1_000643 CC(=CCC(O)/C(=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A04 compound treatment -0.39 -0.0449 -0.04 -0.895 -0.537 -0.5 -0.996 -0.74291756097561 -0.931423741369349 -0.8508 -0.805 3559889 ACon1_000644 CCC(=O)OCC1=CCCC2C(C)(CCC(C)CC(=O)O)C(C)CCC21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A05 compound treatment 0.81 1.16 1.15 -0.297 0.0606 0.06 -0.057 0.19608243902439 0.245835942729748 0.8373 0.7122 3558559 ACon1_000645 COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A06 compound treatment 0.298 0.643 0.64 0.184 0.542 0.5 0.092 0.34508243902439 0.432642857458998 0.9084 0.9868 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A07 compound treatment 1.063 1.41 1.36 0.033 0.391 0.36 0.219 0.47208243902439 0.591867543167822 1.335 0.8751 3614399 ACon1_000647 COc1cc(O)cc2cc3C[C@](C)(O)CC(=O)c3c(O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A08 compound treatment -0.451 -0.106 -0.11 -0.508 -0.15 -0.14 -0.423 -0.16991756097561 -0.213032049155523 -0.2642 -0.9592 3559065 ACon1_000648 COc1cc2OC(C)(C)C=Cc2c3oc(cc(=O)c13)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A09 compound treatment 0.071 0.416 0.41 -0.253 0.105 0.1 0.093 0.34608243902439 0.433896595141745 0.5452 0.8979 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A10 compound treatment -0.6 -0.255 -0.25 -0.55 -0.192 -0.18 -0.32 -0.06691756097561 -0.0838970678326185 -0.2976 -0.9273 3559150 ACon1_000650 COc1ccc(cc1O)c2coc3cc(O)ccc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A11 compound treatment -0.768 -0.423 -0.42 -1.364 -1.01 -0.93 -0.248 0.00508243902438998 0.0063720453251398 -0.7771 -0.7601 3553959 ACon1_000651 CC1C2C(CC(C)(O)C3CC4OC4(C)C3(O)C2=O)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A12 compound treatment -0.698 -0.353 -0.35 -0.682 -0.324 -0.3 -0.651 -0.39791756097561 -0.498884240821757 -0.664 -0.9767 3614402 ACon1_000652 COc1ccc(cc1)C2Oc3cc(OC)ccc3CC2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A13 mock treatment -0.324 0.0211 0.02 -0.422 -0.0644 -0.06 -0.197 0.05608243902439 0.0703126671452185 0.0183 0.1932 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A14 mock treatment -0.48 -0.135 -0.13 -0.659 -0.301 -0.28 -0.241 0.01208243902439 0.0151482091043663 -0.2298 -0.7414 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A15 compound treatment -0.042 0.303 0.3 -0.414 -0.0564 -0.05 -0.197 0.05608243902439 0.0703126671452185 0.1844 0.5877 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A16 compound treatment -0.196 0.149 0.15 -0.068 0.29 0.27 -0.306 -0.05291756097561 -0.0663447402741654 0.2021 0.6446 3554158 ACon1_000654 CCC(C)C1NC(=O)c2c1n(C)c3ccccc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A17 compound treatment 1.108 1.45 1.37 0.305 0.663 0.61 0.987 1.24008243902439 1.55473808351724 2.0449 0.9452 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A18 compound treatment 0.333 0.678 0.67 0.036 0.394 0.36 0.059 0.31208243902439 0.391269513928359 0.8255 0.9594 3554284 ACon1_000656 CCCCCCC1OC(=O)CCCC(O)/C=C\C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A19 compound treatment -0.273 0.0721 0.07 -0.356 0.00161 0.0 -0.369 -0.11591756097561 -0.145330214287204 -0.0417 -0.2572 3551961 ACon1_000657 C/C(=C\C(=O)OC1C(=CC=C(C=O)C1(C)C)C)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A20 compound treatment -0.759 -0.414 -0.41 -0.618 -0.26 -0.24 -0.517 -0.26391756097561 -0.330883391333707 -0.5678 -0.9782 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A21 compound treatment -0.222 0.123 0.12 -0.63 -0.272 -0.25 -0.394 -0.14091756097561 -0.17667365635587 -0.177 -0.5341 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A22 compound treatment 0.533 0.878 0.87 0.572 0.93 0.86 0.235 0.48808243902439 0.611927346091768 1.3543 0.9884 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A23 compound treatment -0.369 -0.0239 -0.02 -0.062 0.296 0.27 -0.118 0.13508243902439 0.169357944082203 0.2421 0.75 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 A24 compound treatment 0.611 0.956 0.95 1.533 1.89 1.4 1.497 1.75008243902439 1.77445504493381 2.3796 0.9712 3559855 ACon1_000662 CC/C=C\C=C\C(O)C/C=C\CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B01 compound treatment 0.194 0.539 0.54 0.059 0.417 0.39 0.075 0.32808243902439 0.411329316852305 0.7696 0.9893 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B02 compound treatment 0.192 0.537 0.53 -0.298 0.0596 0.06 -0.117 0.13608243902439 0.17061168176495 0.4386 0.7788 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B03 compound treatment -0.341 0.00407 0.0 -0.795 -0.437 -0.4 -0.248 0.00508243902438998 0.0063720453251398 -0.2278 -0.5624 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B04 compound treatment 0.062 0.407 0.4 -0.611 -0.253 -0.23 -0.703 -0.44991756097561 -0.564078600324582 -0.2275 -0.3104 3557543 ACon1_000666 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(O)CC2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B05 compound treatment -0.006 0.339 0.34 -0.095 0.263 0.24 0.083 0.33608243902439 0.421359218314278 0.5783 0.9771 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B06 compound treatment -0.224 0.121 0.12 -0.115 0.243 0.22 0.539 0.79208243902439 0.993063601646747 0.7725 0.7535 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B07 compound treatment 0.051 0.396 0.39 -0.206 0.152 0.14 0.069 0.32208243902439 0.403806890755825 0.5415 0.9317 3558735 ACon1_000669 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(=O)OC3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B08 compound treatment -0.332 0.0131 0.01 -0.953 -0.595 -0.55 -0.478 -0.22491756097561 -0.281987621706588 -0.4736 -0.7646 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B09 compound treatment -0.484 -0.139 -0.14 -0.176 0.182 0.17 -0.315 -0.06191756097561 -0.0776283794188852 -0.0275 -0.1189 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B10 compound treatment -0.222 0.123 0.12 -0.322 0.0356 0.03 -0.25 0.00308243902438998 0.00386456995964652 0.0919 0.725 1417265 ACon1_000672 OC1CCn2c1nc3ccccc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B11 compound treatment 0.099 0.444 0.44 0.577 0.935 0.87 0.038 0.29108243902439 0.364941022590679 0.9652 0.9301 3557345 ACon1_000673 CC(=O)c1c(O)cc(O)c(C(=O)C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B12 compound treatment 0.399 0.744 0.74 -0.192 0.166 0.15 0.095 0.34808243902439 0.436404070507238 0.7676 0.8798 3558110 ACon1_000674 COc1cc(/C=C/c2ccccc2)cc(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B13 mock treatment 0.243 0.588 0.58 0.614 0.972 0.9 0.563 0.81608243902439 1.02315330603267 1.4477 0.9765 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B14 mock treatment -0.055 0.29 0.29 -0.282 0.0756 0.07 -0.363 -0.10991756097561 -0.137807788190724 0.1274 0.3892 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B15 compound treatment -0.605 -0.26 -0.26 -1.529 -1.17 -1.08 -0.685 -0.43191756097561 -0.541511322035143 -1.0881 -0.8778 3559744 ACon1_000675 CC(CCO)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CCC[C@@]12C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B16 compound treatment 0.088 0.433 0.43 -0.291 0.0666 0.06 0.186 0.43908243902439 0.550494199637182 0.602 0.8581 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B17 compound treatment -0.191 0.154 0.15 -0.287 0.0706 0.07 -0.198 0.05508243902439 0.0690589294624719 0.1661 0.921 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B18 compound treatment 0.201 0.546 0.54 0.026 0.384 0.36 0.232 0.48508243902439 0.608166133043528 0.8696 0.9779 3557359 ACon1_000678 CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n4c1nc5ccccc5c4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B19 compound treatment -0.1 0.245 0.24 -0.204 0.154 0.14 0.282 0.53508243902439 0.67085301718086 0.6101 0.8383 3558569 ACon1_000679 CC1=C(CCC2=CC(O)OC2=O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B20 compound treatment -0.105 0.24 0.24 -0.751 -0.393 -0.36 -0.214 0.03908243902439 0.0489991265385256 -0.0442 -0.1009 3557575 ACon1_000680 OCCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B21 compound treatment 0.16 0.505 0.5 0.002 0.36 0.33 -0.014 0.23908243902439 0.299746663087854 0.6552 0.9736 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B22 compound treatment -0.379 -0.0339 -0.03 -1.095 -0.737 -0.68 -0.329 -0.07591756097561 -0.0951807069773382 -0.4686 -0.679 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B23 compound treatment 0.277 0.622 0.62 0.042 0.4 0.37 0.124 0.37708243902439 0.472762463306891 0.8436 0.9788 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 B24 compound treatment -0.155 0.19 0.19 -0.412 -0.0544 -0.05 -0.269 -0.01591756097561 -0.0199564460125397 0.0685 0.3485 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C01 compound treatment 0.124 0.469 0.47 0.721 1.08 1.0 0.45 0.70308243902439 0.881480947882296 1.3548 0.9599 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C02 compound treatment -0.493 -0.148 -0.15 -0.392 -0.0344 -0.03 -0.176 0.07708243902439 0.0966411584828981 -0.0475 -0.2656 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C03 compound treatment -0.45 -0.105 -0.1 -0.96 -0.602 -0.56 -0.221 0.03208243902439 0.0402229627592991 -0.359 -0.6311 3558457 ACon1_000687 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C04 compound treatment 0.394 0.739 0.73 0.141 0.499 0.46 0.232 0.48508243902439 0.608166133043528 1.0419 0.9832 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C05 compound treatment -0.175 0.17 0.17 -0.891 -0.533 -0.49 -0.937 -0.68391756097561 -0.857453218087297 -0.6826 -0.68 3558579 ACon1_000689 COc1cc2OC(CC(=O)c2c(O)c1OC)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C06 compound treatment -0.44 -0.0949 -0.09 -0.523 -0.165 -0.15 -0.692 -0.43891756097561 -0.550287485814369 -0.4606 -0.7956 3554662 ACon1_000690 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C07 compound treatment -0.224 0.121 0.12 -0.455 -0.0974 -0.09 -0.283 -0.02991756097561 -0.0375087735709926 -0.0042 -0.0273 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C08 compound treatment -0.376 -0.0309 -0.03 -0.583 -0.225 -0.21 -0.557 -0.30391756097561 -0.381032898643573 -0.3582 -0.8225 3559200 ACon1_000692 COc1cc2occ(c3ccc4OCOc4c3)c(=O)c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C09 compound treatment 0.361 0.706 0.7 0.183 0.541 0.5 0.066 0.31908243902439 0.400045677707585 0.9252 0.9735 3554819 ACon1_000693 COc1cc(=O)oc(/C(=C/C(=C/C(=C/C2(C)OC(C)C3(C)OC32)/C)/C)/C)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C10 compound treatment -0.843 -0.498 -0.5 -1.03 -0.672 -0.62 -0.827 -0.57391756097561 -0.719542072985166 -1.0607 -0.9889 3558246 ACon1_000694 CC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C11 mock treatment -0.553 -0.208 -0.21 -0.241 0.117 0.11 -0.43 -0.17691756097561 -0.221808212934749 -0.1851 -0.575 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C12 mock treatment -0.244 0.101 0.1 0.092 0.45 0.42 -0.183 0.07008243902439 0.0878649947036716 0.3491 0.7985 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C13 compound treatment -0.601 -0.256 -0.25 0.269 0.627 0.58 0.574 0.82708243902439 1.03694442054288 0.7868 0.6475 3558047 ACon1_000695 COc1cc(CCO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C14 compound treatment -0.245 0.1 0.1 1.199 1.56 1.32 0.175 0.42808243902439 0.53670308512697 1.1271 0.7911 3614417 ACon1_000696 COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(O)c3c(=O)oc(C)cc3cc2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C15 mock treatment 0.026 0.371 0.37 0.843 1.2 1.11 0.879 1.13208243902439 1.41933441378061 1.6743 0.9098 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C16 mock treatment -0.242 0.103 0.1 0.034 0.392 0.36 -0.4 -0.14691756097561 -0.18419608245235 0.1622 0.3866 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C17 compound treatment 0.149 0.494 0.49 -0.214 0.144 0.13 -0.385 -0.13191756097561 -0.16539001721115 0.2649 0.495 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C18 compound treatment 0.252 0.597 0.59 0.94 1.3 1.2 0.394 0.64708243902439 0.811271637648484 1.5048 0.9606 3557265 ACon1_000698 CC(=CCC/C(=C/CC/C(=C/Cc1c(C)cc(O)cc1O)/C)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C19 compound treatment -0.489 -0.144 -0.14 -0.94 -0.582 -0.54 -0.583 -0.32991756097561 -0.413630078394985 -0.6328 -0.9111 3558297 ACon1_000699 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C20 compound treatment 0.001 0.346 0.34 -0.41 -0.0524 -0.05 -0.283 -0.02991756097561 -0.0375087735709926 0.149 0.4263 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C21 compound treatment -0.312 0.0331 0.03 0.127 0.485 0.45 -0.064 0.18908243902439 0.237059778950522 0.4149 0.8159 3558324 ACon1_000701 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C22 compound treatment -0.185 0.16 0.16 -0.04 0.318 0.29 0.179 0.43208243902439 0.541718035857956 0.5744 0.9023 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C23 compound treatment -1.064 -0.719 -0.71 -0.616 -0.258 -0.24 -0.752 -0.49891756097561 -0.625511746779168 -0.9119 -0.931 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 C24 compound treatment -0.293 0.0521 0.05 -0.02 0.338 0.31 -0.268 -0.01491756097561 -0.0187027083297931 0.1996 0.6287 3557293 ACon1_000704 COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D01 compound treatment -0.239 0.106 0.11 -0.803 -0.445 -0.41 -0.281 -0.02791756097561 -0.0350012982054994 -0.1974 -0.4622 3557722 ACon1_000705 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D02 compound treatment 3.756 4.1 1.79 1.398 1.76 1.37 1.432 1.68508243902439 1.75208943468595 2.8324 0.9933 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D03 compound treatment 0.359 0.704 0.7 -0.175 0.183 0.17 0.058 0.31108243902439 0.390015776245612 0.7269 0.8876 3558643 ACon1_000707 COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c4c(cc(=O)oc4c1)c5ccc(O)c(O)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D04 compound treatment 0.82 1.17 1.16 0.168 0.526 0.49 0.362 0.61508243902439 0.771152031800592 1.3949 0.9463 1279467 ACon1_000708 COC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D05 compound treatment 3.663 4.01 1.78 0.587 0.945 0.87 0.256 0.50908243902439 0.638255837429447 1.9011 0.9125 3614423 ACon1_000709 COC(=O)C1=CC=CC(CC(O)C(=O)O)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D06 compound treatment -0.75 -0.405 -0.4 -1.322 -0.964 -0.89 -0.847 -0.59391756097561 -0.744616826640099 -1.1779 -0.9573 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D07 compound treatment -0.21 0.135 0.13 -0.446 -0.0884 -0.08 -0.02 0.23308243902439 0.292224236991374 0.199 0.5996 3614426 ACon1_000711 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C5OC5C(=O)C4(C)C3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D08 compound treatment 1.583 1.93 1.5 1.757 2.11 1.44 1.056 1.30908243902439 1.59833008138485 2.6212 0.9991 3554252 ACon1_000712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D09 compound treatment -0.66 -0.315 -0.31 -0.594 -0.236 -0.22 -0.396 -0.14291756097561 -0.179181131721363 -0.4106 -0.9731 3558720 ACon1_000713 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D10 compound treatment -1.108 -0.763 -0.76 -0.818 -0.46 -0.43 -1.059 -0.80591756097561 -1.01040921538239 -1.2674 -0.9505 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D11 mock treatment -0.307 0.0381 0.04 -0.052 0.306 0.28 -0.104 0.14908243902439 0.186910271640656 0.2931 0.859 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D12 mock treatment -0.142 0.203 0.2 -0.323 0.0346 0.03 0.009 0.26208243902439 0.328582629791027 0.3248 0.8392 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D13 compound treatment 0.215 0.56 0.56 -0.147 0.211 0.2 -0.421 -0.16791756097561 -0.210524573790029 0.3125 0.4989 3614428 ACon1_000715 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D14 compound treatment 1.026 1.37 1.35 0.5 0.858 0.79 0.79 1.04308243902439 1.30775176001615 1.9908 0.9768 3553648 ACon1_000716 CC(C)CC1NC(=O)C2CCCN2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D15 mock treatment 0.008 0.353 0.35 -0.24 0.118 0.11 -0.052 0.20108243902439 0.252104631143482 0.4111 0.9224 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D16 mock treatment -0.428 -0.0829 -0.08 -0.168 0.19 0.18 -0.14 0.11308243902439 0.141775715061777 0.1356 0.5645 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D17 compound treatment 0.481 0.826 0.82 -0.063 0.295 0.27 -0.013 0.24008243902439 0.301000400770601 0.8054 0.8791 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D18 compound treatment -0.936 -0.591 -0.59 -0.904 -0.546 -0.51 -0.691 -0.43791756097561 -0.549033748131623 -0.9483 -0.9982 3558526 ACon1_000718 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D19 compound treatment -0.265 0.0801 0.08 -0.233 0.125 0.12 -0.072 0.18108243902439 0.227029877488549 0.2436 0.9132 3614429 ACon1_000719 COc1cccc2oc3OC=C(CO)C=C(C(=O)O)c3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D20 compound treatment 0.143 0.488 0.49 -0.234 0.124 0.11 -0.032 0.22108243902439 0.277179384798415 0.5063 0.8875 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D21 compound treatment -0.414 -0.0689 -0.07 -0.24 0.118 0.11 -0.2 0.05308243902439 0.0665514540969786 0.0617 0.4261 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D22 compound treatment 0.363 0.708 0.7 0.191 0.549 0.51 -0.168 0.08508243902439 0.106671059944871 0.7613 0.8704 3558751 ACon1_000722 COc1ccc(cc1OC)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)c3ccc(OC)c(OC)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D23 compound treatment -0.412 -0.0669 -0.07 -0.223 0.135 0.12 -0.153 0.10008243902439 0.125477125186071 0.106 0.5609 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 D24 compound treatment -0.681 -0.336 -0.33 -0.542 -0.184 -0.17 -0.252 0.00108243902438998 0.00135709459415323 -0.2906 -0.7748 3554061 ACon1_000724 CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E01 mock treatment -0.033 0.312 0.31 -0.53 -0.172 -0.16 -0.189 0.06408243902439 0.0803425686071917 0.1333 0.3724 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E02 mock treatment -0.711 -0.366 -0.36 -0.811 -0.453 -0.42 -0.55 -0.29691756097561 -0.372256734864346 -0.6673 -0.998 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E03 compound treatment -0.234 0.111 0.11 -0.533 -0.175 -0.16 -0.321 -0.06791756097561 -0.0851508055153651 -0.0792 -0.3699 3558404 ACon1_000725 CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@@]32C)C(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E04 compound treatment -0.064 0.281 0.28 -0.187 0.171 0.16 -0.247 0.00608243902438999 0.00762578300788645 0.2569 0.8002 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E05 compound treatment 1.435 1.78 1.47 0.168 0.526 0.49 0.527 0.78008243902439 0.978018749453788 1.692 0.9255 3558134 ACon1_000727 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E06 compound treatment -0.369 -0.0239 -0.02 -0.163 0.195 0.18 -0.433 -0.17991756097561 -0.225569425982989 -0.0399 -0.1378 2082654 ACon1_000728 COc1ccc(cc1OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E07 compound treatment -0.236 0.109 0.11 -0.394 -0.0364 -0.03 -0.276 -0.02291756097561 -0.0287326097917662 0.0266 0.2268 3557964 ACon1_000729 CC(=O)OC1C(O)C(O)C(CO)OC1Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E08 compound treatment 1.815 2.16 1.55 1.231 1.59 1.32 1.08 1.33308243902439 1.60962244535665 2.5886 0.9967 3614436 ACon1_000730 COc1ccc(cc1)c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E09 mock treatment 0.061 0.406 0.4 -0.036 0.322 0.3 0.005 0.25808243902439 0.32356767906004 0.5918 0.9914 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E10 mock treatment -0.18 0.165 0.16 0.253 0.611 0.57 0.038 0.29108243902439 0.364941022590679 0.6319 0.9122 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E11 compound treatment -0.102 0.243 0.24 0.163 0.521 0.48 -0.136 0.11708243902439 0.146790665792764 0.5026 0.8993 1102884 ACon1_000731 Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E12 compound treatment 0.726 1.07 1.06 0.817 1.17 1.09 0.572 0.82508243902439 1.03443694517739 1.8399 0.9998 3614439 ACon1_000732 Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C)c3Oc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E13 compound treatment -0.463 -0.118 -0.12 -1.989 -1.63 -1.51 -1.005 -0.75191756097561 -0.942707380514068 -1.4841 -0.8317 3558045 ACon1_000733 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E14 compound treatment -0.647 -0.302 -0.3 -0.22 0.138 0.13 -0.531 -0.27791756097561 -0.34843571889216 -0.3009 -0.6305 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E15 compound treatment 0.029 0.374 0.37 -0.264 0.0936 0.09 -0.111 0.14208243902439 0.17813410786143 0.3676 0.8724 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E16 compound treatment -0.013 0.332 0.33 -0.131 0.227 0.21 -0.365 -0.11191756097561 -0.140315263556217 0.2307 0.5552 3557786 ACon1_000736 CC1(C)[C@@H](O)C(=O)C[C@@]2(C)C1CC[C@@]3(C)O[C@](C)(CCC32)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E17 mock treatment -0.181 0.164 0.16 -0.34 0.0176 0.02 -0.449 -0.19591756097561 -0.245629228906935 -0.0382 -0.1295 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E18 mock treatment -0.606 -0.261 -0.26 -0.24 0.118 0.11 -0.258 -0.00491756097561002 -0.00616533150232663 -0.0905 -0.3214 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E19 compound treatment -0.535 -0.19 -0.19 -0.272 0.0856 0.08 -0.211 0.04208243902439 0.0527603395867656 -0.0328 -0.1551 3558389 ACon1_000737 CC(C)C1CC=C(C)C(O)CCC(=C)CC1OC2OC(COC(=O)C)C(O)C(O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E20 compound treatment -0.301 0.0441 0.04 -0.372 -0.0144 -0.01 -0.304 -0.05091756097561 -0.0638372649086722 -0.0193 -0.2451 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E21 compound treatment -1.068 -0.723 -0.72 -1.362 -1.0 -0.93 -0.526 -0.27291756097561 -0.342167030478427 -1.1494 -0.939 3558369 ACon1_000739 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E22 compound treatment -0.73 -0.385 -0.38 -0.765 -0.407 -0.38 -0.347 -0.09391756097561 -0.117747985266778 -0.5067 -0.9211 3558332 ACon1_000740 Oc1ccc(cc1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E23 compound treatment -0.711 -0.366 -0.36 -0.259 0.0986 0.09 -0.245 0.00808243902438999 0.0101332583733797 -0.1515 -0.4037 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 E24 compound treatment 1.25 1.6 1.42 3.77 4.13 1.67 0.607 0.86008243902439 1.07831776407352 2.405 0.9851 3557578 ACon1_000742 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)c(O)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F01 mock treatment 0.202 0.547 0.54 0.11 0.468 0.43 0.216 0.46908243902439 0.588106330119582 0.9035 0.9923 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F02 mock treatment 0.343 0.688 0.68 -0.265 0.0926 0.09 -0.251 0.00208243902438998 0.00261083227689987 0.446 0.6469 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F03 compound treatment -0.236 0.109 0.11 -0.665 -0.307 -0.28 -0.177 0.07608243902439 0.0953874208001514 -0.0467 -0.1462 3558651 ACon1_000743 C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F04 compound treatment -0.347 -0.00193 0.0 -0.788 -0.43 -0.4 -0.94 -0.68691756097561 -0.861214431135537 -0.7284 -0.7676 3614448 ACon1_000744 COC(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F05 compound treatment -0.079 0.266 0.26 -0.51 -0.152 -0.14 -0.417 -0.16391756097561 -0.205509623059043 -0.0474 -0.1304 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F06 compound treatment 0.235 0.58 0.58 -0.134 0.224 0.21 -0.137 0.11608243902439 0.145536928110017 0.5365 0.8519 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F07 compound treatment 0.233 0.578 0.57 0.25 0.608 0.56 0.448 0.70108243902439 0.878973472516803 1.1641 0.9771 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F08 compound treatment 0.089 0.434 0.43 -0.225 0.133 0.12 -0.077 0.17608243902439 0.220761189074816 0.4475 0.8949 3558636 ACon1_000748 CC(O)CCC1=CC[C@H]2OC(=O)C(=C)[C@@H]2CC1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F09 mock treatment 0.043 0.388 0.39 -0.086 0.272 0.25 -0.179 0.07408243902439 0.0928799454346581 0.4216 0.8973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F10 mock treatment -0.157 0.188 0.19 -0.567 -0.209 -0.19 -0.087 0.16608243902439 0.208223812247349 0.1162 0.3414 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F11 compound treatment 0.245 0.59 0.59 0.021 0.379 0.35 0.036 0.28908243902439 0.362433547225186 0.7503 0.97 3558527 ACon1_000749 COc1ccc2ccc(=O)oc2c1C(OC(=O)C)C(=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F12 compound treatment 0.708 1.05 1.05 0.318 0.676 0.63 0.17 0.42308243902439 0.530434396713236 1.2719 0.9563 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F13 compound treatment -0.452 -0.107 -0.11 -1.218 -0.86 -0.8 -0.886 -0.63291756097561 -0.793512596267218 -0.9795 -0.8672 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F14 compound treatment 0.328 0.673 0.67 0.153 0.511 0.47 0.06 0.31308243902439 0.392523251611106 0.8859 0.9752 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F15 compound treatment -0.656 -0.311 -0.31 -1.008 -0.65 -0.6 -0.77 -0.51691756097561 -0.648079025068607 -0.9003 -0.9607 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F16 compound treatment 0.424 0.769 0.76 0.817 1.17 1.09 0.92 1.17308243902439 1.47073765877322 1.9185 0.9677 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F17 mock treatment -0.248 0.0971 0.1 -0.543 -0.185 -0.17 -0.523 -0.26991756097561 -0.338405817430187 -0.2388 -0.6098 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F18 mock treatment 0.126 0.471 0.47 -0.09 0.268 0.25 -0.277 -0.02391756097561 -0.0299863474745129 0.3961 0.7465 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F19 compound treatment 0.01 0.355 0.35 -0.302 0.0556 0.05 -0.058 0.19508243902439 0.244582205047002 0.3747 0.8664 3554275 ACon1_000755 CCCCCC1=C(O)/C(=C/C(=O)O)/OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F20 compound treatment -0.233 0.112 0.11 -0.51 -0.152 -0.14 -0.212 0.04108243902439 0.0515066019040189 0.0126 0.0673 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F21 compound treatment 1.913 2.26 1.57 1.52 1.88 1.39 1.048 1.30108243902439 1.59451319336949 2.6304 0.9983 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F22 compound treatment -0.477 -0.132 -0.13 -0.918 -0.56 -0.52 -0.295 -0.04191756097561 -0.0525536257639524 -0.4057 -0.7543 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F23 compound treatment -0.16 0.185 0.18 -0.527 -0.169 -0.16 -0.222 0.03108243902439 0.0389692250765525 0.0382 0.1559 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 F24 compound treatment 0.389 0.734 0.73 0.08 0.438 0.41 0.297 0.55008243902439 0.68965908242206 1.0535 0.9729 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G01 compound treatment -0.324 0.0211 0.02 -0.85 -0.492 -0.46 -0.023 0.23008243902439 0.288463023943134 -0.0846 -0.1567 3558424 ACon1_000761 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)c3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G02 compound treatment -0.153 0.192 0.19 -0.077 0.281 0.26 0.043 0.29608243902439 0.371209711004413 0.4746 0.9652 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G03 mock treatment -0.178 0.167 0.17 -0.063 0.295 0.27 0.076 0.32908243902439 0.412583054535052 0.4916 0.9422 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G04 mock treatment 0.069 0.414 0.41 -0.121 0.237 0.22 -0.712 -0.45891756097561 -0.575362239469302 0.032 0.0432 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G05 compound treatment 0.102 0.447 0.44 -0.248 0.11 0.1 -0.129 0.12408243902439 0.15556682957199 0.405 0.8408 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G06 compound treatment 0.053 0.398 0.4 -0.415 -0.0574 -0.05 -0.207 0.04608243902439 0.0577752903177522 0.2312 0.5729 3557361 ACon1_000764 COc1cc(OC)c2c(=O)oc(CC(O)CC(=O)C)cc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G07 compound treatment 0.72 1.07 1.06 0.467 0.825 0.76 0.335 0.58808243902439 0.737301114366432 1.4778 0.9857 1080935 ACon1_000765 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G08 compound treatment -0.196 0.149 0.15 0.076 0.434 0.4 -0.363 -0.10991756097561 -0.137807788190724 0.2378 0.5289 3614466 ACon1_000766 COc1cc(O)c-2c(CCc3cc(OC)c(OC)cc32)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G09 compound treatment 0.252 0.597 0.59 0.399 0.757 0.7 0.154 0.40708243902439 0.51037459378929 1.0419 0.9917 3557989 ACon1_000767 CC(C)(O)C1Oc2cc3occ(c4ccc(O)cc4)c(=O)c3c(O)c2C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G10 compound treatment -0.519 -0.174 -0.17 0.106 0.464 0.43 0.6 0.85308243902439 1.06954160029429 0.7655 0.6569 3559169 ACon1_000768 COc1ccc(cc1)C(O)CNC(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G11 compound treatment -0.854 -0.509 -0.51 -0.756 -0.398 -0.37 -0.571 -0.31791756097561 -0.398585226202026 -0.7352 -0.9905 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G12 compound treatment -0.81 -0.465 -0.46 -0.674 -0.316 -0.29 -0.645 -0.39191756097561 -0.491361814725277 -0.7197 -0.9786 3555309 ACon1_000770 COc1cccc2C(=O)OC(c21)c3ccc4C(O)C(C)CC(=O)c4c3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G13 compound treatment -0.43 -0.0849 -0.08 -0.839 -0.481 -0.45 -1.023 -0.76991756097561 -0.965274658803508 -0.8634 -0.8095 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G14 compound treatment 0.022 0.367 0.36 -0.177 0.181 0.17 -0.201 0.05208243902439 0.065297716414232 0.3449 0.8482 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G15 compound treatment 0.073 0.418 0.42 0.318 0.676 0.63 0.263 0.51608243902439 0.647032001208674 0.9747 0.9832 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G16 compound treatment -0.303 0.0421 0.04 -0.516 -0.158 -0.15 -0.288 -0.03491756097561 -0.0437774619847259 -0.0858 -0.5408 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G17 compound treatment 0.044 0.389 0.39 -0.614 -0.256 -0.24 -0.478 -0.22491756097561 -0.281987621706588 -0.0766 -0.1433 3614471 ACon1_000775 COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G18 compound treatment -0.165 0.18 0.18 -0.392 -0.0344 -0.03 -0.046 0.20708243902439 0.259627057239962 0.2349 0.741 3558265 ACon1_000776 COc1ccc(cc1)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G19 mock treatment 0.358 0.703 0.7 0.422 0.78 0.72 -0.158 0.09508243902439 0.119208436772338 0.8891 0.8787 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G20 mock treatment -0.436 -0.0909 -0.09 -0.244 0.114 0.11 -0.218 0.03508243902439 0.0439841758075391 0.0339 0.2332 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G21 compound treatment 0.236 0.581 0.58 -0.038 0.32 0.3 -0.066 0.18708243902439 0.234552303585029 0.6398 0.927 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G22 compound treatment -0.563 -0.218 -0.22 -0.325 0.0326 0.03 -0.359 -0.10591756097561 -0.132792837459737 -0.1843 -0.7203 1047948 ACon1_000778 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(OC)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G23 compound treatment -0.831 -0.486 -0.48 -0.801 -0.443 -0.41 -0.77 -0.51691756097561 -0.648079025068607 -0.8901 -0.9818 3558322 ACon1_000779 CC(C)c1cc2C(O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 G24 compound treatment -0.183 0.162 0.16 -0.418 -0.0604 -0.06 -0.471 -0.21791756097561 -0.273211457927361 -0.097 -0.3012 3558519 ACon1_000780 OCC1C(O)CC2C1C(=O)OCC2=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H01 compound treatment 0.396 0.741 0.74 -0.05 0.308 0.28 0.047 0.30008243902439 0.376224661735399 0.807 0.9224 3614474 ACon1_000781 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C5(O)C(C)(CCC(=O)OC5(C)C)C4Cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H02 compound treatment 0.299 0.644 0.64 -0.22 0.138 0.13 -0.498 -0.24491756097561 -0.307062375361521 0.266 0.3686 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H03 mock treatment 0.068 0.413 0.41 0.14 0.498 0.46 -0.034 0.21908243902439 0.274671909432921 0.6617 0.9795 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H04 mock treatment -0.013 0.332 0.33 -0.157 0.201 0.19 0.075 0.32808243902439 0.411329316852305 0.5353 0.9573 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H05 compound treatment 0.368 0.713 0.71 -0.026 0.332 0.31 -0.02 0.23308243902439 0.292224236991374 0.7553 0.9144 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H06 compound treatment -0.409 -0.0639 -0.06 -0.483 -0.125 -0.12 -0.403 -0.14991756097561 -0.18795729550059 -0.2122 -0.9233 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H07 compound treatment 0.011 0.356 0.35 -0.136 0.222 0.21 -0.202 0.05108243902439 0.0640439787314853 0.3598 0.8688 3558479 ACon1_000785 C[C@@]1(CCC2=C(C1)C(=O)CC3[C@@](C)(CCC[C@@]32C)C(=O)O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H08 compound treatment -0.86 -0.515 -0.51 -0.764 -0.406 -0.38 -0.748 -0.49491756097561 -0.620496796048181 -0.8711 -0.9808 3553528 ACon1_000786 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(CO)C(C1)OC(=O)C(C)C)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H09 compound treatment 0.112 0.457 0.45 -0.246 0.112 0.1 0.122 0.37508243902439 0.470254987941397 0.5935 0.8965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H10 compound treatment -0.836 -0.491 -0.49 -0.311 0.0466 0.04 -0.244 0.00908243902438999 0.0113869960561264 -0.2503 -0.5107 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H11 compound treatment -0.489 -0.144 -0.14 -0.306 0.0516 0.05 -0.212 0.04108243902439 0.0515066019040189 -0.0253 -0.1586 3557942 ACon1_000789 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H12 compound treatment 1.824 2.17 1.55 1.055 1.41 1.27 0.639 0.89208243902439 1.11843736992141 2.277 0.9909 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H13 compound treatment 1.099 1.44 1.37 0.552 0.91 0.84 0.152 0.40508243902439 0.507867118423797 1.5708 0.9311 1712662 ACon1_000791 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H14 compound treatment 0.517 0.862 0.86 -0.342 0.0156 0.01 0.798 1.05108243902439 1.31778166147813 1.264 0.804 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H15 compound treatment -0.475 -0.13 -0.13 -0.356 0.00161 0.0 -0.579 -0.32591756097561 -0.408615127663999 -0.3096 -0.7225 3559760 ACon1_000793 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H16 compound treatment 1.331 1.68 1.44 -0.037 0.321 0.3 0.248 0.50108243902439 0.628225935967474 1.3649 0.8541 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H17 compound treatment 0.502 0.847 0.84 0.124 0.482 0.45 0.089 0.34208243902439 0.428881644410758 0.9913 0.9486 3557608 ACon1_000795 COC(=O)C1=CCC[C@@H]2[C@@]3(CC(OC3=O)c4ccoc4)[C@H](C)CC[C@]21C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H18 compound treatment 0.099 0.444 0.44 -0.291 0.0666 0.06 -0.092 0.16108243902439 0.201955123833616 0.4071 0.8319 3558016 ACon1_000796 COc1c(oc2c(OC)c(O)cc(O)c2c1=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H19 mock treatment -0.203 0.142 0.14 -0.005 0.353 0.33 -0.089 0.16408243902439 0.205716336881856 0.3888 0.9462 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H20 mock treatment 0.136 0.481 0.48 -0.043 0.315 0.29 -0.074 0.17908243902439 0.224522402123056 0.5739 0.9513 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H21 compound treatment 0.779 1.12 1.12 -0.073 0.285 0.26 0.405 0.65808243902439 0.825062752158697 1.2737 0.9009 3558356 ACon1_000797 CCC1C2O[C@H]3OC=C([C@H]4C=C[C@]2(OC1=O)[C@@H]34)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H22 compound treatment 0.256 0.601 0.6 0.064 0.422 0.39 0.016 0.26908243902439 0.337358793570253 0.7652 0.9692 3558238 ACon1_000798 CC(O)(C=C)C(O)CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H23 compound treatment -0.041 0.304 0.3 -0.047 0.311 0.29 -0.004 0.24908243902439 0.312284039915321 0.5209 0.9994 3553600 ACon1_000799 CC(C)C1NC(=O)/C(=C/c2nc[nH]c2C(C)(C)C=C)/NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 H24 compound treatment 0.356 0.701 0.7 0.258 0.616 0.57 0.072 0.32508243902439 0.407568103804065 0.9668 0.9782 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I01 compound treatment -0.438 -0.0929 -0.09 -1.719 -1.36 -1.26 -0.758 -0.50491756097561 -0.633034172875648 -1.1466 -0.8111 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I02 compound treatment -0.265 0.0801 0.08 -0.297 0.0606 0.06 -0.625 -0.37191756097561 -0.466287061070344 -0.1909 -0.4007 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I03 compound treatment -0.193 0.152 0.15 -0.596 -0.238 -0.22 -0.452 -0.19891756097561 -0.249390441955175 -0.1841 -0.5035 3558461 ACon1_000803 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(=O)C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I04 compound treatment -0.107 0.238 0.24 -0.485 -0.127 -0.12 -0.694 -0.44091756097561 -0.552794961179863 -0.2506 -0.409 3558501 ACon1_000804 CC(OC1OC(CO)C(O)C(O)C1O)C2C(O)CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I05 mock treatment -0.028 0.317 0.32 -0.529 -0.171 -0.16 -0.761 -0.50791756097561 -0.636795385923888 -0.2773 -0.3809 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I06 mock treatment -0.97 -0.625 -0.62 -0.296 0.0616 0.06 -0.322 -0.06891756097561 -0.0864045431981117 -0.3757 -0.5964 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I07 compound treatment -0.871 -0.526 -0.52 -0.646 -0.288 -0.27 -0.281 -0.02791756097561 -0.0350012982054994 -0.4763 -0.8098 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I08 compound treatment -0.538 -0.193 -0.19 -0.304 0.0536 0.05 -0.469 -0.21591756097561 -0.270703982561868 -0.2384 -0.7106 3614493 ACon1_000806 COc1cc(O)c2c(=O)cc(oc2c1OC)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I09 compound treatment -0.237 0.108 0.11 -1.243 -0.885 -0.82 -0.294 -0.04091756097561 -0.0512998880812057 -0.4409 -0.5322 3557926 ACon1_000807 CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I10 compound treatment 0.693 1.04 1.03 0.182 0.54 0.5 0.049 0.30208243902439 0.378732137100893 1.103 0.9134 3558796 ACon1_000808 COc1cc(O)c(OC)c2OC(CC(=O)c12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I11 compound treatment 0.3 0.645 0.64 -0.125 0.233 0.22 -0.112 0.14108243902439 0.176880370178683 0.5967 0.8534 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I12 compound treatment 1.37 1.72 1.45 3.512 3.87 1.65 1.558 1.81108243902439 1.79452514616195 2.8262 0.9963 2084711 ACon1_000810 CC(=CCc1c(O)ccc2ccc(=O)oc12)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I13 compound treatment -0.182 0.163 0.16 -1.447 -1.09 -1.01 -0.654 -0.40091756097561 -0.502645453869997 -0.779 -0.6842 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I14 compound treatment -0.317 0.0281 0.03 -0.906 -0.548 -0.51 -0.622 -0.36891756097561 -0.462525848022104 -0.5441 -0.7915 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I15 compound treatment -0.156 0.189 0.19 -0.468 -0.11 -0.1 -0.274 -0.02091756097561 -0.0262251344262729 0.0344 0.1594 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I16 compound treatment 0.464 0.809 0.8 0.338 0.696 0.64 1.305 1.55808243902439 1.70517239044346 1.8207 0.9139 3557723 ACon1_000814 CC1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I17 compound treatment 0.646 0.991 0.99 0.722 1.08 1.0 -0.045 0.20808243902439 0.260880794922708 1.2966 0.9082 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I18 compound treatment -0.613 -0.268 -0.27 0.027 0.385 0.36 0.127 0.38008243902439 0.476523676355131 0.3269 0.5016 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I19 compound treatment -0.337 0.00807 0.01 -0.583 -0.225 -0.21 -0.486 -0.23291756097561 -0.292017523168561 -0.2845 -0.7923 3614503 ACon1_000817 CC1OC(=O)CC2C(=CC3(O)CC(C)(C)CC213)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I20 compound treatment -0.738 -0.393 -0.39 -0.598 -0.24 -0.22 -0.412 -0.15891756097561 -0.19924093464531 -0.4691 -0.9538 1072848 ACon1_000818 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I21 mock treatment -0.082 0.263 0.26 -0.363 -0.00539 0.0 -0.2 0.05308243902439 0.0665514540969786 0.1865 0.6911 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I22 mock treatment 1.041 1.39 1.35 -0.304 0.0536 0.05 -0.21 0.04308243902439 0.0540140772695122 0.8401 0.6207 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I23 compound treatment -0.127 0.218 0.22 -0.512 -0.154 -0.14 -0.195 0.05808243902439 0.0728201425107118 0.0847 0.3139 3554830 ACon1_000819 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 I24 compound treatment 0.157 0.502 0.5 0.341 0.699 0.65 -0.111 0.14208243902439 0.17813410786143 0.7645 0.9142 3558502 ACon1_000820 COc1cc2OCOc2cc1c3coc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J01 compound treatment 0.058 0.403 0.4 -0.283 0.0746 0.07 -0.27 -0.01691756097561 -0.0212101836952864 0.259 0.6361 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J02 compound treatment 1.58 1.93 1.5 -0.021 0.337 0.31 -0.076 0.17708243902439 0.222014926757562 1.1743 0.7585 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J03 compound treatment 0.027 0.372 0.37 -0.218 0.14 0.13 0.096 0.34908243902439 0.437657808189985 0.5409 0.9207 3558664 ACon1_000823 CC(C(=O)O)[C@@]12CC[C@H](C)[C@H](CCC(=O)O)C(C)C2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J04 compound treatment 1.284 1.63 1.43 -0.023 0.335 0.31 0.864 1.11708243902439 1.40052834853941 1.8109 0.8953 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J05 mock treatment -0.409 -0.0639 -0.06 -0.393 -0.0354 -0.03 -0.448 -0.19491756097561 -0.244375491224189 -0.1967 -0.7725 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J06 mock treatment 0.021 0.366 0.36 -0.081 0.277 0.26 -0.314 -0.06091756097561 -0.0763746417361386 0.3139 0.6952 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J07 compound treatment 0.242 0.587 0.58 0.346 0.704 0.65 0.16 0.41308243902439 0.51789701988577 1.0121 0.9957 3558736 ACon1_000825 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(O)OC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J08 compound treatment -0.215 0.13 0.13 -0.414 -0.0564 -0.05 -0.473 -0.21991756097561 -0.275718933292855 -0.1147 -0.3711 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J09 compound treatment -0.019 0.326 0.32 -0.105 0.253 0.23 -0.001 0.25208243902439 0.31604525296356 0.5047 0.9904 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J10 compound treatment 2.042 2.39 1.59 2.024 2.38 1.49 0.905 1.15808243902439 1.45193159353202 2.6145 0.9992 3553747 ACon1_000828 CC(O)C(C)CC/C=C(\C)/C(O)C/C=C(\C)/C=C/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J11 compound treatment 0.458 0.803 0.8 0.193 0.551 0.51 0.313 0.56608243902439 0.709718885346006 1.1651 0.9843 3614508 ACon1_000829 COc1cc(oc(=O)c1C)/C(=C/C(C)CCCC(=O)O)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J12 compound treatment 0.499 0.844 0.84 0.761 1.12 1.04 0.465 0.71808243902439 0.900287013123496 1.6023 0.9961 3554483 ACon1_000830 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J13 compound treatment -0.107 0.238 0.24 0.21 0.568 0.53 1.166 1.41908243902439 1.64823835716516 1.3917 0.797 3559771 ACon1_000831 COc1ccc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J14 compound treatment 0.424 0.769 0.76 -0.067 0.291 0.27 -0.088 0.16508243902439 0.206970074564603 0.7163 0.8562 3557886 ACon1_000832 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J15 compound treatment -0.103 0.242 0.24 -0.51 -0.152 -0.14 -0.181 0.07208243902439 0.0903724700691648 0.1097 0.3739 3559738 ACon1_000833 COC1=CC(C)c2c(C)c3c(C)coc3c(OC)c2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J16 compound treatment 0.373 0.718 0.71 0.283 0.641 0.59 0.317 0.57008243902439 0.714733836076993 1.1673 0.9964 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J17 compound treatment -0.426 -0.0809 -0.08 -0.152 0.206 0.19 -0.3 -0.04691756097561 -0.0588223141776856 0.0295 0.1373 3558487 ACon1_000835 CC1=C2[C@H](O)C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J18 compound treatment -0.413 -0.0679 -0.07 -0.178 0.18 0.17 -0.443 -0.18991756097561 -0.238106802810455 -0.0804 -0.2698 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J19 compound treatment 0.059 0.404 0.4 0.119 0.477 0.44 -0.068 0.18508243902439 0.232044828219535 0.6207 0.9694 3614518 ACon1_000837 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2CO1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J20 compound treatment 0.583 0.928 0.92 -0.055 0.303 0.28 -0.213 0.04008243902439 0.0502528642212723 0.7235 0.7493 3558583 ACon1_000838 C/C=C(/C)\C(=O)OC1C(=C)C2CC31CCC4[C@](C)(CCC[C@]4(C)C3CC2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J21 mock treatment 0.108 0.453 0.45 -0.463 -0.105 -0.1 -0.212 0.04108243902439 0.0515066019040189 0.2334 0.5034 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J22 mock treatment 0.828 1.17 1.17 1.174 1.53 1.31 0.246 0.49908243902439 0.625718460601981 1.7904 0.9618 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J23 compound treatment -0.082 0.263 0.26 -0.3 0.0576 0.05 -0.157 0.09608243902439 0.120462174455084 0.2513 0.8583 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 J24 compound treatment 0.283 0.628 0.62 0.007 0.365 0.34 0.204 0.45708243902439 0.573061477926622 0.8863 0.9715 3614523 ACon1_000840 COC1C(=O)Nc2ccc3C=CC(C)(CCC=C(C)C)Oc3c2C1(O)c4ccc(OC)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K01 compound treatment -0.137 0.208 0.21 0.132 0.49 0.45 -0.211 0.04208243902439 0.0527603395867656 0.4116 0.8215 3558362 ACon1_000841 CC(=CCC/C(=C/C(O)C/C(=C/C(O)CC(C)(O)C=C)/C)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K02 compound treatment 0.008 0.353 0.35 -0.208 0.15 0.14 0.122 0.37508243902439 0.470254987941397 0.5541 0.9191 3558452 ACon1_000842 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K03 compound treatment -0.125 0.22 0.22 -0.079 0.279 0.26 0.138 0.39108243902439 0.490314790865344 0.5583 0.9373 3558557 ACon1_000843 C/C(=C/COc1c(OC2OC(CO)C(O)C(O)C2O)ccc3ccc(=O)oc13)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K04 compound treatment 0.074 0.419 0.42 -0.249 0.109 0.1 -0.227 0.02608243902439 0.0327005366628193 0.3175 0.7386 3558485 ACon1_000844 CC1[C@H]2C[C@@H]3[C@@H](CC[C@@]3(C)O)C(=C)CC2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K05 compound treatment 0.214 0.559 0.56 -0.597 -0.239 -0.22 -0.549 -0.29591756097561 -0.3710029971816 -0.0213 -0.0302 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K06 compound treatment 0.039 0.384 0.38 -0.557 -0.199 -0.18 -0.523 -0.26991756097561 -0.338405817430187 -0.0815 -0.1503 3614529 ACon1_000846 COc1ccc2C(=O)[C@]3(O)[C@@H](COc4cc5OCOc5cc43)Oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K07 mock treatment -0.019 0.326 0.32 -0.408 -0.0504 -0.05 -0.348 -0.09491756097561 -0.119001722949524 0.0915 0.2626 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K08 mock treatment -0.657 -0.312 -0.31 -0.247 0.111 0.1 0.26 0.51308243902439 0.643270788160434 0.2515 0.3486 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K09 compound treatment 0.614 0.959 0.95 0.133 0.491 0.45 0.283 0.53608243902439 0.672106754863607 1.2008 0.9592 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K10 compound treatment 0.549 0.894 0.89 0.666 1.02 0.95 0.501 0.75408243902439 0.945421569702375 1.6062 0.9996 3554481 ACon1_000848 CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K11 compound treatment -0.413 -0.0679 -0.07 -0.24 0.118 0.11 -0.472 -0.21891756097561 -0.274465195610108 -0.1346 -0.4443 3614533 ACon1_000849 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K12 compound treatment -0.182 0.163 0.16 -0.234 0.124 0.11 -0.329 -0.07591756097561 -0.0951807069773382 0.1047 0.4758 3558064 ACon1_000850 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K13 compound treatment 0.324 0.669 0.67 -0.467 -0.109 -0.1 0.048 0.30108243902439 0.377478399418146 0.5435 0.7045 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K14 compound treatment -0.035 0.31 0.31 -0.06 0.298 0.28 1.503 1.75608243902439 1.77646755882116 1.3627 0.7471 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K15 mock treatment -0.117 0.228 0.23 -0.335 0.0226 0.02 -0.009 0.24408243902439 0.306015351501587 0.3197 0.8381 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K16 mock treatment -0.175 0.17 0.17 -0.446 -0.0884 -0.08 -0.568 -0.31491756097561 -0.394824013153786 -0.1776 -0.4062 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K17 compound treatment 0.031 0.376 0.37 -0.965 -0.607 -0.56 -0.259 -0.00591756097561003 -0.00741906918507327 -0.1131 -0.1675 3558293 ACon1_000853 CC(C)c1cc2CCC3C(C)(CO)C[C@H](O)C[C@]3(C)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K18 compound treatment 0.099 0.444 0.44 -0.815 -0.457 -0.42 -0.309 -0.05591756097561 -0.0701059533224054 -0.0301 -0.0489 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K19 compound treatment -0.355 -0.00993 -0.01 -0.561 -0.203 -0.19 -0.666 -0.41291756097561 -0.517690306062957 -0.4133 -0.7502 3553957 ACon1_000855 CC1C(OC(=O)C)C(OC(=O)C)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K20 compound treatment -0.219 0.126 0.13 -0.123 0.235 0.22 -0.556 -0.30291756097561 -0.379779160960826 -0.0215 -0.0472 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K21 compound treatment -0.492 -0.147 -0.15 -0.352 0.00561 0.01 -0.144 0.10908243902439 0.136760764330791 -0.0024 -0.0119 3558329 ACon1_000857 COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC(O)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K22 compound treatment -0.285 0.0601 0.06 -0.387 -0.0294 -0.03 -0.253 8.24390243899797E-5 1.03356911406587E-4 0.0188 0.2869 3553545 ACon1_000858 CC(C)C(OC(=O)C)c1nc2ccccc2c(=O)n1C3CC4(OC3=O)C5N(O)C(C)(C)C(=O)N5c6ccccc64 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K23 mock treatment 0.084 0.429 0.43 0.032 0.39 0.36 0.156 0.40908243902439 0.512882069154783 0.7507 0.9898 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 K24 mock treatment -0.251 0.0941 0.09 -0.306 0.0516 0.05 -0.317 -0.06391756097561 -0.0801358547843785 0.0353 0.2673 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L01 compound treatment 0.36 0.705 0.7 0.783 1.14 1.06 -0.098 0.15508243902439 0.194432697737136 1.1267 0.8786 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L02 compound treatment -0.011 0.334 0.33 -0.383 -0.0254 -0.02 -0.217 0.03608243902439 0.0452379134902857 0.2043 0.608 3558654 ACon1_000860 COc1cc(/C=C/C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L03 compound treatment 3.922 4.27 1.8 4.183 4.54 1.7 1.947 2.20008243902439 1.90505647580549 3.1199 0.9989 3558666 ACon1_000861 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(=C)[C@H]1CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L04 compound treatment 2.967 3.31 1.71 -0.358 -3.9E-4 0.0 -0.54 -0.28691756097561 -0.35971935803688 0.7821 0.4464 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L05 compound treatment 1.614 1.96 1.51 0.565 0.923 0.85 0.364 0.61708243902439 0.773659507166085 1.8104 0.9539 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L06 compound treatment 0.16 0.505 0.5 -0.229 0.129 0.12 -0.079 0.17408243902439 0.218253713709322 0.4847 0.865 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L07 mock treatment -0.038 0.307 0.31 -0.186 0.172 0.16 -0.175 0.07808243902439 0.0978948961656447 0.3245 0.9069 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L08 mock treatment -0.213 0.132 0.13 -0.488 -0.13 -0.12 -0.201 0.05208243902439 0.065297716414232 0.0438 0.2306 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L09 compound treatment 1.692 2.04 1.52 0.332 0.69 0.64 0.67 0.92308243902439 1.15730323808656 1.917 0.9501 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L10 compound treatment 0.903 1.25 1.24 0.122 0.48 0.44 0.022 0.27508243902439 0.344881219666733 1.1719 0.8603 3558492 ACon1_000866 COc1cc(CC2COC(C2COC(=O)C)c3ccc(O)c(OC)c3)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L11 compound treatment 1.135 1.48 1.38 0.153 0.511 0.47 0.326 0.57908243902439 0.726017475221713 1.4901 0.9135 3614544 ACon1_000867 CC1CCC/C=C/2\C3C(OC(=C3C(=O)O1)\C=C\C=C\C=C\C(=O)O)C=CC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L12 compound treatment 0.07 0.415 0.41 -0.351 0.00661 0.01 -0.175 0.07808243902439 0.0978948961656447 0.2983 0.7033 3554712 ACon1_000868 COC(=O)c1cc(OC)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L13 compound treatment 0.592 0.937 0.93 0.958 1.32 1.22 -0.236 0.01708243902439 0.0214168975180995 1.2535 0.8173 3559773 ACon1_000869 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L14 compound treatment 0.125 0.47 0.47 -0.402 -0.0444 -0.04 -0.313 -0.05991756097561 -0.0751209040533919 0.2027 0.4267 3558463 ACon1_000870 CC(C)c1cc2C3OC(=O)[C@@]4(CCCC(C)(C)C4[C@H]3O)c2c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L15 mock treatment 0.435 0.78 0.78 0.779 1.14 1.05 0.37 0.62308243902439 0.781181933262565 1.5064 0.9891 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L16 mock treatment 1.13 1.48 1.38 -0.552 -0.194 -0.18 -0.524 -0.27091756097561 -0.339659555112934 0.497 0.3468 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L17 compound treatment 0.118 0.463 0.46 0.099 0.457 0.42 -0.038 0.21508243902439 0.269656958701935 0.6656 0.9777 3555854 ACon1_000871 OC(=O)CCC1OC(=O)C(=C1c2ccccc2)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L18 compound treatment 0.24 0.585 0.58 -0.29 0.0676 0.06 0.007 0.26008243902439 0.326075154425534 0.5602 0.8365 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L19 compound treatment 0.003 0.348 0.35 0.068 0.426 0.39 -0.109 0.14408243902439 0.180641583226923 0.5316 0.9584 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L20 compound treatment -0.139 0.206 0.2 -0.176 0.182 0.17 -0.047 0.20608243902439 0.258373319557215 0.3645 0.9849 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L21 compound treatment -0.486 -0.141 -0.14 -0.309 0.0486 0.05 0.283 0.53608243902439 0.672106754863607 0.3331 0.4842 3554505 ACon1_000875 CO[C@@H]1C[C@]2(CC=C)[C@@H](C)[C@@H](OC2=C(OC)C1=O)c3cc4OCOc4c(OC)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L22 compound treatment 2.539 2.88 1.66 2.418 2.78 1.54 1.902 2.15508243902439 1.8936099699039 2.9441 0.9963 3558750 ACon1_000876 CC(=CCCC(=CCCC(=CC1C(O)C=C(C)C1=O)C)C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L23 mock treatment 0.744 1.09 1.08 0.413 0.771 0.71 0.26 0.51308243902439 0.643270788160434 1.4085 0.973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 L24 mock treatment -0.139 0.206 0.2 -0.167 0.191 0.18 -0.299 -0.04591756097561 -0.0575685764949389 0.1869 0.6762 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M01 compound treatment 0.14 0.485 0.48 -0.157 0.201 0.19 -0.124 0.12908243902439 0.161835517985723 0.4791 0.8847 2112282 ACon1_000877 CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M02 compound treatment -0.068 0.277 0.28 -0.672 -0.314 -0.29 -0.269 -0.01591756097561 -0.0199564460125397 -0.0206 -0.0512 3558453 ACon1_000878 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M03 compound treatment -0.347 -0.00193 0.0 -0.583 -0.225 -0.21 -0.366 -0.11291756097561 -0.141569001238964 -0.2033 -0.8063 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M04 compound treatment 0.256 0.601 0.6 -0.156 0.202 0.19 -0.183 0.07008243902439 0.0878649947036716 0.5035 0.7965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M05 compound treatment 0.217 0.562 0.56 -0.138 0.22 0.2 -0.802 -0.54891756097561 -0.6881986309165 0.0427 0.0469 3553941 ACon1_000881 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C43CO4)[C@@]2(CO)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M06 compound treatment -0.266 0.0791 0.08 0.239 0.597 0.55 -0.031 0.22208243902439 0.278433122481161 0.5251 0.842 3559292 ACon1_000882 CO[C@H]1C[C@@H](Oc2c(CC=C(C)C)c(OC)cc(OC)c12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M07 compound treatment -0.538 -0.193 -0.19 -0.636 -0.278 -0.26 -0.561 -0.30791756097561 -0.386047849374559 -0.4825 -0.9606 3557952 ACon1_000883 COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M08 compound treatment 0.725 1.07 1.06 0.434 0.792 0.73 0.51 0.76308243902439 0.956705208847095 1.5897 0.9889 3554197 ACon1_000884 CCC1(C)C(O)C2=COC(=C(C)C2=CC1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M09 mock treatment -0.03 0.315 0.31 -0.308 0.0496 0.05 -0.227 0.02608243902439 0.0327005366628193 0.2262 0.7109 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M10 mock treatment 0.064 0.409 0.41 -0.457 -0.0994 -0.09 -0.171 0.08208243902439 0.102909846896631 0.2411 0.5613 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M11 compound treatment -0.221 0.124 0.12 -0.763 -0.405 -0.38 -0.276 -0.02291756097561 -0.0287326097917662 -0.1621 -0.4092 3553758 ACon1_000885 CC(O)CCCC1Cc2cccc(O)c2C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M12 compound treatment -0.557 -0.212 -0.21 -1.613 -1.26 -1.16 -0.584 -0.33091756097561 -0.414883816077732 -1.0323 -0.8245 3554988 ACon1_000886 COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M13 mock treatment 0.068 0.413 0.41 -0.437 -0.0794 -0.07 0.327 0.58008243902439 0.727271212904459 0.6145 0.733 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M14 mock treatment -0.145 0.2 0.2 -0.662 -0.304 -0.28 -0.354 -0.10091756097561 -0.126524149046004 -0.1209 -0.3291 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M15 compound treatment -0.224 0.121 0.12 -0.602 -0.244 -0.23 -0.378 -0.12491756097561 -0.156613853431924 -0.1516 -0.5046 3614568 ACon1_000887 CC1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CC(=O)OC4C)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M16 compound treatment 0.279 0.624 0.62 -0.367 -0.00939 -0.01 -0.393 -0.13991756097561 -0.175419918673123 0.2519 0.3907 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M17 compound treatment 0.176 0.521 0.52 -0.257 0.101 0.09 -0.143 0.11008243902439 0.138014502013537 0.4326 0.7949 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M18 compound treatment -0.656 -0.311 -0.31 -0.183 0.175 0.16 -0.088 0.16508243902439 0.206970074564603 0.0344 0.0847 3557955 ACon1_000890 CC(O)CCCCCCCCCC(Cc1cc(O)cc(O)c1)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M19 compound treatment -0.315 0.0301 0.03 -0.306 0.0516 0.05 -0.359 -0.10591756097561 -0.132792837459737 -0.0318 -0.2206 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M20 compound treatment -0.345 6.6E-5 0.0 -0.319 0.0386 0.04 -0.296 -0.04291756097561 -0.053807363446699 -0.0104 -0.1608 3554267 ACon1_000892 CCCCCC(O)C1OC(=O)CCC(O)C(O)/C=C/C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M21 compound treatment -0.216 0.129 0.13 -1.027 -0.669 -0.62 -0.569 -0.31591756097561 -0.396077750836532 -0.5124 -0.6863 3558351 ACon1_000893 Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M22 compound treatment -0.377 -0.0319 -0.03 -0.935 -0.577 -0.53 0.547 0.80008243902439 1.00309350310872 0.2521 0.2217 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M23 compound treatment 0.247 0.592 0.59 0.471 0.829 0.77 0.096 0.34908243902439 0.437657808189985 1.0355 0.9755 3558422 ACon1_000895 CC(=O)OC1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 M24 compound treatment 0.08 0.425 0.42 0.262 0.62 0.57 0.07 0.32308243902439 0.405060628438572 0.8091 0.9871 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N01 compound treatment 0.419 0.764 0.76 0.926 1.28 1.19 -0.029 0.22408243902439 0.280940597846654 1.287 0.8948 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N02 compound treatment -0.345 6.6E-5 0.0 -0.332 0.0256 0.02 -0.289 -0.03591756097561 -0.0450311996674725 -0.0123 -0.2411 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N03 compound treatment -0.314 0.0311 0.03 -0.861 -0.503 -0.47 -0.493 -0.23991756097561 -0.300793686947788 -0.4249 -0.7648 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N04 compound treatment 2.792 3.14 1.7 1.879 2.24 1.46 1.275 1.52808243902439 1.69341065620122 2.8007 0.9977 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N05 compound treatment 0.283 0.628 0.62 0.27 0.628 0.58 -0.172 0.08108243902439 0.101656109213885 0.7547 0.8786 3614580 ACon1_000901 CC1=CCC2C(C)(CO)CCCC2(C)C1CC34OC4C(O)C(=CC3O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N06 compound treatment 0.077 0.422 0.42 -0.068 0.29 0.27 -0.174 0.07908243902439 0.0991486338483913 0.4543 0.8948 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N07 compound treatment 0.022 0.367 0.36 0.454 0.812 0.75 0.062 0.31508243902439 0.395030726976599 0.8726 0.9443 3557311 ACon1_000903 CC(C)CCC(O)C1CC(CO)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N08 compound treatment -0.134 0.211 0.21 -0.666 -0.308 -0.29 -0.35 -0.09691756097561 -0.121509198315018 -0.1139 -0.304 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N09 mock treatment 0.173 0.518 0.52 -0.446 -0.0884 -0.08 -0.241 0.01208243902439 0.0151482091043663 0.2589 0.4961 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N10 mock treatment -0.398 -0.0529 -0.05 -0.652 -0.294 -0.27 -0.111 0.14208243902439 0.17813410786143 -0.0849 -0.2574 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N11 compound treatment 7.074 7.42 1.96 4.966 5.32 1.74 2.917 3.17008243902439 2.09472493458688 3.3448 0.9972 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N12 compound treatment -0.192 0.153 0.15 -0.128 0.23 0.21 -0.303 -0.04991756097561 -0.0625835272259255 0.1745 0.649 3558740 ACon1_000906 COc1ccc(cc1)c2oc3cc(OC)cc(O)c3c(=O)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N13 mock treatment -0.204 0.141 0.14 0.785 1.14 1.06 0.439 0.69208243902439 0.867689833372083 1.1928 0.8672 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N14 mock treatment -0.678 -0.333 -0.33 -0.508 -0.15 -0.14 -0.298 -0.04491756097561 -0.0563148388121923 -0.304 -0.8364 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N15 compound treatment 0.218 0.563 0.56 -0.457 -0.0994 -0.09 -0.237 0.01608243902439 0.0201631598353529 0.2817 0.4962 3559368 ACon1_000907 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(CO)C5CCC43C)C12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N16 compound treatment 0.246 0.591 0.59 -0.228 0.13 0.12 -0.025 0.22808243902439 0.285955548577641 0.5736 0.8634 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N17 compound treatment -0.258 0.0871 0.09 0.041 0.399 0.37 0.237 0.49008243902439 0.614434821457261 0.6178 0.8557 3553640 ACon1_000909 CC(C)Cc1cnc(CCC(=O)N)c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N18 compound treatment 0.37 0.715 0.71 0.037 0.395 0.37 0.488 0.74108243902439 0.929122979826668 1.1578 0.9447 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N19 compound treatment -0.151 0.194 0.19 -0.259 0.0986 0.09 -0.337 -0.08391756097561 -0.105210608439311 0.1034 0.4344 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N20 compound treatment -0.715 -0.37 -0.37 -1.25 -0.892 -0.83 -1.14 -0.88691756097561 -1.11196196768486 -1.3314 -0.9289 3558712 ACon1_000912 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(COC(=O)C(C)C)C(O)C1)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N21 compound treatment 0.412 0.757 0.75 -0.012 0.346 0.32 0.265 0.51808243902439 0.649539476574167 0.9943 0.952 3614600 ACon1_000913 CC(CCO)/C=C(\C)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N22 compound treatment -2.135 -1.79 -1.78 -1.063 -0.705 -0.65 -0.539 -0.28591756097561 -0.358465620354133 -1.6114 -0.8353 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N23 compound treatment 2.105 2.45 1.6 1.316 1.67 1.35 0.62 0.87308243902439 1.09461635394923 2.3336 0.9884 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 N24 compound treatment -0.014 0.331 0.33 -0.102 0.256 0.24 0.093 0.34608243902439 0.433896595141745 0.5772 0.972 3557301 ACon1_000916 CC(OC(=O)c1cccc(O)c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O01 compound treatment 0.753 1.1 1.09 0.162 0.52 0.48 0.168 0.42108243902439 0.527926921347743 1.2129 0.9297 3557296 ACon1_000917 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O02 compound treatment -0.335 0.0101 0.01 -0.781 -0.423 -0.39 -0.704 -0.45091756097561 -0.565332338007329 -0.547 -0.795 3497202 ACon1_000918 CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)CCCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O03 compound treatment -0.156 0.189 0.19 -0.354 0.00361 0.0 -0.022 0.23108243902439 0.289716761625881 0.2777 0.8041 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O04 compound treatment 1.644 1.99 1.51 1.061 1.42 1.28 0.912 1.16508243902439 1.46070775731125 2.4545 0.9974 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O05 compound treatment 0.166 0.511 0.51 -0.455 -0.0974 -0.09 0.178 0.43108243902439 0.540464298175209 0.5533 0.7405 1045397 ACon1_000921 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O06 compound treatment -0.422 -0.0769 -0.08 -0.793 -0.435 -0.4 -0.614 -0.36091756097561 -0.452495946560131 -0.5382 -0.881 1046376 ACon1_000922 COc1c(O)c2c(=O)cc(oc2c(OC)c1OC)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O07 compound treatment -0.526 -0.181 -0.18 -0.736 -0.378 -0.35 -0.582 -0.32891756097561 -0.412376340712239 -0.5442 -0.9544 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O08 compound treatment -1.062 -0.717 -0.71 -1.165 -0.807 -0.75 -0.697 -0.44391756097561 -0.556556174228103 -1.1645 -0.9925 3554706 ACon1_000924 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O09 compound treatment -0.114 0.231 0.23 -0.23 0.128 0.12 0.34 0.59308243902439 0.743569802780166 0.6301 0.8005 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O10 compound treatment -0.462 -0.117 -0.12 -0.515 -0.157 -0.15 -0.423 -0.16991756097561 -0.213032049155523 -0.2743 -0.9688 3558809 ACon1_000926 CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O11 mock treatment -0.301 0.0441 0.04 0.072 0.43 0.4 -0.047 0.20608243902439 0.258373319557215 0.4041 0.8484 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O12 mock treatment -0.516 -0.171 -0.17 -0.115 0.243 0.22 -0.311 -0.05791756097561 -0.0726134286878987 -0.0103 -0.0355 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O13 compound treatment -0.222 0.123 0.12 -0.296 0.0616 0.06 -0.03 0.22308243902439 0.279686860163908 0.2651 0.8535 3553125 ACon1_000927 C[C@H]1CC(O)C23COC(=O)[C@@H]3CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O14 compound treatment -0.111 0.234 0.23 -0.179 0.179 0.17 0.506 0.75908243902439 0.951690258116108 0.7793 0.7843 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O15 compound treatment -0.211 0.134 0.13 -0.269 0.0886 0.08 0.089 0.34208243902439 0.428881644410758 0.3719 0.8147 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O16 compound treatment 0.205 0.55 0.55 0.565 0.923 0.85 -0.145 0.10808243902439 0.135507026648044 0.8872 0.867 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O17 compound treatment 0.095 0.44 0.44 -0.63 -0.272 -0.25 0.033 0.28608243902439 0.358672334176946 0.3141 0.507 3557287 ACon1_000931 CCCC1CCC(C(=C)C(=O)O)C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O18 compound treatment -0.22 0.125 0.12 -0.369 -0.0114 -0.01 -0.34 -0.08691756097561 -0.108971821487551 0.0028 0.0168 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O19 compound treatment -0.272 0.0731 0.07 -0.742 -0.384 -0.36 -0.457 -0.20391756097561 -0.255659130368908 -0.3112 -0.7005 1062453 ACon1_000933 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O20 compound treatment 0.07 0.415 0.41 -0.242 0.116 0.11 0.524 0.77708243902439 0.974257536405548 0.8625 0.8111 3557279 ACon1_000934 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3cc(OC)cc(OC)c3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O21 compound treatment -0.233 0.112 0.11 -0.399 -0.0414 -0.04 0.299 0.55208243902439 0.692166557787553 0.4418 0.6293 3558330 ACon1_000935 CC(C)(O)C1Cc2cc(CCc3cc(O)cc(O)c3)ccc2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O22 compound treatment -0.57 -0.225 -0.22 -0.164 0.194 0.18 -0.384 -0.13091756097561 -0.164136279528404 -0.1204 -0.3644 3553357 ACon1_000936 CC(=O)OC/C/1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O23 compound treatment -1.482 -1.14 -1.13 -0.68 -0.322 -0.3 -0.411 -0.15791756097561 -0.197987196962563 -0.9392 -0.7921 3558425 ACon1_000937 COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 O24 compound treatment -0.279 0.0661 0.07 -0.728 -0.37 -0.34 -0.186 0.06708243902439 0.0841037816554316 -0.1115 -0.3105 3555971 ACon1_000938 OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P01 compound treatment 2.216 2.56 1.62 3.837 4.19 1.68 -0.156 0.09708243902439 0.121715912137831 1.972 0.8454 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P02 compound treatment -0.778 -0.433 -0.43 -0.388 -0.0304 -0.03 -0.486 -0.23291756097561 -0.292017523168561 -0.4333 -0.8319 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P03 compound treatment 0.405 0.75 0.75 0.061 0.419 0.39 0.027 0.28008243902439 0.351149908080466 0.857 0.941 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P04 compound treatment 0.129 0.474 0.47 -0.58 -0.222 -0.21 -0.493 -0.23991756097561 -0.300793686947788 -0.0204 -0.0343 3554701 ACon1_000942 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P05 compound treatment 0.646 0.991 0.99 0.41 0.768 0.71 -0.1 0.15308243902439 0.191925222371643 1.09 0.8862 3614622 ACon1_000943 CC1=CCC2C(C)(CCCC2(C)C1CC34OC4C(O)C(=C)C(O)C3O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P06 compound treatment -0.728 -0.383 -0.38 -0.812 -0.454 -0.42 -0.719 -0.46591756097561 -0.584138403248529 -0.8 -0.9823 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P07 compound treatment 1.729 2.07 1.53 1.717 2.07 1.43 1.386 1.63908243902439 1.7356092630411 2.7142 0.9968 3553189 ACon1_000945 CC(=CCC/C(=C\CC\C(=C\CC\C(=C\CO)\CO)\C)/C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P08 compound treatment -0.3 0.0451 0.04 -0.568 -0.21 -0.19 -0.585 -0.33191756097561 -0.416137553760479 -0.3269 -0.708 3554753 ACon1_000946 COc1c(C)cc(C(=O)/C=C/c2ccccc2)c(O)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P09 compound treatment 0.068 0.413 0.41 0.305 0.663 0.61 0.199 0.45208243902439 0.566792789512889 0.9186 0.9869 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P10 compound treatment -0.143 0.202 0.2 -0.218 0.14 0.13 -0.215 0.03808243902439 0.047745388855779 0.2182 0.8956 3558180 ACon1_000948 COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc21)c3ccc(OC)c(OC)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P11 mock treatment -0.06 0.285 0.28 -0.133 0.225 0.21 -0.13 0.12308243902439 0.154313091889244 0.3728 0.971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P12 mock treatment -0.618 -0.273 -0.27 -0.379 -0.0214 -0.02 -0.142 0.11108243902439 0.139268239696284 -0.0877 -0.2869 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P13 compound treatment 1.091 1.44 1.37 0.01 0.368 0.34 0.174 0.42708243902439 0.535449347444223 1.2955 0.8591 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P14 compound treatment 0.098 0.443 0.44 -0.33 0.0276 0.03 -0.543 -0.28991756097561 -0.36348057108512 0.0592 0.1036 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P15 compound treatment -0.074 0.271 0.27 0.091 0.449 0.42 -0.322 -0.06891756097561 -0.0864045431981117 0.3455 0.6874 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P16 compound treatment -0.171 0.174 0.17 -0.389 -0.0314 -0.03 -0.196 0.05708243902439 0.0715664048279652 0.1244 0.6567 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P17 compound treatment -0.047 0.298 0.3 0.69 1.05 0.97 -0.584 -0.33091756097561 -0.414883816077732 0.4916 0.4486 3558567 ACon1_000953 CC1=C(CCC2=CC(=O)OC2O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P18 compound treatment 0.281 0.626 0.62 -0.541 -0.183 -0.17 0.017 0.27008243902439 0.338612531253 0.4568 0.6269 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P19 compound treatment 0.07 0.415 0.41 -0.696 -0.338 -0.31 -0.664 -0.41091756097561 -0.515182830697463 -0.2401 -0.3286 3614634 ACon1_000955 CC(C)C1NC(=O)C(CC2(O)C3NC(Cc4ccccc4)C(=O)N3c5ccccc52)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P20 compound treatment 0.027 0.372 0.37 -0.129 0.229 0.21 -0.035 0.21808243902439 0.273418171750175 0.4936 0.9749 3551644 ACon1_000956 CC1Oc2c3C=CC(C)(C)Oc3c4c(cc(=O)oc4c2C(=O)C1C)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P21 compound treatment 0.131 0.476 0.47 -0.111 0.247 0.23 -0.207 0.04608243902439 0.0577752903177522 0.4384 0.8294 3554485 ACon1_000957 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P22 compound treatment -0.08 0.265 0.26 -0.143 0.215 0.2 -0.332 -0.07891756097561 -0.0989419200255782 0.2097 0.6087 3554963 ACon1_000958 COc1cc(O)c(C(=O)O)c(c1)c2c(C)cc(oc2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P23 compound treatment -0.56 -0.215 -0.21 -0.162 0.196 0.18 -0.348 -0.09491756097561 -0.119001722949524 -0.0875 -0.2875 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2292 P24 compound treatment 0.766 1.11 1.1 0.401 0.759 0.7 0.03 0.28308243902439 0.354911121128706 1.2482 0.9203 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A01 compound treatment 0.427 0.772 0.77 -0.05 0.308 0.28 -0.065 0.18808243902439 0.235806041267775 0.7437 0.8729 3554483 ACon1_000961 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A02 compound treatment -0.036 0.309 0.31 -0.896 -0.538 -0.5 -0.317 -0.06391756097561 -0.0801358547843785 -0.1567 -0.2651 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A03 compound treatment -0.111 0.234 0.23 -0.801 -0.443 -0.41 -0.548 -0.29491756097561 -0.369749259498853 -0.3162 -0.5274 3614644 ACon1_000963 CC(C)CC1NC(=O)C23C1C(=CC(O)C3/C=C/CCC4OC4(C)C(O)CC2=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A04 compound treatment -0.096 0.249 0.25 -0.027 0.331 0.31 -0.14 0.11308243902439 0.141775715061777 0.4016 0.9596 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A05 compound treatment -0.201 0.144 0.14 -0.235 0.123 0.11 -0.108 0.14508243902439 0.18189532090967 0.2533 0.9822 3553738 ACon1_000965 CC(O)(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C(=O)O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A06 compound treatment -0.568 -0.223 -0.22 -0.19 0.168 0.16 0.304 0.55708243902439 0.698435246201286 0.3649 0.4872 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A07 compound treatment 0.701 1.05 1.04 0.285 0.643 0.6 0.396 0.64908243902439 0.813779113013977 1.4138 0.9761 3558828 ACon1_000967 C/C/1=C\CCC2=CC(OC2=O)C(C)(C)/C=C\C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A08 compound treatment -0.345 6.6E-5 0.0 -0.1 0.258 0.24 -0.291 -0.03791756097561 -0.0475386750329658 0.1103 0.4535 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A09 compound treatment -0.505 -0.16 -0.16 -0.771 -0.413 -0.38 -0.415 -0.16191756097561 -0.203002147693549 -0.43 -0.9317 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A10 compound treatment -0.411 -0.0659 -0.07 -0.974 -0.616 -0.57 -0.356 -0.10291756097561 -0.129031624411498 -0.4419 -0.7504 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A11 compound treatment -0.155 0.19 0.19 -0.433 -0.0754 -0.07 0.017 0.27008243902439 0.338612531253 0.2643 0.6708 3614654 ACon1_000971 CC(O)CC(=O)c1cc(O)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A12 compound treatment 0.083 0.428 0.43 -0.47 -0.112 -0.1 -0.077 0.17608243902439 0.220761189074816 0.3131 0.6382 3553484 ACon1_000972 CC(C)(OO)C1=C[C@]23CCC4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A13 mock treatment 0.057 0.402 0.4 0.031 0.389 0.36 -0.019 0.23408243902439 0.293477974674121 0.608 0.9923 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A14 mock treatment -0.328 0.0171 0.02 -0.584 -0.226 -0.21 -0.268 -0.01491756097561 -0.0187027083297931 -0.122 -0.578 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A15 compound treatment -0.083 0.262 0.26 -0.34 0.0176 0.02 -0.376 -0.12291756097561 -0.15410637806643 0.0709 0.2338 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A16 compound treatment -0.199 0.146 0.15 -0.157 0.201 0.19 -0.161 0.09208243902439 0.115447223724098 0.2577 0.9818 3558930 ACon1_000974 OC1CCC(O)C(O)(C1O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A17 compound treatment -0.481 -0.136 -0.14 0.033 0.391 0.36 -0.175 0.07808243902439 0.0978948961656447 0.1873 0.4703 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A18 compound treatment 0.126 0.471 0.47 0.043 0.401 0.37 0.12 0.37308243902439 0.467747512575904 0.7546 0.9945 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A19 compound treatment 0.157 0.502 0.5 -0.207 0.151 0.14 -0.303 -0.04991756097561 -0.0625835272259255 0.3326 0.6371 1113957 ACon1_000977 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A20 compound treatment -0.771 -0.426 -0.42 -0.681 -0.323 -0.3 -0.774 -0.52091756097561 -0.653093975799594 -0.7944 -0.9526 3558990 ACon1_000978 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A21 compound treatment 0.043 0.388 0.39 -0.228 0.13 0.12 -0.071 0.18208243902439 0.228283615171295 0.4238 0.9133 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A22 compound treatment 0.279 0.624 0.62 -0.306 0.0516 0.05 0.101 0.35408243902439 0.443926496603718 0.6421 0.84 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A23 compound treatment 0.103 0.448 0.45 -0.645 -0.287 -0.27 0.069 0.32208243902439 0.403806890755825 0.3367 0.5121 3554993 ACon1_000981 COc1cc(O)cc(c1)C2=C(C)CC(O)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 A24 compound treatment 0.672 1.02 1.01 -0.157 0.201 0.19 0.255 0.50808243902439 0.637002099746701 1.0588 0.8755 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B01 compound treatment 0.128 0.473 0.47 0.523 0.881 0.82 0.199 0.45208243902439 0.566792789512889 1.0695 0.9734 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B02 compound treatment -0.874 -0.529 -0.53 -1.324 -0.966 -0.89 -0.695 -0.44191756097561 -0.554048698862609 -1.1401 -0.969 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B03 compound treatment -0.086 0.259 0.26 -0.482 -0.124 -0.12 -0.2 0.05308243902439 0.0665514540969786 0.1206 0.4161 3559896 ACon1_000985 COc1ccc(cc1OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B04 compound treatment 2.868 3.21 1.7 4.767 5.12 1.73 4.339 4.59208243902439 2.26147272776025 3.2895 0.991 2060503 ACon1_000986 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B05 compound treatment -0.22 0.125 0.12 -0.387 -0.0294 -0.03 0.101 0.35408243902439 0.443926496603718 0.3124 0.6764 3557603 ACon1_000987 CC1(CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B06 compound treatment 0.55 0.895 0.89 0.236 0.594 0.55 0.717 0.97008243902439 1.21622890917565 1.5333 0.9558 3559134 ACon1_000988 Oc1ccc(cc1O)C2CC(=O)c3ccc(O)c(O)c3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B07 compound treatment -0.513 -0.168 -0.17 0.15 0.508 0.47 -0.263 -0.00991756097561003 -0.0124340199160598 0.1678 0.3363 3558984 ACon1_000989 C/C(=C\CCC1(C)C2CC3C(C2)C31C)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B08 compound treatment -0.174 0.171 0.17 -0.529 -0.171 -0.16 -0.766 -0.51291756097561 -0.643064074337621 -0.3647 -0.5333 3559662 ACon1_000990 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B09 compound treatment 0.389 0.734 0.73 -0.445 -0.0874 -0.08 -0.244 0.00908243902438999 0.0113869960561264 0.3812 0.5191 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B10 compound treatment 0.14 0.485 0.48 -0.47 -0.112 -0.1 -0.278 -0.02491756097561 -0.0312400851572595 0.2003 0.4052 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B11 compound treatment 0.639 0.984 0.98 0.346 0.704 0.65 0.281 0.53408243902439 0.669599279498114 1.3276 0.9814 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B12 compound treatment -0.049 0.296 0.29 -0.38 -0.0224 -0.02 -0.141 0.11208243902439 0.140521977379031 0.2391 0.7316 2102488 ACon1_000994 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B13 mock treatment -0.33 0.0151 0.01 0.484 0.842 0.78 0.02 0.27308243902439 0.34237374430124 0.6562 0.7709 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B14 mock treatment 0.642 0.987 0.98 -0.312 0.0456 0.04 0.368 0.62108243902439 0.778674457897071 1.0405 0.8301 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B15 compound treatment 0.075 0.42 0.42 -0.382 -0.0244 -0.02 -0.073 0.18008243902439 0.225776139805802 0.3584 0.7541 3559076 ACon1_000995 CC1C2C(CC3C4CC=C5C[C@@H](O)CC(O)[C@]5(C)C4CC[C@]23C)OC61CCC(C)CO6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B16 compound treatment 0.016 0.361 0.36 -0.248 0.11 0.1 -0.295 -0.04191756097561 -0.0525536257639524 0.2355 0.6251 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B17 compound treatment -0.257 0.0881 0.09 -0.07 0.288 0.27 -0.205 0.04808243902439 0.0602827656832454 0.2391 0.8339 3559113 ACon1_000997 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)c3ccccc3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B18 compound treatment -0.066 0.279 0.28 0.113 0.471 0.44 0.243 0.49608243902439 0.621957247553741 0.7709 0.9534 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B19 compound treatment -0.422 -0.0769 -0.08 -0.387 -0.0294 -0.03 -0.284 -0.03091756097561 -0.0387625112537393 -0.0823 -0.9143 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B20 compound treatment -0.199 0.146 0.15 -0.453 -0.0954 -0.09 -0.434 -0.18091756097561 -0.226823163665736 -0.0981 -0.3462 3559123 ACon1_001000 O[C@@]12CO[C@@H]([C@H]2CO[C@@H]1c3ccc4OCOc4c3)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B21 compound treatment 0.57 0.915 0.91 0.441 0.799 0.74 0.292 0.54508243902439 0.683390394008327 1.3467 0.9924 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B22 compound treatment 1.587 1.93 1.5 1.055 1.41 1.27 1.086 1.33908243902439 1.6124090800696 2.5338 0.9954 3553151 ACon1_001002 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B23 compound treatment -1.173 -0.828 -0.82 -1.054 -0.696 -0.64 -0.691 -0.43791756097561 -0.549033748131623 -1.1645 -0.986 3552728 ACon1_001003 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC(=CCO)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 B24 compound treatment 0.571 0.916 0.91 0.22 0.578 0.53 0.325 0.57808243902439 0.724763737538966 1.253 0.9782 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C01 compound treatment 0.053 0.398 0.4 -0.035 0.323 0.3 -0.588 -0.33491756097561 -0.419898766808719 0.1585 0.244 3614681 ACon1_001005 CO[C@H]1C(=O)Nc2ccc(/C=C/C(=C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C02 compound treatment 0.279 0.624 0.62 -0.185 0.173 0.16 -0.176 0.07708243902439 0.0966411584828981 0.5063 0.7814 3558734 ACon1_001006 CC1(C)C2CC[C@]3(CC4CC[C@H]3[C@]2(C)CCC1=O)C[C@@]4(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C03 compound treatment 1.143 1.49 1.38 2.26 2.62 1.52 1.283 1.53608243902439 1.69657405960189 2.657 0.9966 3553883 ACon1_001007 CC1(C)Oc2c(CCO)c3occ(c4ccc(O)c(O)c4)c(=O)c3c(O)c2C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C04 compound treatment 0.577 0.922 0.92 -0.551 -0.193 -0.18 -0.105 0.14808243902439 0.18565653395791 0.5331 0.5598 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C05 compound treatment -0.083 0.262 0.26 -0.637 -0.279 -0.26 -0.173 0.08008243902439 0.100402371531138 0.059 0.1551 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C06 compound treatment -0.155 0.19 0.19 -0.512 -0.154 -0.14 -0.474 -0.22091756097561 -0.276972670975601 -0.1334 -0.3659 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C07 compound treatment -0.208 0.137 0.14 -0.502 -0.144 -0.13 -0.158 0.09508243902439 0.119208436772338 0.0703 0.3124 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C08 compound treatment 0.081 0.426 0.42 0.053 0.411 0.38 -0.677 -0.42391756097561 -0.53148142057317 0.1572 0.2019 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C09 compound treatment -0.168 0.177 0.18 0.074 0.432 0.4 0.533 0.78608243902439 0.985541175550267 0.9014 0.8362 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C10 compound treatment -0.51 -0.165 -0.16 -0.604 -0.246 -0.23 -0.426 -0.17291756097561 -0.216793262203763 -0.3516 -0.9906 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C11 mock treatment -0.348 -0.00293 0.0 -0.132 0.226 0.21 0.077 0.33008243902439 0.413836792217799 0.3579 0.7719 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C12 mock treatment -0.473 -0.128 -0.13 -0.196 0.162 0.15 -0.365 -0.11191756097561 -0.140315263556217 -0.068 -0.2819 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C13 compound treatment 4.908 5.25 1.86 4.941 5.3 1.74 0.732 0.98508243902439 1.23503497441685 2.7942 0.9861 3558742 ACon1_001015 CC1=CCC2[C@](C)(CCC[C@]2(C)[C@H]1CCc3ccoc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C14 compound treatment 0.161 0.506 0.5 -0.025 0.333 0.31 -0.063 0.19008243902439 0.238313516633269 0.6059 0.9523 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C15 mock treatment 0.488 0.833 0.83 -0.1 0.258 0.24 0.425 0.67808243902439 0.85013750581363 1.1067 0.9142 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C16 mock treatment -0.143 0.202 0.2 -0.171 0.187 0.17 -0.05 0.20308243902439 0.254612106508975 0.3627 0.9871 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C17 compound treatment -0.032 0.313 0.31 0.134 0.492 0.46 0.044 0.29708243902439 0.372463448687159 0.6575 0.9881 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C18 compound treatment -0.063 0.282 0.28 0.332 0.69 0.64 0.168 0.42108243902439 0.527926921347743 0.8354 0.955 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C19 compound treatment -0.368 -0.0229 -0.02 -0.46 -0.102 -0.09 -0.242 0.01108243902439 0.0138944714216197 -0.0599 -0.6079 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C20 compound treatment -0.213 0.132 0.13 -0.123 0.235 0.22 -0.3 -0.04691756097561 -0.0588223141776856 0.1673 0.6419 3553736 ACon1_001020 CC(NC(=O)c1ccccc1N)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C21 compound treatment -1.403 -1.06 -1.05 -0.712 -0.354 -0.33 -0.308 -0.05491756097561 -0.0688522156396587 -0.8364 -0.7577 3558991 ACon1_001021 CCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C22 compound treatment 1.575 1.92 1.5 2.18 2.54 1.51 2.202 2.45508243902439 1.964558214439 2.8713 0.9915 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C23 compound treatment -0.697 -0.352 -0.35 -0.237 0.121 0.11 -0.359 -0.10591756097561 -0.132792837459737 -0.2142 -0.5485 1102980 ACon1_001023 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 C24 compound treatment -0.238 0.107 0.11 -0.485 -0.127 -0.12 -0.324 -0.07091756097561 -0.088912018563605 -0.058 -0.3185 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D01 compound treatment -0.06 0.285 0.28 -0.124 0.234 0.22 0.109 0.36208243902439 0.453956398065691 0.5506 0.9539 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D02 compound treatment 0.388 0.733 0.73 0.61 0.968 0.9 -0.068 0.18508243902439 0.232044828219535 1.072 0.91 1035250 ACon1_001026 CC(=O)c1c(O)cc(O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D03 compound treatment -0.207 0.138 0.14 -0.27 0.0876 0.08 -0.257 -0.00391756097561002 -0.00491159381957999 0.1232 0.7726 3558681 ACon1_001027 CC(C)C1CCC(C)(O)C2CCC(C21)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D04 compound treatment -0.141 0.204 0.2 -0.302 0.0556 0.05 -0.285 -0.03191756097561 -0.0400162489364859 0.1238 0.5807 3559064 ACon1_001028 COc1cc2OC(C)(C)C=Cc2c3O[C@H](CC(=O)c13)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D05 compound treatment -0.143 0.202 0.2 -0.23 0.128 0.12 -0.87 -0.61691756097561 -0.773452793343272 -0.2624 -0.3248 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D06 compound treatment 2.775 3.12 1.69 1.236 1.59 1.33 1.274 1.52708243902439 1.69301383528506 2.7206 0.994 3555816 ACon1_001030 OC(=O)C(CCCCCCCCC=C)C1(CCC(=O)O1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D07 compound treatment 0.54 0.885 0.88 -0.383 -0.0254 -0.02 0.305 0.55808243902439 0.699688983884033 0.8984 0.799 3557965 ACon1_001031 COc1cc2oc(c(OC)c(=O)c2c(O)c1OC)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D08 compound treatment -0.13 0.215 0.21 0.059 0.417 0.39 -0.055 0.19808243902439 0.248343418095242 0.4895 0.9672 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D09 compound treatment 0.031 0.376 0.37 0.25 0.608 0.56 -0.025 0.22808243902439 0.285955548577641 0.7058 0.9621 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D10 compound treatment 0.528 0.873 0.87 -0.124 0.234 0.22 -0.407 -0.15391756097561 -0.192972246231576 0.5146 0.5623 3554278 ACon1_001034 CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D11 mock treatment -0.22 0.125 0.12 0.392 0.75 0.69 -0.107 0.14608243902439 0.183149058592416 0.5783 0.7937 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D12 mock treatment -0.271 0.0741 0.07 -0.038 0.32 0.3 -0.227 0.02608243902439 0.0327005366628193 0.2323 0.7572 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D13 compound treatment -0.166 0.179 0.18 -0.015 0.343 0.32 -0.583 -0.32991756097561 -0.413630078394985 0.0471 0.0856 3558978 ACon1_001035 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(C)C(O)CCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D14 compound treatment 0.499 0.844 0.84 2.842 3.2 1.59 0.072 0.32508243902439 0.407568103804065 1.638 0.8884 3558688 ACon1_001036 CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D15 mock treatment -0.337 0.00807 0.01 -0.253 0.105 0.1 -0.167 0.08608243902439 0.107924797627618 0.1229 0.8459 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D16 mock treatment -0.029 0.316 0.31 -0.153 0.205 0.19 0.85 1.10308243902439 1.38297602098095 1.0893 0.7613 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D17 compound treatment -0.188 0.157 0.16 0.07 0.428 0.4 -0.074 0.17908243902439 0.224522402123056 0.4484 0.9318 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D18 compound treatment -0.6 -0.255 -0.25 -0.741 -0.383 -0.35 -0.321 -0.06791756097561 -0.0851508055153651 -0.4004 -0.9011 3558901 ACon1_001038 O[C@@H](CCc1ccccc1)CC(=O)CCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D19 compound treatment -0.326 0.0191 0.02 -0.598 -0.24 -0.22 -0.292 -0.03891756097561 -0.0487924127157124 -0.1457 -0.6374 3554848 ACon1_001039 COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D20 compound treatment 0.243 0.588 0.58 -0.668 -0.31 -0.29 -0.321 -0.06791756097561 -0.0851508055153651 0.1224 0.1864 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D21 compound treatment -0.041 0.304 0.3 0.072 0.43 0.4 0.558 0.81108243902439 1.01688461761893 0.9913 0.8749 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D22 compound treatment 4.028 4.37 1.81 1.075 1.43 1.28 3.902 4.15508243902439 2.21903388965503 3.0642 0.9772 3559586 ACon1_001042 CC(=O)OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)\CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D23 compound treatment -0.335 0.0101 0.01 0.67 1.03 0.95 -0.335 -0.08191756097561 -0.102703133073818 0.4958 0.5181 3554758 ACon1_001043 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(O)CC(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 D24 compound treatment -0.421 -0.0759 -0.08 -0.252 0.106 0.1 -0.373 -0.11991756097561 -0.15034516501819 -0.0739 -0.3799 3557336 ACon1_001044 CC(O)CC1=CC(OC1=O)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E01 mock treatment 0.238 0.583 0.58 -0.303 0.0546 0.05 -0.511 -0.25791756097561 -0.323360965237227 0.1772 0.2662 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E02 mock treatment 0.145 0.49 0.49 -0.503 -0.145 -0.13 -0.216 0.03708243902439 0.0464916511730324 0.2304 0.4539 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E03 compound treatment 0.043 0.388 0.39 -0.409 -0.0514 -0.05 0.022 0.27508243902439 0.344881219666733 0.3944 0.7589 3553538 ACon1_001045 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E04 compound treatment -0.42 -0.0749 -0.07 -0.425 -0.0674 -0.06 -0.357 -0.10391756097561 -0.130285362094244 -0.1543 -0.9491 3555006 ACon1_001046 COc1cc(OC)c2C(=O)OC(C)Cc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E05 compound treatment 0.164 0.509 0.51 -0.11 0.248 0.23 0.545 0.79808243902439 1.00058602774323 1.0023 0.8757 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E06 compound treatment -0.53 -0.185 -0.18 -0.47 -0.112 -0.1 0.502 0.75508243902439 0.946675307385122 0.3803 0.3921 3614704 ACon1_001048 Cc1c(O)cc2C(=O)C(O)(CCCO)OCc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E07 compound treatment -0.493 -0.148 -0.15 -0.387 -0.0294 -0.03 -0.175 0.07808243902439 0.0978948961656447 -0.0441 -0.2467 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E08 compound treatment 0.277 0.622 0.62 0.041 0.399 0.37 0.012 0.26508243902439 0.332343842839267 0.762 0.9607 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E09 mock treatment -0.474 -0.129 -0.13 -0.482 -0.124 -0.12 -0.364 -0.11091756097561 -0.139061525873471 -0.2208 -0.9971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E10 mock treatment -0.992 -0.647 -0.64 -0.961 -0.603 -0.56 -0.693 -0.43991756097561 -0.551541223497116 -1.0123 -0.9975 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E11 compound treatment -0.365 -0.0199 -0.02 -0.269 0.0886 0.08 -0.129 0.12408243902439 0.15556682957199 0.1257 0.7105 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E12 compound treatment 1.611 1.96 1.51 0.245 0.603 0.56 0.16 0.41308243902439 0.51789701988577 1.4913 0.8832 3558478 ACon1_001052 CC(C)(O)c1cc(O)c2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E13 compound treatment 0.202 0.547 0.54 -0.109 0.249 0.23 -0.478 -0.22491756097561 -0.281987621706588 0.2841 0.4341 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E14 compound treatment 0.399 0.744 0.74 0.193 0.551 0.51 0.296 0.54908243902439 0.688405344739313 1.1189 0.9886 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E15 compound treatment 0.869 1.21 1.21 1.092 1.45 1.29 1.452 1.70508243902439 1.75908318988554 2.4547 0.9855 3558832 ACon1_001055 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1)\CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E16 compound treatment -0.236 0.109 0.11 -0.157 0.201 0.19 -0.312 -0.05891756097561 -0.0738671663706453 0.1272 0.5593 3555940 ACon1_001056 OC1CCC(=O)C(O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E17 mock treatment 0.015 0.36 0.36 -0.09 0.268 0.25 -0.014 0.23908243902439 0.299746663087854 0.5228 0.9891 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E18 mock treatment 0.327 0.672 0.67 -0.53 -0.172 -0.16 -0.13 0.12308243902439 0.154313091889244 0.3827 0.5435 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E19 compound treatment -0.229 0.116 0.12 -0.419 -0.0614 -0.06 0.164 0.41708243902439 0.522911970616756 0.3357 0.6234 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E20 compound treatment 0.149 0.494 0.49 0.057 0.415 0.38 -0.015 0.23808243902439 0.298492925405107 0.6776 0.9803 3558986 ACon1_001058 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E21 compound treatment -0.825 -0.48 -0.48 -1.004 -0.646 -0.6 -0.328 -0.07491756097561 -0.0939269692945916 -0.6753 -0.8756 3559000 ACon1_001059 CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E22 compound treatment -0.873 -0.528 -0.52 -0.352 0.00561 0.01 -0.349 -0.09591756097561 -0.120255460632271 -0.3695 -0.6861 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E23 compound treatment -1.732 -1.39 -1.38 -2.447 -2.09 -1.93 -0.558 -0.30491756097561 -0.382286636326319 -2.1338 -0.8867 3558682 ACon1_001061 CC(C)c1ccc2c(c1)C(O)CC3C(C)(CO)CCCC32C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 E24 compound treatment 8.375 8.72 1.99 3.91 4.27 1.68 2.556 2.80908243902439 2.03467556522119 3.2967 0.9966 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F01 mock treatment -0.227 0.118 0.12 0.1 0.458 0.42 -0.086 0.16708243902439 0.209477549930096 0.4333 0.8898 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F02 mock treatment -0.225 0.12 0.12 -0.883 -0.525 -0.49 -0.708 -0.45491756097561 -0.570347288738316 -0.5412 -0.713 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F03 compound treatment -0.418 -0.0729 -0.07 -0.892 -0.534 -0.49 -0.297 -0.04391756097561 -0.0550611011294457 -0.3593 -0.7142 3558778 ACon1_001063 Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F04 compound treatment -0.055 0.29 0.29 -0.234 0.124 0.11 -0.201 0.05208243902439 0.065297716414232 0.2703 0.8525 3559033 ACon1_001064 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F05 compound treatment 0.057 0.402 0.4 -0.085 0.273 0.25 -0.08 0.17308243902439 0.216999976026576 0.5018 0.9647 425 ACon1_001065 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F06 compound treatment -0.073 0.272 0.27 -0.005 0.353 0.33 -0.272 -0.01891756097561 -0.0237176590607796 0.331 0.7794 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F07 compound treatment 0.058 0.403 0.4 -0.138 0.22 0.2 0.085 0.33808243902439 0.423866693679772 0.5935 0.9607 3558995 ACon1_001067 CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F08 compound treatment 0.236 0.581 0.58 0.072 0.43 0.4 0.0 0.25308243902439 0.317298990646307 0.7464 0.9695 3557648 ACon1_001068 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F09 mock treatment -0.275 0.0701 0.07 -0.279 0.0786 0.07 -0.037 0.21608243902439 0.270910696384681 0.2387 0.8257 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F10 mock treatment -0.177 0.168 0.17 -0.31 0.0476 0.04 -0.173 0.08008243902439 0.100402371531138 0.1799 0.9001 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F11 compound treatment -0.513 -0.168 -0.17 -0.536 -0.178 -0.17 -0.261 -0.00791756097561003 -0.00992654455056656 -0.1975 -0.8401 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F12 compound treatment -0.236 0.109 0.11 -0.727 -0.369 -0.34 -0.256 -0.00291756097561002 -0.00365785613683334 -0.137 -0.3818 3557470 ACon1_001070 CCc1cc(O)c(C)c(O)c1C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F13 compound treatment -0.151 0.194 0.19 -0.3 0.0576 0.05 -0.299 -0.04591756097561 -0.0575685764949389 0.109 0.5231 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F14 compound treatment -0.023 0.322 0.32 -0.238 0.12 0.11 -0.403 -0.14991756097561 -0.18795729550059 0.1403 0.3621 3555967 ACon1_001072 OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F15 compound treatment -0.571 -0.226 -0.22 -1.01 -0.652 -0.6 -0.589 -0.33591756097561 -0.421152504491465 -0.7216 -0.9373 3557355 ACon1_001073 CCCC[C@@H](O)c1cc(OC)cc(=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F16 compound treatment -0.841 -0.496 -0.49 -1.647 -1.29 -1.19 -1.429 -1.17591756097561 -1.47429215799864 -1.8251 -0.9311 3558989 ACon1_001074 CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F17 mock treatment 0.153 0.498 0.5 -0.127 0.231 0.21 -0.245 0.00808243902438999 0.0101332583733797 0.415 0.7695 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F18 mock treatment -0.366 -0.0209 -0.02 -0.058 0.3 0.28 -0.09 0.16308243902439 0.204462599199109 0.2662 0.771 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F19 compound treatment -0.277 0.0681 0.07 -0.13 0.228 0.21 -0.087 0.16608243902439 0.208223812247349 0.281 0.9245 3559597 ACon1_001075 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F20 compound treatment 1.029 1.37 1.35 0.768 1.13 1.04 0.943 1.19608243902439 1.49957362547639 2.2454 0.9894 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F21 compound treatment -0.388 -0.0429 -0.04 -0.868 -0.51 -0.47 -0.329 -0.07591756097561 -0.0951807069773382 -0.3524 -0.7282 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F22 compound treatment -0.429 -0.0839 -0.08 -0.729 -0.371 -0.34 -0.388 -0.13491756097561 -0.16915123025939 -0.3444 -0.878 3555308 ACon1_001078 COc1cccc2C(=O)c3c(ccc4CC(C)(O)CC(=O)c43)C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F23 compound treatment -1.233 -0.888 -0.88 -1.156 -0.798 -0.74 -1.015 -0.76191756097561 -0.955244757341535 -1.488 -0.9946 3559897 ACon1_001079 CC(=CCc1c(O)cc(O)c2c(=O)cc(oc12)c3ccc(O)cc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 F24 compound treatment -0.962 -0.617 -0.61 -0.744 -0.386 -0.36 -0.204 0.04908243902439 0.0615365033659921 -0.5251 -0.7368 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G01 compound treatment 1.574 1.92 1.5 0.608 0.966 0.89 1.3 1.55308243902439 1.70323110128713 2.365 0.9698 3558179 ACon1_001081 COc1cc(CCCO)cc2C(COC3OC(CO)C(O)C(O)C3O)C(Oc21)c4ccc(OC)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G02 compound treatment -0.782 -0.437 -0.43 -0.961 -0.603 -0.56 0.074 0.32708243902439 0.410075579169559 -0.3366 -0.4115 3554828 ACon1_001082 COc1cc(c(O)c(O)c1c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G03 mock treatment 0.058 0.403 0.4 0.229 0.587 0.54 0.038 0.29108243902439 0.364941022590679 0.7557 0.9848 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G04 mock treatment -0.104 0.241 0.24 -0.598 -0.24 -0.22 -0.095 0.15808243902439 0.198193910785376 0.1243 0.325 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G05 compound treatment 0.601 0.946 0.94 -0.007 0.351 0.32 0.298 0.55108243902439 0.690912820104806 1.1294 0.9323 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G06 compound treatment -0.157 0.188 0.19 -0.155 0.203 0.19 -0.994 -0.74091756097561 -0.928916266003855 -0.32 -0.3313 3614713 ACon1_001084 CC1CC(O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G07 compound treatment 0.005 0.35 0.35 0.409 0.767 0.71 0.28 0.53308243902439 0.668345541815367 0.9966 0.9627 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G08 compound treatment 0.226 0.571 0.57 -0.111 0.247 0.23 -0.111 0.14208243902439 0.17813410786143 0.5625 0.8825 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G09 compound treatment -0.447 -0.102 -0.1 -0.476 -0.118 -0.11 -0.291 -0.03791756097561 -0.0475386750329658 -0.1492 -0.9526 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G10 compound treatment 5.901 6.25 1.91 3.829 4.19 1.67 2.259 2.51208243902439 1.97674072320796 3.212 0.9976 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G11 compound treatment 0.675 1.02 1.01 -0.05 0.308 0.28 0.271 0.52408243902439 0.657061902670647 1.1293 0.9096 1105254 ACon1_001089 CC12CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C3(C)C2=CCC1c5ccoc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G12 compound treatment -0.171 0.174 0.17 -0.284 0.0736 0.07 -0.326 -0.07291756097561 -0.0914194939290983 0.0865 0.4173 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G13 compound treatment 0.715 1.06 1.05 0.215 0.573 0.53 0.706 0.95908243902439 1.20243779466544 1.6088 0.955 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G14 compound treatment -0.161 0.184 0.18 -0.272 0.0856 0.08 -0.883 -0.62991756097561 -0.789751383218978 -0.3045 -0.3739 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G15 compound treatment -0.026 0.319 0.32 0.056 0.414 0.38 -0.18 0.07308243902439 0.0916262077519115 0.4572 0.9041 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G16 compound treatment -0.236 0.109 0.11 -0.252 0.106 0.1 -0.092 0.16108243902439 0.201955123833616 0.2357 0.9456 3559145 ACon1_001094 CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G17 compound treatment -0.02 0.325 0.32 -0.155 0.203 0.19 0.022 0.27508243902439 0.344881219666733 0.494 0.9715 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G18 compound treatment -0.386 -0.0409 -0.04 -0.308 0.0496 0.05 -0.831 -0.57791756097561 -0.724557023716153 -0.4153 -0.5711 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G19 mock treatment -0.49 -0.145 -0.14 -0.354 0.00361 0.0 -0.261 -0.00791756097561003 -0.00992654455056656 -0.087 -0.6021 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G20 mock treatment -0.148 0.197 0.2 -0.387 -0.0294 -0.03 -0.23 0.02308243902439 0.0289393236145793 0.1141 0.5708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G21 compound treatment 0.21 0.555 0.55 0.136 0.494 0.46 -0.133 0.12008243902439 0.150551878841004 0.6694 0.9143 3554700 ACon1_001097 COC(=O)c1cc(CO)cc(O)c1C(=O)c2c(O)cccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G22 compound treatment -0.138 0.207 0.21 -0.184 0.174 0.16 -0.216 0.03708243902439 0.0464916511730324 0.2385 0.899 3558581 ACon1_001098 C[C@@]1(CCC[C@]2(C)C3CCC4CC3(CCC12)C=C4CO)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G23 compound treatment 1.933 2.28 1.57 0.679 1.04 0.96 0.779 1.03208243902439 1.29396064550594 2.2084 0.9813 3555287 ACon1_001099 COc1ccc2c(C=O)c(oc2c1)c3ccc(OC)c(O)c3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 G24 compound treatment 0.027 0.372 0.37 -0.401 -0.0434 -0.04 -0.494 -0.24091756097561 -0.302047424630534 0.016 0.0333 1787154 ACon1_001100 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H01 compound treatment 0.416 0.761 0.76 0.471 0.829 0.77 -0.377 -0.12391756097561 -0.155360115749177 0.7901 0.7257 3558364 ACon1_001101 CCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H02 compound treatment 3.98 4.33 1.8 2.533 2.89 1.56 2.063 2.31608243902439 1.93319823332409 3.0562 0.9961 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H03 mock treatment 0.053 0.398 0.4 -0.103 0.255 0.24 -0.11 0.14308243902439 0.179387845544176 0.4682 0.947 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H04 mock treatment 0.015 0.36 0.36 0.079 0.437 0.4 0.037 0.29008243902439 0.363687284907933 0.6501 0.9985 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H05 compound treatment 0.986 1.33 1.32 0.138 0.496 0.46 0.231 0.48408243902439 0.606912395360781 1.3794 0.9036 3558811 ACon1_001103 COc1cc(/C=C/C=O)cc(OC)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H06 compound treatment -0.055 0.29 0.29 -0.614 -0.256 -0.24 -0.39 -0.13691756097561 -0.171658705624883 -0.0697 -0.1695 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H07 compound treatment 0.586 0.931 0.93 -0.325 0.0326 0.03 -0.245 0.00808243902438999 0.0101332583733797 0.5577 0.6021 3557308 ACon1_001105 CCCCCCCCC(C(O)CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H08 compound treatment -0.541 -0.196 -0.19 -0.573 -0.215 -0.2 -0.55 -0.29691756097561 -0.372256734864346 -0.4425 -0.9515 1001923 ACon1_001106 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H09 compound treatment -0.294 0.0511 0.05 -0.703 -0.345 -0.32 -0.519 -0.26591756097561 -0.3333908666992 -0.3478 -0.7484 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H10 compound treatment 0.606 0.951 0.95 1.011 1.37 1.26 0.566 0.81908243902439 1.02691451908091 1.8666 0.9924 3553984 ACon1_001108 Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H11 compound treatment -0.593 -0.248 -0.25 -0.353 0.00461 0.0 -0.496 -0.24291756097561 -0.304554899996027 -0.3157 -0.8057 3559002 ACon1_001109 Oc1ccc(CCCc2ccc3OCOc3c2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H12 compound treatment -0.855 -0.51 -0.51 -0.648 -0.29 -0.27 -0.465 -0.21191756097561 -0.265689031830882 -0.6013 -0.9509 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H13 compound treatment -0.189 0.156 0.16 -0.417 -0.0594 -0.05 0.763 1.01608243902439 1.273900842582 0.7933 0.6176 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H14 compound treatment 0.091 0.436 0.43 -0.326 0.0316 0.03 0.0 0.25308243902439 0.317298990646307 0.4504 0.8371 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H15 compound treatment -0.038 0.307 0.31 -0.49 -0.132 -0.12 -0.255 -0.00191756097561002 -0.0024041184540867 0.1041 0.3164 3553997 ACon1_001113 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H16 compound treatment -0.475 -0.13 -0.13 -0.948 -0.59 -0.55 -0.685 -0.43191756097561 -0.541511322035143 -0.7028 -0.9008 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H17 compound treatment -0.001 0.344 0.34 -0.761 -0.403 -0.37 -0.24 0.01308243902439 0.016401946787113 -0.0087 -0.0172 3559112 ACon1_001115 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)/C=C/C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H18 compound treatment -0.877 -0.532 -0.53 -0.885 -0.527 -0.49 -0.638 -0.38491756097561 -0.482585650946051 -0.8659 -0.9992 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H19 mock treatment -0.364 -0.0189 -0.02 -0.021 0.337 0.31 -0.263 -0.00991756097561003 -0.0124340199160598 0.1619 0.5181 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H20 mock treatment -0.6 -0.255 -0.25 -0.763 -0.405 -0.38 -0.478 -0.22491756097561 -0.281987621706588 -0.5259 -0.9856 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H21 compound treatment 0.131 0.476 0.47 0.687 1.04 0.97 0.137 0.39008243902439 0.489061053182597 1.1141 0.942 1111461 ACon1_001117 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H22 compound treatment -1.073 -0.728 -0.72 -1.416 -1.06 -0.98 -1.564 -1.31091756097561 -1.64354674516944 -1.9325 -0.9446 3558469 ACon1_001118 OC(=O)c1c(O)cccc1CCCCCCC/C=C\C/C=C\CC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H23 compound treatment -0.561 -0.216 -0.21 -0.412 -0.0544 -0.05 -0.543 -0.28991756097561 -0.36348057108512 -0.3629 -0.8536 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 H24 compound treatment -1.206 -0.861 -0.86 -0.576 -0.218 -0.2 -0.47 -0.21691756097561 -0.271957720244615 -0.7679 -0.8342 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I01 compound treatment -0.99 -0.645 -0.64 -2.665 -2.31 -2.14 -1.216 -0.96291756097561 -1.20724603157361 -2.3007 -0.9071 3554132 ACon1_001121 CCC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I02 compound treatment 0.47 0.815 0.81 -0.327 0.0306 0.03 -0.148 0.10508243902439 0.131745813599804 0.5603 0.682 3553195 ACon1_001122 CC(=CCc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)c3ccc(O)cc3O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I03 compound treatment 1.292 1.64 1.43 -0.139 0.219 0.2 -0.316 -0.06291756097561 -0.0788821171016319 0.896 0.6202 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I04 compound treatment -1.173 -0.828 -0.82 -0.965 -0.607 -0.56 -1.001 -0.74791756097561 -0.937692429783082 -1.3413 -0.9801 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I05 mock treatment -0.063 0.282 0.28 0.097 0.455 0.42 -0.18 0.07308243902439 0.0916262077519115 0.4578 0.8907 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I06 mock treatment -0.474 -0.129 -0.13 -0.508 -0.15 -0.14 -0.072 0.18108243902439 0.227029877488549 -0.0233 -0.0789 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I07 compound treatment -0.254 0.0911 0.09 -0.494 -0.136 -0.13 0.087 0.34008243902439 0.426374169045265 0.2255 0.497 3474459 ACon1_001125 OCC1OC(Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I08 compound treatment 0.317 0.662 0.66 0.443 0.801 0.74 0.789 1.04208243902439 1.30649802233341 1.5623 0.9526 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I09 compound treatment -0.538 -0.193 -0.19 -0.942 -0.584 -0.54 -0.761 -0.50791756097561 -0.636795385923888 -0.7908 -0.9224 3558998 ACon1_001127 CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I10 compound treatment -0.564 -0.219 -0.22 -0.99 -0.632 -0.59 -0.311 -0.05791756097561 -0.0726134286878987 -0.5057 -0.804 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I11 compound treatment -0.204 0.141 0.14 -0.324 0.0336 0.03 -0.002 0.25108243902439 0.314791515280814 0.2807 0.8112 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I12 compound treatment 2.595 2.94 1.67 1.014 1.37 1.26 0.808 1.06108243902439 1.33031903830559 2.4613 0.9921 3558629 ACon1_001130 OC[C@H]1O[C@@H](Oc2cc3occc3cc2CCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I13 compound treatment 0.808 1.15 1.15 -0.371 -0.0134 -0.01 -0.193 0.06008243902439 0.0753276178762051 0.6982 0.6077 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I14 compound treatment -0.116 0.229 0.23 -0.942 -0.584 -0.54 -0.406 -0.15291756097561 -0.19171850854883 -0.2916 -0.4722 3558926 ACon1_001132 Oc1ccc(/C=C/c2ccc(O)cc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I15 compound treatment -0.107 0.238 0.24 0.086 0.444 0.41 -0.132 0.12108243902439 0.15180561652375 0.4614 0.927 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I16 compound treatment -0.353 -0.00793 -0.01 -0.56 -0.202 -0.19 -0.6 -0.34691756097561 -0.434943619001678 -0.3639 -0.7682 3558948 ACon1_001134 COc1cc(/C=C\C(=O)O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I17 compound treatment -0.378 -0.0329 -0.03 -0.377 -0.0194 -0.02 -0.417 -0.16391756097561 -0.205509623059043 -0.1479 -0.7082 3557339 ACon1_001135 C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I18 compound treatment -0.446 -0.101 -0.1 -0.309 0.0486 0.05 0.045 0.29808243902439 0.373717186369906 0.1838 0.4719 3557346 ACon1_001136 CC(C)CCCC/C=C\CCCCCCCC(=O)OCC(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I19 compound treatment -0.496 -0.151 -0.15 -0.564 -0.206 -0.19 -0.481 -0.22791756097561 -0.285748834754828 -0.3619 -0.965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I20 compound treatment -0.197 0.148 0.15 -0.329 0.0286 0.03 -0.121 0.13208243902439 0.165596731033963 0.1959 0.8779 3558986 ACon1_001138 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I21 mock treatment -0.633 -0.288 -0.29 -0.898 -0.54 -0.5 -0.63 -0.37691756097561 -0.472555749484078 -0.727 -0.9753 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I22 mock treatment -0.279 0.0661 0.07 -0.483 -0.125 -0.12 -0.41 -0.15691756097561 -0.196733459279816 -0.1427 -0.6003 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I23 compound treatment 1.133 1.48 1.38 3.023 3.38 1.61 1.285 1.53808243902439 1.69736182353978 2.7062 0.9964 3554969 ACon1_001139 COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 I24 compound treatment -0.151 0.194 0.19 -0.728 -0.37 -0.34 -0.361 -0.10791756097561 -0.135300312825231 -0.1647 -0.3959 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J01 compound treatment 0.136 0.481 0.48 -0.105 0.253 0.23 -0.104 0.14908243902439 0.186910271640656 0.5191 0.9199 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J02 compound treatment -0.224 0.121 0.12 -0.545 -0.187 -0.17 -0.414 -0.16091756097561 -0.201748410010803 -0.1472 -0.5039 3558547 ACon1_001142 COc1ccc(cc1OC)[C@@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J03 compound treatment -0.252 0.0931 0.09 -0.825 -0.467 -0.43 -0.657 -0.40391756097561 -0.506406666918237 -0.4888 -0.7268 3554707 ACon1_001143 COC(=O)c1cc(O)cc(OC)c1Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J04 compound treatment -0.059 0.286 0.28 -0.602 -0.244 -0.23 -0.358 -0.10491756097561 -0.131539099776991 -0.0424 -0.1097 3559048 ACon1_001144 CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J05 mock treatment 0.462 0.807 0.8 -0.303 0.0546 0.05 -0.463 -0.20991756097561 -0.263181556465388 0.3405 0.4025 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J06 mock treatment -0.416 -0.0709 -0.07 -0.044 0.314 0.29 -0.088 0.16508243902439 0.206970074564603 0.2464 0.6779 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J07 compound treatment -1.167 -0.822 -0.82 -1.286 -0.928 -0.86 -1.469 -1.21591756097561 -1.52444166530851 -1.8482 -0.9569 3559004 ACon1_001145 Oc1cc(O)c(C(=O)CCCCCCCCc2ccccc2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J08 compound treatment 0.879 1.22 1.22 0.469 0.827 0.77 0.169 0.42208243902439 0.52918065903049 1.45 0.9465 3558537 ACon1_001146 C/C(=C\CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O)/C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J09 compound treatment -0.294 0.0511 0.05 -1.061 -0.703 -0.65 -0.448 -0.19491756097561 -0.244375491224189 -0.4878 -0.6994 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J10 compound treatment -0.449 -0.104 -0.1 -0.826 -0.468 -0.43 -0.207 0.04608243902439 0.0577752903177522 -0.2767 -0.6155 3557887 ACon1_001148 COc1cc(ccc1O)C2OCC3C(OCC23)c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J11 compound treatment -0.796 -0.451 -0.45 -0.917 -0.559 -0.52 -0.74 -0.48691756097561 -0.610466894586208 -0.9103 -0.9921 3557666 ACon1_001149 CC(=O)OCC(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J12 compound treatment 0.958 1.3 1.3 0.78 1.14 1.05 0.554 0.80708243902439 1.01186966688795 1.9403 0.9938 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J13 compound treatment -0.225 0.12 0.12 -0.345 0.0126 0.01 -0.186 0.06708243902439 0.0841037816554316 0.1242 0.848 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J14 compound treatment 0.307 0.652 0.65 1.162 1.52 1.31 0.445 0.69808243902439 0.875212259468563 1.6335 0.9606 3557343 ACon1_001152 CCC/C=C\CC(N)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J15 compound treatment -0.424 -0.0789 -0.08 -0.731 -0.373 -0.35 -0.481 -0.22791756097561 -0.285748834754828 -0.4099 -0.9002 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J16 compound treatment -0.415 -0.0699 -0.07 -0.702 -0.344 -0.32 -0.136 0.11708243902439 0.146790665792764 -0.1395 -0.3898 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J17 compound treatment -0.238 0.107 0.11 -0.342 0.0156 0.01 -0.499 -0.24591756097561 -0.308316113044267 -0.1082 -0.3314 3559133 ACon1_001155 OC1C(O)c2ccc(O)c(O)c2OC1c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J18 compound treatment 0.038 0.383 0.38 -0.123 0.235 0.22 -0.22 0.03308243902439 0.0414767004420458 0.3692 0.8384 3558873 ACon1_001156 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J19 compound treatment -0.105 0.24 0.24 -0.093 0.265 0.25 0.058 0.31108243902439 0.390015776245612 0.5044 0.9724 3554748 ACon1_001157 COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J20 compound treatment 0.272 0.617 0.61 0.101 0.459 0.42 -0.238 0.01508243902439 0.0189094221526062 0.6103 0.8177 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J21 mock treatment 0.131 0.476 0.47 -0.505 -0.147 -0.14 -0.167 0.08608243902439 0.107924797627618 0.2568 0.5092 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J22 mock treatment -0.428 -0.0829 -0.08 -0.774 -0.416 -0.39 -0.159 0.09408243902439 0.117954699089591 -0.2021 -0.4911 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J23 compound treatment -0.618 -0.273 -0.27 -0.67 -0.312 -0.29 -0.453 -0.19991756097561 -0.250644179637922 -0.4684 -0.9983 3555129 ACon1_001159 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 J24 compound treatment -0.137 0.208 0.21 -0.401 -0.0434 -0.04 -0.187 0.06608243902439 0.082850043972685 0.1441 0.6363 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K01 compound treatment 0.064 0.409 0.41 -0.164 0.194 0.18 0.052 0.30508243902439 0.382493350149132 0.5591 0.9536 3554770 ACon1_001161 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K02 compound treatment 1.766 2.11 1.54 2.704 3.06 1.58 0.624 0.87708243902439 1.09963130468021 2.4335 0.9883 3558741 ACon1_001162 C[C@@]1(CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K03 compound treatment 0.099 0.444 0.44 -0.122 0.236 0.22 0.653 0.90608243902439 1.13598969747986 1.0367 0.8373 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K04 compound treatment 0.146 0.491 0.49 -0.269 0.0886 0.08 -0.164 0.08908243902439 0.111686010675858 0.3937 0.7758 3553892 ACon1_001164 CC1[C@@H]2CC[C@@]3(C)[C@H](O)C[C@H](O)C(=C)C3[C@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K05 compound treatment 0.012 0.357 0.35 0.459 0.817 0.76 0.354 0.60708243902439 0.761122130338618 1.0809 0.9565 3558807 ACon1_001165 C[C@H]1[C@@H]2CC/C(=C/C[C@H](O)/C(=C/[C@H]2OC1=O)/C)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K06 compound treatment 0.037 0.382 0.38 -0.069 0.289 0.27 -0.519 -0.26591756097561 -0.3333908666992 0.1811 0.3168 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K07 mock treatment -0.321 0.0241 0.02 0.149 0.507 0.47 -0.028 0.22508243902439 0.282194335529401 0.4476 0.8168 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K08 mock treatment -0.29 0.0551 0.05 -0.079 0.279 0.26 -0.141 0.11208243902439 0.140521977379031 0.2617 0.8757 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K09 compound treatment 1.478 1.82 1.48 2.076 2.43 1.49 2.099 2.35208243902439 1.94155592183781 2.8361 0.9915 3558702 ACon1_001167 CC(=CCC/C(=C/CC/C(=C/CC\C(=C\COC(=O)C)\COC(=O)C)/C)/C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K10 compound treatment 0.205 0.55 0.55 -0.044 0.314 0.29 -0.091 0.16208243902439 0.203208861516363 0.6007 0.9218 3558881 ACon1_001168 COc1cc(ccc1O)[C@H]2Oc3c(cc(CCCO)cc3O)[C@@H]2CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K11 compound treatment -0.245 0.1 0.1 -0.505 -0.147 -0.14 -0.302 -0.04891756097561 -0.0613297895431789 -0.0568 -0.3159 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K12 compound treatment -0.865 -0.52 -0.52 -0.344 0.0136 0.01 -0.659 -0.40591756097561 -0.50891414228373 -0.585 -0.8063 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K13 compound treatment 0.016 0.361 0.36 1.527 1.88 1.4 -0.168 0.08508243902439 0.106671059944871 1.0744 0.7437 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K14 compound treatment -0.101 0.244 0.24 0.241 0.599 0.55 -0.186 0.06708243902439 0.0841037816554316 0.5087 0.8327 3558928 ACon1_001172 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(O)CCC3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K15 mock treatment 0.133 0.478 0.48 0.046 0.404 0.37 -0.017 0.23608243902439 0.295985450039614 0.6611 0.982 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K16 mock treatment 0.048 0.393 0.39 -0.195 0.163 0.15 -0.181 0.07208243902439 0.0903724700691648 0.3647 0.8513 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K17 compound treatment 0.304 0.649 0.65 0.009 0.367 0.34 0.218 0.47108243902439 0.590613805485075 0.9095 0.9693 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K18 compound treatment 0.052 0.397 0.39 -0.308 0.0496 0.05 -0.451 -0.19791756097561 -0.248136704272429 0.1112 0.2373 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K19 compound treatment -0.402 -0.0569 -0.06 -1.14 -0.782 -0.72 -0.725 -0.47191756097561 -0.591660829345009 -0.7925 -0.8458 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K20 compound treatment -0.62 -0.275 -0.27 -0.508 -0.15 -0.14 -0.901 -0.64791756097561 -0.812318661508418 -0.7072 -0.8145 3558988 ACon1_001176 CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K21 compound treatment -0.334 0.0111 0.01 0.326 0.684 0.63 -0.196 0.05708243902439 0.0715664048279652 0.4131 0.6484 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K22 compound treatment 0.069 0.414 0.41 -0.183 0.175 0.16 -0.571 -0.31791756097561 -0.398585226202026 0.1009 0.1695 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K23 mock treatment 0.204 0.549 0.55 -0.229 0.129 0.12 -0.066 0.18708243902439 0.234552303585029 0.5193 0.8571 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 K24 mock treatment -0.752 -0.407 -0.4 -0.096 0.262 0.24 -0.598 -0.34491756097561 -0.432436143636185 -0.3434 -0.5367 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L01 compound treatment -0.012 0.333 0.33 -0.631 -0.273 -0.25 0.249 0.50208243902439 0.629479673650221 0.4085 0.541 3554154 ACon1_001179 CCC(C)c1cnc(Cc2ccccc2)c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L02 compound treatment 0.259 0.604 0.6 -0.182 0.176 0.16 -0.081 0.17208243902439 0.215746238343829 0.5652 0.8582 3557616 ACon1_001180 COc1cc(cc(OC)c1O)C2C(COC3OCC(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L03 compound treatment -0.255 0.0901 0.09 1.324 1.68 1.35 -0.119 0.13408243902439 0.168104206399457 0.9274 0.6809 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L04 compound treatment -0.269 0.0761 0.08 -0.461 -0.103 -0.1 -0.599 -0.34591756097561 -0.433689881318932 -0.262 -0.5816 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L05 compound treatment 0.662 1.01 1.0 0.485 0.843 0.78 0.683 0.93608243902439 1.17360182796226 1.7061 0.9869 3557828 ACon1_001183 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L06 compound treatment 0.351 0.696 0.69 0.985 1.34 1.24 0.275 0.52808243902439 0.662076853401634 1.4995 0.9555 2095398 ACon1_001184 CC(=CCCC1(C)Oc2ccc3c4cc(C)c(O)cc4[nH]c3c2C=C1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L07 mock treatment -0.154 0.191 0.19 -0.465 -0.107 -0.1 -0.012 0.24108243902439 0.302254138453347 0.2268 0.6119 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L08 mock treatment -0.429 -0.0839 -0.08 -0.356 0.00161 0.0 -0.241 0.01208243902439 0.0151482091043663 -0.0386 -0.4547 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L09 compound treatment -0.435 -0.0899 -0.09 -0.331 0.0266 0.02 -0.22 0.03308243902439 0.0414767004420458 -0.0134 -0.1324 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L10 compound treatment -0.356 -0.0109 -0.01 -0.519 -0.161 -0.15 -0.397 -0.14391756097561 -0.18043486940411 -0.1967 -0.8388 3558649 ACon1_001186 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@]31CC[C@](C)(CC(=O)O)O3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L11 compound treatment -1.169 -0.824 -0.82 -0.501 -0.143 -0.13 -0.504 -0.25091756097561 -0.314584801458001 -0.7312 -0.8239 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L12 compound treatment -1.286 -0.941 -0.94 -0.608 -0.25 -0.23 -0.498 -0.24491756097561 -0.307062375361521 -0.8512 -0.8416 3558613 ACon1_001188 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L13 compound treatment 0.865 1.21 1.2 0.961 1.32 1.22 0.115 0.36808243902439 0.461478824162171 1.6659 0.9385 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L14 compound treatment 0.774 1.12 1.11 0.134 0.492 0.46 0.669 0.92208243902439 1.15604950040381 1.5726 0.9429 3558993 ACon1_001190 CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L15 mock treatment 0.287 0.632 0.63 0.095 0.453 0.42 0.08 0.33308243902439 0.417598005266038 0.8459 0.9801 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L16 mock treatment -0.193 0.152 0.15 -0.452 -0.0944 -0.09 -0.585 -0.33191756097561 -0.416137553760479 -0.2034 -0.4508 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L17 compound treatment 1.551 1.9 1.49 0.277 0.635 0.59 0.517 0.77008243902439 0.965481372626321 1.759 0.9391 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L18 compound treatment -0.155 0.19 0.19 -0.442 -0.0844 -0.08 -0.202 0.05108243902439 0.0640439787314853 0.101 0.4712 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L19 compound treatment -0.419 -0.0739 -0.07 -0.063 0.295 0.27 -0.025 0.22808243902439 0.285955548577641 0.2802 0.6969 3559639 ACon1_001193 CC(=O)/C=C(\O)/C=C/c1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L20 compound treatment -0.817 -0.472 -0.47 -0.245 0.113 0.1 -0.343 -0.08991756097561 -0.112733034535791 -0.2758 -0.5586 3554658 ACon1_001194 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)c(O)c3)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L21 compound treatment -0.495 -0.15 -0.15 -0.53 -0.172 -0.16 -0.472 -0.21891756097561 -0.274465195610108 -0.3367 -0.9599 3557983 ACon1_001195 CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L22 compound treatment -0.11 0.235 0.23 -0.182 0.176 0.16 -0.694 -0.44091756097561 -0.552794961179863 -0.0904 -0.1453 3554257 ACon1_001196 CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L23 mock treatment -0.452 -0.107 -0.11 -0.084 0.274 0.25 -0.255 -0.00191756097561002 -0.0024041184540867 0.0835 0.3039 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 L24 mock treatment -0.755 -0.41 -0.41 -0.565 -0.207 -0.19 -0.21 0.04308243902439 0.0540140772695122 -0.315 -0.6942 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M01 compound treatment 0.956 1.3 1.29 -0.073 0.285 0.26 0.023 0.27608243902439 0.34613495734948 1.0988 0.8052 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M02 compound treatment -0.046 0.299 0.3 -0.557 -0.199 -0.18 0.123 0.37608243902439 0.471508725624144 0.3373 0.5744 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M03 compound treatment -0.116 0.229 0.23 -0.074 0.284 0.26 1.718 1.97108243902439 1.84336129690545 1.3474 0.7183 3557303 ACon1_001199 COc1cc(O)cc2CC(C)OC(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M04 compound treatment -0.284 0.0611 0.06 -0.587 -0.229 -0.21 -0.681 -0.42791756097561 -0.536496371304156 -0.3973 -0.6848 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M05 compound treatment 0.18 0.525 0.52 0.131 0.489 0.45 1.165 1.41808243902439 1.64780514523358 1.5139 0.8473 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M06 compound treatment 0.7 1.05 1.04 0.245 0.603 0.56 1.059 1.31208243902439 1.59975454621555 1.8456 0.9286 3558829 ACon1_001202 CC1CCCC2=CC(OC2=O)C(C)(C)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M07 compound treatment -0.758 -0.413 -0.41 -0.646 -0.288 -0.27 -0.553 -0.29991756097561 -0.376017947912586 -0.6083 -0.9852 3558899 ACon1_001203 CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M08 compound treatment -0.16 0.185 0.18 -0.314 0.0436 0.04 -0.245 0.00808243902438999 0.0101332583733797 0.1354 0.7177 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M09 mock treatment -0.416 -0.0709 -0.07 -0.36 -0.00239 0.0 -0.394 -0.14091756097561 -0.17667365635587 -0.144 -0.7569 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M10 mock treatment -0.161 0.184 0.18 -0.414 -0.0564 -0.05 -0.257 -0.00391756097561002 -0.00491159381957999 0.0727 0.3817 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M11 compound treatment 0.024 0.369 0.37 -0.063 0.295 0.27 -0.041 0.21208243902439 0.265895745653695 0.5228 0.9885 3558753 ACon1_001205 CC(=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)c4ccc(O)cc4O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M12 compound treatment 1.188 1.53 1.4 0.313 0.671 0.62 -0.022 0.23108243902439 0.289716761625881 1.3331 0.8561 3558895 ACon1_001206 C[C@H]1O[C@@H](OC(C)(C)C2CCC(=CC2)C)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M13 mock treatment 1.062 1.41 1.36 0.323 0.681 0.63 0.287 0.54008243902439 0.677121705594593 1.5391 0.9365 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M14 mock treatment 0.214 0.559 0.56 -0.34 0.0176 0.02 -0.252 0.00108243902438998 0.00135709459415323 0.3311 0.5954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M15 compound treatment 0.254 0.599 0.6 0.749 1.11 1.02 0.241 0.49408243902439 0.619449772188248 1.2931 0.9669 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M16 compound treatment 0.803 1.15 1.14 0.577 0.935 0.87 0.421 0.67408243902439 0.845122555082644 1.6465 0.99 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M17 compound treatment 0.513 0.858 0.85 0.125 0.483 0.45 -0.032 0.22108243902439 0.277179384798415 0.9105 0.9086 3558897 ACon1_001209 CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M18 compound treatment 0.058 0.403 0.4 0.222 0.58 0.54 0.185 0.43808243902439 0.549240461954436 0.8583 0.9909 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M19 compound treatment 0.112 0.457 0.45 0.235 0.593 0.55 0.056 0.30908243902439 0.387508300880119 0.8029 0.99 3553659 ACon1_001211 CC(C)CCCC/C=C\CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M20 compound treatment 0.409 0.754 0.75 0.089 0.447 0.41 0.297 0.55008243902439 0.68965908242206 1.0698 0.973 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M21 compound treatment -0.469 -0.124 -0.12 -1.151 -0.793 -0.73 -0.327 -0.07391756097561 -0.092673231611845 -0.5488 -0.7311 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M22 compound treatment -1.683 -1.34 -1.33 -2.073 -1.72 -1.59 -1.407 -1.15391756097561 -1.44670992897822 -2.5202 -0.9974 3559009 ACon1_001214 CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M23 compound treatment -0.101 0.244 0.24 -0.359 -0.00139 0.0 -0.106 0.14708243902439 0.184402796275163 0.2458 0.8066 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 M24 compound treatment -0.128 0.217 0.22 -0.708 -0.35 -0.32 -0.509 -0.25591756097561 -0.320853489871734 -0.248 -0.4913 3558423 ACon1_001216 C[C@]1(CCC[C@@]2(C)C3CCC4CC3(CC4=C)CCC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N01 compound treatment 3.228 3.57 1.74 2.358 2.72 1.53 1.8 2.05308243902439 1.8664723533751 2.9685 0.9968 1000005 ACon1_001217 CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N02 compound treatment 1.298 1.64 1.43 2.494 2.85 1.55 1.158 1.41108243902439 1.64476260428495 2.6708 0.9984 2119184 ACon1_001218 CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N03 compound treatment -0.044 0.301 0.3 -0.371 -0.0134 -0.01 -0.402 -0.14891756097561 -0.186703557817843 0.0579 0.1639 3553469 ACon1_001219 CC(C)(O)C1=CC23CC[C@H]4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N04 compound treatment -0.645 -0.3 -0.3 -1.167 -0.809 -0.75 -0.761 -0.50791756097561 -0.636795385923888 -0.9725 -0.9463 3614731 ACon1_001220 CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N05 compound treatment 0.441 0.786 0.78 0.237 0.595 0.55 0.215 0.46808243902439 0.586852592436835 1.1079 0.9877 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N06 compound treatment -0.214 0.131 0.13 -0.269 0.0886 0.08 -0.724 -0.47091756097561 -0.590407091662262 -0.2183 -0.3577 3559649 ACon1_001222 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N07 compound treatment -0.42 -0.0749 -0.07 -0.673 -0.315 -0.29 -0.323 -0.06991756097561 -0.0876582808808584 -0.2622 -0.8354 3553701 ACon1_001223 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N08 compound treatment -0.439 -0.0939 -0.09 -0.872 -0.514 -0.48 -0.599 -0.34591756097561 -0.433689881318932 -0.5793 -0.89 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N09 mock treatment -0.035 0.31 0.31 0.042 0.4 0.37 -0.009 0.24408243902439 0.306015351501587 0.5683 0.9959 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N10 mock treatment -0.453 -0.108 -0.11 -0.262 0.0956 0.09 -0.202 0.05108243902439 0.0640439787314853 0.0261 0.1707 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N11 compound treatment -0.663 -0.318 -0.32 -0.543 -0.185 -0.17 -0.344 -0.09091756097561 -0.113986772218538 -0.3474 -0.9207 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N12 compound treatment -0.243 0.102 0.1 -0.812 -0.454 -0.42 -0.473 -0.21991756097561 -0.275718933292855 -0.3435 -0.6694 1077975 ACon1_001226 COc1cc(CCC(=O)O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N13 mock treatment -0.046 0.299 0.3 -0.37 -0.0124 -0.01 -0.286 -0.03291756097561 -0.0412699866192326 0.1412 0.4701 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N14 mock treatment -0.175 0.17 0.17 -0.044 0.314 0.29 0.069 0.32208243902439 0.403806890755825 0.4984 0.9488 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N15 compound treatment -0.155 0.19 0.19 -0.306 0.0516 0.05 -0.219 0.03408243902439 0.0427304381247924 0.1614 0.8087 2060475 ACon1_001227 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N16 compound treatment -0.372 -0.0269 -0.03 -0.429 -0.0714 -0.07 -0.718 -0.46491756097561 -0.582884665565782 -0.3902 -0.6644 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N17 compound treatment -0.251 0.0941 0.09 -0.362 -0.00439 0.0 -0.212 0.04108243902439 0.0515066019040189 0.0814 0.7617 3559125 ACon1_001229 COc1ccc(cc1OC)C2OCC3[C@@H](OCC23)c4ccc(OC)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N18 compound treatment -0.134 0.211 0.21 -0.24 0.118 0.11 -0.121 0.13208243902439 0.165596731033963 0.2796 0.9688 3559207 ACon1_001230 CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)C=C4CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N19 compound treatment 0.094 0.439 0.44 -0.146 0.212 0.2 0.194 0.44708243902439 0.560524101099156 0.6888 0.9346 3559663 ACon1_001231 CC(=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N20 compound treatment -0.834 -0.489 -0.49 -1.651 -1.29 -1.2 -0.703 -0.44991756097561 -0.564078600324582 -1.2978 -0.9202 3559567 ACon1_001232 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=CC[C@@H]12)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N21 compound treatment -0.291 0.0541 0.05 -0.562 -0.204 -0.19 -0.354 -0.10091756097561 -0.126524149046004 -0.1513 -0.6467 3558313 ACon1_001233 COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N22 compound treatment -0.454 -0.109 -0.11 -0.214 0.144 0.13 -0.663 -0.40991756097561 -0.513929093014717 -0.2825 -0.5214 3554671 ACon1_001234 COC(=O)C1=C2C(Oc3cc(CO)cc(O)c3C2=O)C(O)C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N23 compound treatment 0.067 0.412 0.41 -0.197 0.161 0.15 -0.194 0.05908243902439 0.0740738801934585 0.3651 0.826 3558632 ACon1_001235 C/C=C(\C)/C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 N24 compound treatment -0.832 -0.487 -0.48 -0.386 -0.0284 -0.03 -0.49 -0.23691756097561 -0.297032473899548 -0.4662 -0.8199 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O01 compound treatment 1.134 1.48 1.38 0.865 1.22 1.13 0.801 1.05408243902439 1.32154287452637 2.2144 0.9966 3559908 ACon1_001237 CC1(CO)Oc2cc(O)c3c(=O)c(coc3c2C=C1)c4ccc(O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O02 compound treatment 0.089 0.434 0.43 -0.017 0.341 0.32 -0.144 0.10908243902439 0.136760764330791 0.5102 0.9247 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O03 compound treatment 0.084 0.429 0.43 -0.11 0.248 0.23 0.115 0.36808243902439 0.461478824162171 0.6451 0.9643 3553208 ACon1_001239 CC(=O)c1cc(C)c(O)c(COC2OC(CO)C(O)C(O)C2O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O04 compound treatment -0.427 -0.0819 -0.08 -0.746 -0.388 -0.36 -0.449 -0.19591756097561 -0.245629228906935 -0.3965 -0.8949 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O05 compound treatment 0.57 0.915 0.91 -0.341 0.0166 0.02 0.004 0.25708243902439 0.322313941377294 0.7202 0.7461 3558838 ACon1_001241 COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O06 compound treatment 1.868 2.21 1.56 2.125 2.48 1.5 2.416 2.66908243902439 2.00845691781503 2.9268 0.9911 3558830 ACon1_001242 CC(=O)OC1/C=C(/CCC=C(C)C(=O)C=CC1(C)C)\C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O07 compound treatment -0.425 -0.0799 -0.08 -0.548 -0.19 -0.18 -0.384 -0.13091756097561 -0.164136279528404 -0.2424 -0.9558 3554193 ACon1_001243 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O08 compound treatment 0.219 0.564 0.56 -0.363 -0.00539 0.0 -0.406 -0.15291756097561 -0.19171850854883 0.2102 0.3547 3558870 ACon1_001244 CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O09 compound treatment -0.02 0.325 0.32 -0.28 0.0776 0.07 -0.431 -0.17791756097561 -0.223061950617496 0.0993 0.2487 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O10 compound treatment -0.164 0.181 0.18 0.112 0.47 0.43 0.215 0.46808243902439 0.586852592436835 0.6938 0.9223 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O11 mock treatment -0.234 0.111 0.11 -0.296 0.0616 0.06 -0.074 0.17908243902439 0.224522402123056 0.2263 0.8819 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O12 mock treatment -0.554 -0.209 -0.21 -0.302 0.0556 0.05 -0.401 -0.14791756097561 -0.185449820135097 -0.1973 -0.6966 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O13 compound treatment 0.329 0.674 0.67 0.539 0.897 0.83 -0.256 -0.00291756097561002 -0.00365785613683334 0.8641 0.8099 3558794 ACon1_001247 CCCCCCCCCCCC(O)CC(=O)OCC(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O14 compound treatment -0.339 0.00607 0.01 -0.676 -0.318 -0.29 -0.135 0.11808243902439 0.14804440347551 -0.0813 -0.2463 3555946 ACon1_001248 OC1CCC(O)(C(=O)O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O15 compound treatment -0.136 0.209 0.21 -0.175 0.183 0.17 0.009 0.26208243902439 0.328582629791027 0.4073 0.9607 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O16 compound treatment 1.364 1.71 1.45 0.921 1.28 1.18 1.1 1.35308243902439 1.61885565206827 2.4541 0.9921 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O17 compound treatment -0.083 0.262 0.26 -0.203 0.155 0.14 -0.084 0.16908243902439 0.211985025295589 0.3555 0.9736 3558900 ACon1_001251 CCC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O18 compound treatment 0.608 0.953 0.95 -0.206 0.152 0.14 -0.268 -0.01491756097561 -0.0187027083297931 0.6173 0.6443 3557674 ACon1_001252 OC1COC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O19 compound treatment -0.687 -0.342 -0.34 -0.639 -0.281 -0.26 -0.725 -0.47191756097561 -0.591660829345009 -0.6883 -0.9423 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O20 compound treatment -0.143 0.202 0.2 -0.602 -0.244 -0.23 -0.474 -0.22091756097561 -0.276972670975601 -0.1746 -0.4256 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O21 compound treatment 2.057 2.4 1.59 1.017 1.37 1.26 0.353 0.60608243902439 0.759868392655872 2.0872 0.9619 3555821 ACon1_001255 OC(=O)C(CCCCCCOC(=O)C(=O)OCCCCCCC(C(=O)O)C(=C)C(=O)O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O22 compound treatment -1.317 -0.972 -0.97 -1.687 -1.33 -1.23 -1.124 -0.87091756097561 -1.09190216476092 -1.899 -0.9952 3559011 ACon1_001256 CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O23 compound treatment -0.904 -0.559 -0.56 -0.224 0.134 0.12 -0.215 0.03808243902439 0.047745388855779 -0.2218 -0.3883 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 O24 compound treatment -0.208 0.137 0.14 -0.215 0.143 0.13 -0.221 0.03208243902439 0.0402229627592991 0.1781 0.9184 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P01 compound treatment -2.051 -1.71 -1.7 -3.896 -3.54 -3.28 -1.454 -1.20091756097561 -1.50563560006731 -3.7401 -0.9386 1104287 ACon1_001259 CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P02 compound treatment 1.507 1.85 1.48 1.757 2.11 1.44 1.046 1.29908243902439 1.59355478358691 2.6084 0.9991 3559023 ACon1_001260 CC(=C)C(=O)OC1CC(CO)CCC/C(=C/C2OC(=O)C(=C)C21)/CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P03 compound treatment 0.092 0.437 0.43 0.57 0.928 0.86 0.288 0.54108243902439 0.67837544327734 1.1384 0.9667 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P04 compound treatment -0.332 0.0131 0.01 -0.398 -0.0404 -0.04 -0.516 -0.26291756097561 -0.32962965365096 -0.2044 -0.6157 3554885 ACon1_001262 COc1cc(ccc1O)C2Oc3c(C2CO)c(ccc3O)[C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P05 compound treatment 0.943 1.29 1.28 -0.229 0.129 0.12 -0.071 0.18208243902439 0.228283615171295 0.9399 0.7196 1034727 ACon1_001263 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P06 compound treatment -1.58 -1.23 -1.23 -1.38 -1.02 -0.95 -1.099 -0.84591756097561 -1.06055872269225 -1.8677 -0.9943 3559423 ACon1_001264 OCC(Cc1ccc2OCOc2c1)C(CO)Cc3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P07 compound treatment -1.77 -1.42 -1.42 -1.348 -0.99 -0.92 -0.973 -0.71991756097561 -0.902587774666176 -1.8685 -0.9763 1096015 ACon1_001265 CC12CC(O)CC(C)(C)C2=CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P08 compound treatment -0.544 -0.199 -0.2 -0.012 0.346 0.32 -0.118 0.13508243902439 0.169357944082203 0.1684 0.4081 1115322 ACon1_001266 COc1ccn(C)c(=O)c1C#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P09 compound treatment -0.605 -0.26 -0.26 -0.446 -0.0884 -0.08 -0.565 -0.31191756097561 -0.391062800105546 -0.4222 -0.8874 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P10 compound treatment 0.035 0.38 0.38 -0.042 0.316 0.29 -0.071 0.18208243902439 0.228283615171295 0.5187 0.9797 288 ACon1_001268 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P11 mock treatment -0.929 -0.584 -0.58 -0.276 0.0816 0.08 -0.333 -0.07991756097561 -0.100195657708325 -0.3494 -0.5883 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P12 mock treatment -0.48 -0.135 -0.13 -0.386 -0.0284 -0.03 -0.121 0.13208243902439 0.165596731033963 0.003 0.0139 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P13 compound treatment -0.47 -0.125 -0.12 -0.743 -0.385 -0.36 -0.534 -0.28091756097561 -0.3521969319404 -0.4811 -0.9314 3558980 ACon1_001269 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(CO)CCCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P14 compound treatment -0.333 0.0121 0.01 -0.194 0.164 0.15 -0.079 0.17408243902439 0.218253713709322 0.2204 0.8287 3558996 ACon1_001270 CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P15 compound treatment -0.21 0.135 0.13 -0.257 0.101 0.09 -0.412 -0.15891756097561 -0.19924093464531 0.0163 0.0632 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P16 compound treatment -0.396 -0.0509 -0.05 -0.467 -0.109 -0.1 -0.2 0.05308243902439 0.0665514540969786 -0.0493 -0.3753 3559197 ACon1_001272 CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]2O[C@H]2c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P17 compound treatment 0.714 1.06 1.05 -0.402 -0.0444 -0.04 -0.132 0.12108243902439 0.15180561652375 0.6718 0.6311 3559114 ACon1_001273 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P18 compound treatment -0.899 -0.554 -0.55 -0.767 -0.409 -0.38 -0.505 -0.25191756097561 -0.315838539140747 -0.7192 -0.9726 1025510 ACon1_001274 COc1ccc(cc1OC)C2OCC3(O)C(OCC23)c4ccc(OC)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P19 compound treatment -0.156 0.189 0.19 -0.333 0.0246 0.02 -0.337 -0.08391756097561 -0.105210608439311 0.0609 0.2813 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P20 compound treatment -0.775 -0.43 -0.43 -0.478 -0.12 -0.11 -0.674 -0.42091756097561 -0.52772020752493 -0.6158 -0.8948 3552212 ACon1_001276 C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P21 compound treatment -0.482 -0.137 -0.14 -0.551 -0.193 -0.18 -0.516 -0.26291756097561 -0.32962965365096 -0.3723 -0.9329 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P22 compound treatment 0.987 1.33 1.32 0.186 0.544 0.5 0.479 0.73208243902439 0.917839340681949 1.5851 0.939 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P23 compound treatment -0.357 -0.0119 -0.01 -0.163 0.195 0.18 -0.194 0.05908243902439 0.0740738801934585 0.14 0.717 3557752 ACon1_001279 OCC1OC(Oc2cc(O)c3C(=O)C(O)C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2293 P24 compound treatment -1.315 -0.97 -0.96 -0.333 0.0246 0.02 -0.402 -0.14891756097561 -0.186703557817843 -0.6514 -0.663 1102176 ACon1_001280 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A01 compound treatment 0.257 0.602 0.6 -0.186 0.172 0.16 -0.032 0.22108243902439 0.277179384798415 0.5973 0.8804 3555976 ACon1_001281 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A02 compound treatment -0.535 -0.19 -0.19 -1.107 -0.749 -0.69 -0.79 -0.53691756097561 -0.67315377872354 -0.8983 -0.9119 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A03 compound treatment 0.027 0.372 0.37 -0.082 0.276 0.26 0.168 0.42108243902439 0.527926921347743 0.6657 0.9602 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A04 compound treatment 1.266 1.61 1.42 1.265 1.62 1.33 0.745 0.99808243902439 1.25133356429256 2.3129 0.9987 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A05 compound treatment 1.598 1.94 1.5 0.837 1.19 1.11 0.573 0.82608243902439 1.03569068286013 2.1051 0.9859 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A06 compound treatment 1.231 1.58 1.41 0.589 0.947 0.88 0.309 0.56208243902439 0.704703934615019 1.7276 0.9574 3559109 ACon1_001286 COc1c(O)c(O)cc2ccc3cccc(O)c3c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A07 compound treatment -0.449 -0.104 -0.1 -0.272 0.0856 0.08 -0.146 0.10708243902439 0.134253288965297 0.0636 0.3401 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A08 compound treatment -0.632 -0.287 -0.29 -0.56 -0.202 -0.19 -0.166 0.08708243902439 0.109178535310364 -0.2099 -0.5856 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A09 compound treatment -0.957 -0.612 -0.61 -1.865 -1.51 -1.4 -0.613 -0.35991756097561 -0.451242208877385 -1.4176 -0.8927 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A10 compound treatment -0.728 -0.383 -0.38 -0.795 -0.437 -0.4 -0.563 -0.30991756097561 -0.388555324740052 -0.678 -0.9997 3559247 ACon1_001290 COc1c(C)c(O)c(C)c(O)c1C(=O)CCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A11 compound treatment -0.708 -0.363 -0.36 -0.116 0.242 0.22 -0.5 -0.24691756097561 -0.309569850727014 -0.2579 -0.4908 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A12 compound treatment 0.858 1.2 1.2 -0.09 0.268 0.25 -0.412 -0.15891756097561 -0.19924093464531 0.7186 0.5806 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A13 mock treatment -0.38 -0.0349 -0.03 -0.47 -0.112 -0.1 -0.192 0.06108243902439 0.0765813555589518 -0.0359 -0.2685 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A14 mock treatment -0.485 -0.14 -0.14 -0.566 -0.208 -0.19 -0.517 -0.26391756097561 -0.330883391333707 -0.3828 -0.9392 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A15 compound treatment -0.064 0.281 0.28 -0.421 -0.0634 -0.06 -0.158 0.09508243902439 0.119208436772338 0.1963 0.6343 2097145 ACon1_001293 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(CC(C)C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A16 compound treatment -0.256 0.0891 0.09 -0.788 -0.43 -0.4 -0.725 -0.47191756097561 -0.591660829345009 -0.5206 -0.7242 3559137 ACon1_001294 O=C(CCc1ccccc1)/C=C/CCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A17 compound treatment 0.131 0.476 0.47 0.004 0.362 0.33 -0.065 0.18808243902439 0.235806041267775 0.6027 0.963 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A18 compound treatment 0.106 0.451 0.45 0.256 0.614 0.57 -0.001 0.25208243902439 0.31604525296356 0.7694 0.9742 3559173 ACon1_001296 COc1cc(OC)c(cc1OC)C(O)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A19 compound treatment -1.458 -1.11 -1.11 -0.736 -0.378 -0.35 -0.742 -0.48891756097561 -0.612974369951702 -1.195 -0.9105 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A20 compound treatment -0.954 -0.609 -0.61 -0.679 -0.321 -0.3 -0.578 -0.32491756097561 -0.407361389981252 -0.7565 -0.96 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A21 compound treatment -0.535 -0.19 -0.19 -0.168 0.19 0.18 0.074 0.32708243902439 0.410075579169559 0.2291 0.473 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A22 compound treatment -1.532 -1.19 -1.18 -1.336 -0.978 -0.91 -0.703 -0.44991756097561 -0.564078600324582 -1.53 -0.9616 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A23 compound treatment -0.801 -0.456 -0.45 -0.15 0.208 0.19 -0.289 -0.03591756097561 -0.0450311996674725 -0.1767 -0.3574 2089505 ACon1_001301 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 A24 compound treatment 0.026 0.371 0.37 -0.306 0.0516 0.05 -0.468 -0.21491756097561 -0.269450244879122 0.085 0.1851 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B01 compound treatment 1.333 1.68 1.44 0.674 1.03 0.96 0.91 1.16308243902439 1.45820028194575 2.2245 0.984 3553926 ACon1_001303 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B02 compound treatment -0.225 0.12 0.12 -1.081 -0.723 -0.67 -0.581 -0.32791756097561 -0.411122603029492 -0.5552 -0.6984 3614774 ACon1_001304 CCCC(O)c1c(O)cccc1C(=O)CC(O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B03 compound treatment -0.722 -0.377 -0.37 -1.435 -1.08 -1.0 -0.823 -0.56991756097561 -0.714527122254179 -1.2049 -0.9391 3553162 ACon1_001305 C[C@H]1OC(=O)c2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B04 compound treatment 0.322 0.667 0.66 -0.337 0.0206 0.02 -0.281 -0.02791756097561 -0.0350012982054994 0.3737 0.5625 3614776 ACon1_001306 COc1ccc(/C=C/c2cc(OC)cc3OC(C)(C)CCc23)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B05 compound treatment 0.162 0.507 0.5 0.0 0.358 0.33 0.203 0.45608243902439 0.571807740243875 0.8124 0.9774 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B06 compound treatment 0.638 0.983 0.98 0.027 0.385 0.36 0.775 1.02808243902439 1.28894569477495 1.514 0.9141 1032451 ACon1_001308 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B07 compound treatment 0.075 0.42 0.42 -0.168 0.19 0.18 0.262 0.51508243902439 0.645778263525927 0.7153 0.9068 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B08 compound treatment -0.62 -0.275 -0.27 -1.12 -0.762 -0.71 -0.519 -0.26591756097561 -0.3333908666992 -0.7579 -0.9162 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B09 compound treatment -0.41 -0.0649 -0.06 -0.364 -0.00639 -0.01 -0.494 -0.24091756097561 -0.302047424630534 -0.2151 -0.6962 3614791 ACon1_001311 CCC(C)CCC(O)C1=C(C)C(O)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B10 compound treatment -0.892 -0.547 -0.54 -1.015 -0.657 -0.61 0.222 0.47508243902439 0.595628756216062 -0.3215 -0.3182 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B11 compound treatment -0.563 -0.218 -0.22 -0.773 -0.415 -0.38 -0.267 -0.01391756097561 -0.0174489706470464 -0.3572 -0.8086 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B12 compound treatment -0.991 -0.646 -0.64 -0.932 -0.574 -0.53 -0.489 -0.23591756097561 -0.295778736216801 -0.8486 -0.9592 3614796 ACon1_001314 COc1c(C)c(OC/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(O)CO)cc(CO)c1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B13 mock treatment 0.457 0.802 0.8 1.186 1.54 1.31 0.726 0.97908243902439 1.22751254832037 1.9269 0.9801 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B14 mock treatment -0.271 0.0741 0.07 -0.415 -0.0574 -0.05 -0.074 0.17908243902439 0.224522402123056 0.1415 0.5841 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B15 compound treatment -0.321 0.0241 0.02 -0.328 0.0296 0.03 -0.268 -0.01491756097561 -0.0187027083297931 0.0188 0.4606 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B16 compound treatment 1.423 1.77 1.46 4.628 4.99 1.72 3.42 3.67308243902439 2.16411593562743 3.0899 0.9871 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B17 compound treatment -0.321 0.0241 0.02 0.018 0.376 0.35 0.023 0.27608243902439 0.34613495734948 0.4145 0.8436 3614807 ACon1_001317 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)c(O)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B18 compound treatment -0.306 0.0391 0.04 0.053 0.411 0.38 -0.042 0.21108243902439 0.264642007970948 0.3947 0.8491 3614809 ACon1_001318 COc1ccc2nccc(C(O)C3CC4CC[N+]3([O-])CC4C=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B19 compound treatment -0.55 -0.205 -0.2 -0.222 0.136 0.13 -0.161 0.09208243902439 0.115447223724098 0.0215 0.081 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B20 compound treatment -0.664 -0.319 -0.32 -0.655 -0.297 -0.28 -0.379 -0.12591756097561 -0.15786759111467 -0.4332 -0.9655 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B21 compound treatment -0.301 0.0441 0.04 0.007 0.365 0.34 -0.14 0.11308243902439 0.141775715061777 0.3021 0.8191 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B22 compound treatment -0.883 -0.538 -0.53 -1.327 -0.969 -0.9 -1.195 -0.94191756097561 -1.18091754023593 -1.5088 -0.9569 1099690 ACon1_001322 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5ccc(OC)cc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B23 compound treatment -0.68 -0.335 -0.33 -0.404 -0.0464 -0.04 -0.25 0.00308243902438998 0.00386456995964652 -0.2148 -0.6398 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 B24 compound treatment -0.554 -0.209 -0.21 -0.353 0.00461 0.0 -0.056 0.19708243902439 0.247089680412495 0.0252 0.0781 3614822 ACon1_001324 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C01 compound treatment 2.603 2.95 1.67 1.235 1.59 1.33 0.392 0.64508243902439 0.808764162282991 2.1979 0.9631 3180147 ACon1_001325 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C02 compound treatment -0.511 -0.166 -0.16 -0.556 -0.198 -0.18 0.065 0.31808243902439 0.398791940024839 0.0289 0.0617 3558915 ACon1_001326 Oc1ccc(cc1)C2Oc3cc(O)cc(O)c3C(=O)C2C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C03 compound treatment -0.6 -0.255 -0.25 -0.475 -0.117 -0.11 -0.17 0.08308243902439 0.104163584579378 -0.1489 -0.5053 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C04 compound treatment 0.055 0.4 0.4 0.035 0.393 0.36 0.152 0.40508243902439 0.507867118423797 0.7327 0.9896 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C05 compound treatment 0.196 0.541 0.54 -0.307 0.0506 0.05 -0.04 0.21308243902439 0.267149483336441 0.4919 0.8165 3554661 ACon1_001329 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C06 compound treatment -0.168 0.177 0.18 -0.328 0.0296 0.03 -0.161 0.09208243902439 0.115447223724098 0.1841 0.8673 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C07 compound treatment 0.271 0.616 0.61 0.165 0.523 0.48 0.283 0.53608243902439 0.672106754863607 1.021 0.9912 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C08 compound treatment -0.181 0.164 0.16 -0.618 -0.26 -0.24 0.126 0.37908243902439 0.475269938672384 0.2294 0.4115 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C09 compound treatment -0.706 -0.361 -0.36 -0.389 -0.0314 -0.03 -0.583 -0.32991756097561 -0.413630078394985 -0.4628 -0.8439 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C10 compound treatment -0.108 0.237 0.24 0.582 0.94 0.87 -0.609 -0.35591756097561 -0.446227258146398 0.3808 0.3786 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C11 mock treatment -0.5 -0.155 -0.15 -0.224 0.134 0.12 -0.315 -0.06191756097561 -0.0776283794188852 -0.0623 -0.2936 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C12 mock treatment -0.159 0.186 0.18 -0.369 -0.0114 -0.01 -0.258 -0.00491756097561002 -0.00616533150232663 0.0971 0.524 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C13 compound treatment 1.045 1.39 1.35 0.486 0.844 0.78 0.032 0.28508243902439 0.3574185964942 1.4384 0.8976 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C14 compound treatment 0.262 0.607 0.6 -0.482 -0.124 -0.12 -0.122 0.13108243902439 0.164342993351217 0.3768 0.5925 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C15 mock treatment -0.017 0.328 0.33 -0.088 0.27 0.25 0.059 0.31208243902439 0.391269513928359 0.5583 0.9843 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C16 mock treatment -0.378 -0.0329 -0.03 -0.428 -0.0704 -0.07 -0.124 0.12908243902439 0.161835517985723 0.0369 0.2079 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C17 compound treatment -0.362 -0.0169 -0.02 -0.5 -0.142 -0.13 -0.101 0.15208243902439 0.190671484688896 0.0242 0.1043 3555977 ACon1_001337 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C18 compound treatment -0.107 0.238 0.24 -0.742 -0.384 -0.36 -0.762 -0.50891756097561 -0.638049123606634 -0.4372 -0.5693 3559187 ACon1_001338 CC(C)C[C@@](O)(CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C19 compound treatment 0.256 0.601 0.6 0.102 0.46 0.43 0.105 0.35808243902439 0.448941447334704 0.8499 0.9882 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C20 compound treatment -0.595 -0.25 -0.25 -0.618 -0.26 -0.24 -0.451 -0.19791756097561 -0.248136704272429 -0.4259 -0.9999 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C21 compound treatment 1.308 1.65 1.43 0.474 0.832 0.77 -0.123 0.13008243902439 0.16308925566847 1.366 0.8356 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C22 compound treatment -0.648 -0.303 -0.3 -0.439 -0.0814 -0.08 0.041 0.29408243902439 0.368702235638919 -0.0045 -0.0094 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C23 compound treatment 1.841 2.19 1.55 1.381 1.74 1.36 0.738 0.99108243902439 1.24255740051333 2.4013 0.9957 3554240 ACon1_001343 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 C24 compound treatment -0.524 -0.179 -0.18 -0.195 0.163 0.15 -0.298 -0.04491756097561 -0.0563148388121923 -0.0483 -0.2014 3555026 ACon1_001344 COc1cc2[C@@H]3CCN4CC=C[C@]56CC[C@H]3[C@]64N(C(=O)C5)c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D01 compound treatment -1.075 -0.73 -0.73 -0.594 -0.236 -0.22 -0.555 -0.30191756097561 -0.378525423278079 -0.7639 -0.9016 3553596 ACon1_001345 CC(C)C1NC(=O)/C(=C/c2c[nH]cn2)/NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D02 compound treatment -0.174 0.171 0.17 -0.363 -0.00539 0.0 -0.1 0.15308243902439 0.191925222371643 0.2061 0.8036 3614835 ACon1_001346 OCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D03 compound treatment 2.332 2.68 1.64 0.886 1.24 1.15 2.82 3.07308243902439 2.07955397594288 2.8098 0.9738 3559559 ACon1_001347 C[C@@H]1C2[C@@H](CC(C)C(=O)C/C=C(\C)/C[C@@H]2O)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D04 compound treatment -0.914 -0.569 -0.57 -0.403 -0.0454 -0.04 -0.435 -0.18191756097561 -0.228076901348482 -0.4825 -0.7893 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D05 compound treatment 0.403 0.748 0.74 -0.114 0.244 0.23 -0.098 0.15508243902439 0.194432697737136 0.6719 0.8387 3614840 ACon1_001349 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D06 compound treatment -1.533 -1.19 -1.18 -1.444 -1.09 -1.01 -1.078 -0.82491756097561 -1.03423023135457 -1.8597 -0.9975 3614842 ACon1_001350 COc1cc(OC)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(OC)c2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D07 compound treatment 0.399 0.744 0.74 0.137 0.495 0.46 0.19 0.44308243902439 0.555509150368169 1.0122 0.9806 1054271 ACon1_001351 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D08 compound treatment 1.362 1.71 1.45 1.678 2.04 1.43 1.61 1.86308243902439 1.81097676760808 2.7044 0.9937 3614846 ACon1_001352 CC/C=C/c1ccc(C)cc1\C=C\CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D09 compound treatment -0.897 -0.552 -0.55 -0.145 0.213 0.2 -0.242 0.01108243902439 0.0138944714216197 -0.1951 -0.3346 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D10 compound treatment 1.29 1.64 1.43 1.19 1.55 1.31 0.908 1.16108243902439 1.45569280658026 2.4232 0.999 3614853 ACon1_001354 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D11 mock treatment -0.491 -0.146 -0.15 -0.065 0.293 0.27 -0.048 0.20508243902439 0.257119581874468 0.2211 0.5518 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D12 mock treatment -0.057 0.288 0.29 -0.393 -0.0354 -0.03 -0.293 -0.03991756097561 -0.0500461503984591 0.1175 0.4017 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D13 compound treatment 1.171 1.52 1.39 0.554 0.912 0.84 0.065 0.31808243902439 0.398791940024839 1.522 0.9075 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D14 compound treatment -0.361 -0.0159 -0.02 -0.071 0.287 0.27 -0.278 -0.02491756097561 -0.0312400851572595 0.126 0.4708 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D15 mock treatment 0.022 0.367 0.36 0.209 0.567 0.52 -0.002 0.25108243902439 0.314791515280814 0.6953 0.976 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D16 mock treatment -0.541 -0.196 -0.19 -0.254 0.104 0.1 -0.142 0.11108243902439 0.139268239696284 0.0233 0.0905 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D17 compound treatment 1.245 1.59 1.42 0.198 0.556 0.51 0.357 0.61008243902439 0.764883343386858 1.5557 0.9211 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D18 compound treatment -0.208 0.137 0.14 -0.285 0.0726 0.07 -0.267 -0.01391756097561 -0.0174489706470464 0.1074 0.7023 1099692 ACon1_001358 CCC1C2N3CCC24C(=C(C1CC3)C(=O)OC)Nc5ccccc54 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D19 compound treatment 0.039 0.384 0.38 -0.265 0.0926 0.09 -0.244 0.00908243902438999 0.0113869960561264 0.2765 0.7063 3614868 ACon1_001359 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C1=CC(=O)C(C)CO1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D20 compound treatment -0.934 -0.589 -0.59 -0.077 0.281 0.26 -0.601 -0.34791756097561 -0.436197356684425 -0.4399 -0.5676 3614872 ACon1_001360 CCC1CC2CC3(C1N(CCc4c3[nH]c5ccc(OC)cc45)C2=O)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D21 compound treatment 0.222 0.567 0.56 0.529 0.887 0.82 -0.132 0.12108243902439 0.15180561652375 0.8871 0.8806 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D22 compound treatment -0.265 0.0801 0.08 -0.578 -0.22 -0.2 -0.675 -0.42191756097561 -0.528973945207676 -0.3773 -0.6589 3614877 ACon1_001362 CC(C)C(NC=O)C(=O)N1CCC2Oc3ccc(/C=C\NC(=O)C(Cc4ccccc4)NC(=O)C21)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D23 compound treatment -0.923 -0.578 -0.57 -0.247 0.111 0.1 -0.338 -0.08491756097561 -0.106464346122058 -0.3341 -0.5631 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 D24 compound treatment -1.597 -1.25 -1.24 -0.568 -0.21 -0.19 -0.296 -0.04291756097561 -0.053807363446699 -0.8621 -0.6837 3614885 ACon1_001364 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)[N+]4([O-])C\C5=C\C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E01 mock treatment -0.325 0.0201 0.02 -0.724 -0.366 -0.34 -0.439 -0.18591756097561 -0.233091852079469 -0.3189 -0.7739 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E02 mock treatment -0.457 -0.112 -0.11 -0.537 -0.179 -0.17 -0.535 -0.28191756097561 -0.353450669623147 -0.3642 -0.8969 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E03 compound treatment -0.367 -0.0219 -0.02 -0.312 0.0456 0.04 -0.145 0.10808243902439 0.135507026648044 0.09 0.6269 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E04 compound treatment -0.211 0.134 0.13 -0.357 6.1E-4 0.0 -0.19 0.06308243902439 0.079088830924445 0.1229 0.7932 3472823 ACon1_001366 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E05 compound treatment 0.014 0.359 0.36 -0.647 -0.289 -0.27 -1.194 -0.94091756097561 -1.17966380255318 -0.6297 -0.4992 3554702 ACon1_001367 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E06 compound treatment -0.685 -0.34 -0.34 -0.08 0.278 0.26 -0.244 0.00908243902438999 0.0113869960561264 -0.0401 -0.0945 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E07 compound treatment 0.413 0.758 0.75 -0.19 0.168 0.16 0.016 0.26908243902439 0.337358793570253 0.7195 0.8564 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E08 compound treatment -1.061 -0.716 -0.71 -0.571 -0.213 -0.2 -0.411 -0.15791756097561 -0.197987196962563 -0.6393 -0.836 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E09 mock treatment 0.254 0.599 0.6 -0.439 -0.0814 -0.08 -0.245 0.00808243902438999 0.0101332583733797 0.3062 0.51 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E10 mock treatment -0.073 0.272 0.27 0.019 0.377 0.35 -0.139 0.11408243902439 0.143029452744524 0.4401 0.9486 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E11 compound treatment -0.904 -0.559 -0.56 -0.211 0.147 0.14 -0.269 -0.01591756097561 -0.0199564460125397 -0.254 -0.4437 3554750 ACon1_001371 COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E12 compound treatment -1.0 -0.655 -0.65 -1.336 -0.978 -0.91 -0.576 -0.32291756097561 -0.404853914615759 -1.1327 -0.9544 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E13 compound treatment -0.674 -0.329 -0.33 -0.398 -0.0404 -0.04 -0.252 0.00108243902438998 0.00135709459415323 -0.2096 -0.6368 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E14 compound treatment -0.835 -0.49 -0.49 -0.888 -0.53 -0.49 -0.546 -0.29291756097561 -0.36724178413336 -0.7768 -0.9919 3558010 ACon1_001374 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO)C(O)C(O)C4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E15 compound treatment 0.419 0.764 0.76 0.065 0.423 0.39 0.067 0.32008243902439 0.401299415390332 0.8962 0.9493 3554188 ACon1_001375 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E16 compound treatment -0.337 0.00807 0.01 -0.514 -0.156 -0.14 -0.556 -0.30291756097561 -0.379779160960826 -0.2982 -0.7336 3557363 ACon1_001376 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E17 mock treatment 0.024 0.369 0.37 -0.289 0.0686 0.06 -0.319 -0.06591756097561 -0.0826433301498718 0.2008 0.5264 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E18 mock treatment -0.221 0.124 0.12 0.074 0.432 0.4 -0.157 0.09608243902439 0.120462174455084 0.3715 0.8535 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E19 compound treatment -0.647 -0.302 -0.3 -0.433 -0.0754 -0.07 -0.463 -0.20991756097561 -0.263181556465388 -0.3656 -0.902 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E20 compound treatment -0.833 -0.488 -0.49 -0.415 -0.0574 -0.05 -0.551 -0.29791756097561 -0.373510472547093 -0.5264 -0.8566 3557369 ACon1_001378 CC1(C[C@@H](O)[C@H]2C3[C@H]1O)C2(C)CCC[C@]3(C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E21 compound treatment -0.508 -0.163 -0.16 -0.877 -0.519 -0.48 -0.18 0.07308243902439 0.0916262077519115 -0.3183 -0.6172 3553566 ACon1_001379 CC(C)c1cc2CCC3C(C)(COC(=O)C)C[C@H](O)C[C@]3(C)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E22 compound treatment -0.838 -0.493 -0.49 -0.691 -0.333 -0.31 -0.558 -0.30491756097561 -0.382286636326319 -0.6819 -0.9826 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E23 compound treatment -0.593 -0.248 -0.25 -0.569 -0.211 -0.2 -0.331 -0.07791756097561 -0.0976881823428315 -0.3117 -0.9459 3553861 ACon1_001381 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 E24 compound treatment -0.294 0.0511 0.05 0.275 0.633 0.59 0.149 0.40208243902439 0.504105905375557 0.6585 0.8503 3557439 ACon1_001382 OC(=O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F01 mock treatment 0.094 0.439 0.44 0.837 1.19 1.11 0.141 0.39408243902439 0.494076003913584 1.1759 0.9132 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F02 mock treatment -0.194 0.151 0.15 -0.322 0.0356 0.03 -0.243 0.01008243902439 0.012640733738873 0.113 0.7327 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F03 compound treatment -0.165 0.18 0.18 -0.685 -0.327 -0.3 -0.496 -0.24291756097561 -0.304554899996027 -0.2475 -0.5317 3559574 ACon1_001383 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F04 compound treatment -0.446 -0.101 -0.1 -0.787 -0.429 -0.4 -0.2 0.05308243902439 0.0665514540969786 -0.2491 -0.5995 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F05 compound treatment 0.426 0.771 0.77 -0.121 0.237 0.22 0.614 0.86708243902439 1.08709392785275 1.1967 0.8877 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F06 compound treatment -0.674 -0.329 -0.33 -0.068 0.29 0.27 -0.753 -0.49991756097561 -0.626765484461915 -0.3958 -0.5235 2119735 ACon1_001386 C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F07 compound treatment 0.466 0.811 0.81 1.246 1.6 1.33 0.836 1.08908243902439 1.3654236934225 2.021 0.9769 3614907 ACon1_001387 CCCCCCCC(O)/C=C\C(O)CCC(O)CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F08 compound treatment -0.516 -0.171 -0.17 -0.538 -0.18 -0.17 -0.23 0.02308243902439 0.0289393236145793 -0.1778 -0.7409 3614911 ACon1_001388 COc1cc(ccc1O)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)c5ccc(O)c(OC)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F09 mock treatment 0.273 0.618 0.61 -0.255 0.103 0.1 -0.118 0.13508243902439 0.169357944082203 0.5074 0.7874 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F10 mock treatment -0.152 0.193 0.19 -0.434 -0.0764 -0.07 -0.145 0.10808243902439 0.135507026648044 0.1482 0.604 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F11 compound treatment -0.858 -0.513 -0.51 -0.473 -0.115 -0.11 -0.305 -0.05191756097561 -0.0650910025914188 -0.3937 -0.7498 3614913 ACon1_001389 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F12 compound treatment -0.412 -0.0669 -0.07 -0.009 0.349 0.32 -0.166 0.08708243902439 0.109178535310364 0.211 0.6077 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F13 compound treatment -0.589 -0.244 -0.24 -0.804 -0.446 -0.41 -0.119 0.13408243902439 0.168104206399457 -0.2816 -0.5545 3614920 ACon1_001391 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F14 compound treatment 0.356 0.701 0.7 0.919 1.28 1.18 0.256 0.50908243902439 0.638255837429447 1.4534 0.9603 3614922 ACon1_001392 OC/C=C\1/CN2CCC3(C2CC1C4=CCC(=O)N5C43)c6ccccc56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F15 compound treatment -0.255 0.0901 0.09 -0.364 -0.00639 -0.01 -0.325 -0.07191756097561 -0.0901657562463517 -0.0038 -0.0297 3614924 ACon1_001393 CC(C)CCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F16 compound treatment -0.617 -0.272 -0.27 -1.035 -0.677 -0.63 -0.977 -0.72391756097561 -0.907602725397162 -1.0422 -0.9175 1244529 ACon1_001394 CN1CCc2cc3OCOc3c4-c5ccccc5CC1c24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F17 mock treatment 0.682 1.03 1.02 0.353 0.711 0.66 0.841 1.09408243902439 1.37169238183623 1.7614 0.9613 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F18 mock treatment 0.145 0.49 0.49 -0.026 0.332 0.31 -0.591 -0.33791756097561 -0.423659979856958 0.214 0.2993 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F19 compound treatment 1.025 1.37 1.35 0.31 0.668 0.62 0.41 0.66308243902439 0.83133144057243 1.6139 0.9502 3614927 ACon1_001395 COc1cc-2c(C[C@H]3COC(=O)[C@@H]3Cc4c(OC)c(OC)c(OC)cc42)c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F20 compound treatment -0.212 0.133 0.13 -0.058 0.3 0.28 0.009 0.26208243902439 0.328582629791027 0.4263 0.9474 3614931 ACon1_001396 CC(=O)N1CCC(CCC(=O)c2ccnc3ccccc23)C(C1)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F21 compound treatment -0.856 -0.511 -0.51 -0.199 0.159 0.15 -0.204 0.04908243902439 0.0615365033659921 -0.1729 -0.3249 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F22 compound treatment 0.188 0.533 0.53 -0.374 -0.0164 -0.02 -0.104 0.14908243902439 0.186910271640656 0.4051 0.7207 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F23 compound treatment 0.496 0.841 0.84 0.128 0.486 0.45 0.178 0.43108243902439 0.540464298175209 1.0544 0.9652 3554229 ACon1_001399 CCCc1c(C(=O)O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 F24 compound treatment -0.284 0.0611 0.06 -0.393 -0.0354 -0.03 -0.228 0.02508243902439 0.0314467989800726 0.0343 0.4522 3614940 ACon1_001400 CN1CCc2cc3OCOc3cc2C4OC(O)c5c6OCOc6ccc5C41 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G01 compound treatment 0.518 0.863 0.86 -0.204 0.154 0.14 0.195 0.44808243902439 0.561777838781902 0.9018 0.871 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G02 compound treatment -0.281 0.0641 0.06 -0.094 0.264 0.24 0.048 0.30108243902439 0.377478399418146 0.3956 0.8714 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G03 mock treatment 0.059 0.404 0.4 0.374 0.732 0.68 0.151 0.40408243902439 0.50661338074105 0.9155 0.9777 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G04 mock treatment 0.054 0.399 0.4 -0.207 0.151 0.14 -0.128 0.12508243902439 0.156820567254737 0.4001 0.8915 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G05 compound treatment -0.319 0.0261 0.03 -0.819 -0.461 -0.43 -0.643 -0.38991756097561 -0.488854339359784 -0.5139 -0.791 3557320 ACon1_001403 CN/1C(=O)c2ccccc2NC(=O)\C1=C/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G06 compound treatment -0.55 -0.205 -0.2 -0.093 0.265 0.25 -0.376 -0.12291756097561 -0.15410637806643 -0.0651 -0.184 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G07 compound treatment 0.121 0.466 0.46 0.204 0.562 0.52 -0.025 0.22808243902439 0.285955548577641 0.7328 0.9733 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G08 compound treatment 7.625 7.97 1.97 6.271 6.63 1.8 4.716 4.96908243902439 2.29365316512679 3.5018 0.9949 3559216 ACon1_001406 CC(=CCC/C(=C/Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G09 compound treatment -0.223 0.122 0.12 -0.392 -0.0344 -0.03 -0.383 -0.12991756097561 -0.162882541845657 -0.0424 -0.206 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G10 compound treatment -0.859 -0.514 -0.51 -0.883 -0.525 -0.49 -0.514 -0.26091756097561 -0.327122178285467 -0.7647 -0.9834 1089114 ACon1_001408 COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G11 compound treatment -0.866 -0.521 -0.52 -1.075 -0.717 -0.66 -1.181 -0.92791756097561 -1.16336521267748 -1.3542 -0.9428 3553711 ACon1_001409 CC(CCCc1ccoc1)C2CC=C(CCC=C(C)C)C(=O)O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G12 compound treatment 0.315 0.66 0.66 -0.398 -0.0404 -0.04 -0.166 0.08708243902439 0.109178535310364 0.4203 0.6308 3557253 ACon1_001410 CC(=CCC/C(=C/CC[C@]1(C)Oc2c3CNC(=O)c3cc(O)c2C[C@@H]1O)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G13 compound treatment 0.038 0.383 0.38 -0.44 -0.0824 -0.08 -0.152 0.10108243902439 0.126730862868817 0.249 0.6095 3554972 ACon1_001411 COc1cc(O)c(CCO)c2O[C@H](C)CC(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G14 compound treatment 0.297 0.642 0.64 0.532 0.89 0.82 0.323 0.57608243902439 0.722256262173473 1.2611 0.9946 3557300 ACon1_001412 CC(O)CC1CCC(O1)C(C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G15 compound treatment -0.306 0.0391 0.04 -0.322 0.0356 0.03 -0.021 0.23208243902439 0.290970499308628 0.2095 0.7091 3553811 ACon1_001413 CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G16 compound treatment -0.737 -0.392 -0.39 -0.614 -0.256 -0.24 -0.58 -0.32691756097561 -0.409868865346745 -0.5987 -0.9761 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G17 compound treatment -0.096 0.249 0.25 -0.086 0.272 0.25 -0.044 0.20908243902439 0.262134532605455 0.4395 0.9997 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G18 compound treatment -0.317 0.0281 0.03 -0.287 0.0706 0.07 -0.434 -0.18091756097561 -0.226823163665736 -0.0771 -0.3244 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G19 mock treatment 0.393 0.738 0.73 0.645 1.0 0.93 0.435 0.68808243902439 0.862674882641096 1.4577 0.9954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G20 mock treatment 1.87 2.22 1.56 2.044 2.4 1.49 0.682 0.93508243902439 1.17234809027952 2.4372 0.9929 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G21 compound treatment -1.085 -0.74 -0.74 -0.146 0.212 0.2 -0.552 -0.29891756097561 -0.37476421022984 -0.528 -0.6222 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G22 compound treatment -0.638 -0.293 -0.29 -0.422 -0.0644 -0.06 -0.063 0.19008243902439 0.238313516633269 -0.065 -0.1705 1109010 ACon1_001418 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5cc(OC)c(OC)c(OC)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G23 compound treatment -1.504 -1.16 -1.15 0.1 0.458 0.42 -0.372 -0.11891756097561 -0.149091427335444 -0.5066 -0.4097 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 G24 compound treatment -1.028 -0.683 -0.68 -0.454 -0.0964 -0.09 -0.376 -0.12291756097561 -0.15410637806643 -0.5325 -0.7586 3553937 ACon1_001420 CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H01 compound treatment -0.335 0.0101 0.01 -0.27 0.0876 0.08 0.195 0.44808243902439 0.561777838781902 0.377 0.664 3555028 ACon1_001421 COc1cc2C(O)CCC(=O)c2c(O)c1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H02 compound treatment 0.219 0.564 0.56 -0.421 -0.0634 -0.06 -0.044 0.20908243902439 0.262134532605455 0.4412 0.7096 3614951 ACon1_001422 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H03 mock treatment -0.084 0.261 0.26 0.048 0.406 0.38 0.283 0.53608243902439 0.672106754863607 0.7547 0.9289 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H04 mock treatment -0.053 0.292 0.29 0.023 0.381 0.35 -0.438 -0.18491756097561 -0.231838114396722 0.2373 0.4633 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H05 compound treatment 3.251 3.6 1.74 1.127 1.48 1.3 1.488 1.74108243902439 1.77142014496456 2.7775 0.9909 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H06 compound treatment 0.427 0.772 0.77 -0.005 0.353 0.33 0.089 0.34208243902439 0.428881644410758 0.8793 0.9375 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H07 compound treatment 0.254 0.599 0.6 0.155 0.513 0.47 -0.002 0.25108243902439 0.314791515280814 0.7996 0.9704 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H08 compound treatment -0.846 -0.501 -0.5 -0.158 0.2 0.18 -0.339 -0.08591756097561 -0.107718083804805 -0.243 -0.4483 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H09 compound treatment 0.403 0.748 0.74 -0.018 0.34 0.31 0.146 0.39908243902439 0.500344692327317 0.8998 0.9473 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H10 compound treatment -0.28 0.0651 0.06 -0.071 0.287 0.27 -0.416 -0.16291756097561 -0.204255885376296 0.0726 0.213 3614969 ACon1_001428 C[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H11 compound treatment -1.335 -0.99 -0.98 -0.345 0.0126 0.01 -0.264 -0.01091756097561 -0.0136877575988065 -0.5694 -0.5784 3614972 ACon1_001429 COc1cc(ccc1O)C2OC(c3ccc(O)c(OC)c3)C(C)(O)C2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H12 compound treatment -1.307 -0.962 -0.96 -0.72 -0.362 -0.34 -0.606 -0.35291756097561 -0.442466045098158 -1.0013 -0.9055 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H13 compound treatment 0.478 0.823 0.82 -0.274 0.0836 0.08 -0.379 -0.12591756097561 -0.15786759111467 0.426 0.509 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H14 compound treatment -0.368 -0.0229 -0.02 -0.01 0.348 0.32 -0.361 -0.10791756097561 -0.135300312825231 0.0946 0.2702 3614977 ACon1_001432 COc1cc2N3C4C5C(CC3=O)OCC=C6CN(C)CCC4(C(=O)CC56)c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H15 compound treatment 1.9 2.25 1.57 0.651 1.01 0.93 0.283 0.53608243902439 0.672106754863607 1.831 0.9425 3614978 ACon1_001433 CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H16 compound treatment -0.818 -0.473 -0.47 -0.408 -0.0504 -0.05 -0.421 -0.16791756097561 -0.210524573790029 -0.4199 -0.8118 3614980 ACon1_001434 OC(C1CC2CC[N+]1([O-])CC2C=C)c3ccnc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H17 compound treatment 1.23 1.58 1.41 -0.581 -0.223 -0.21 -0.051 0.20208243902439 0.253358368826228 0.8414 0.581 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H18 compound treatment -0.687 -0.342 -0.34 -0.404 -0.0464 -0.04 -0.262 -0.00891756097561003 -0.0111802822333132 -0.2275 -0.6637 3614986 ACon1_001436 C=CC1CN(CCC1CCC(=O)c2ccnc3ccccc23)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H19 mock treatment 0.073 0.418 0.42 -0.181 0.177 0.16 0.038 0.29108243902439 0.364941022590679 0.5451 0.945 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H20 mock treatment -0.143 0.202 0.2 -0.25 0.108 0.1 -0.083 0.17008243902439 0.213238762978336 0.2966 0.9586 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H21 compound treatment -0.503 -0.158 -0.16 0.411 0.769 0.71 0.147 0.40008243902439 0.501598430010064 0.6098 0.6893 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H22 compound treatment 3.422 3.77 1.76 2.018 2.38 1.49 1.663 1.91608243902439 1.82715895408624 2.9281 0.9962 3614991 ACon1_001438 C=Cc1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H23 compound treatment -1.236 -0.891 -0.89 -0.621 -0.263 -0.24 -0.259 -0.00591756097561003 -0.00741906918507327 -0.6565 -0.7145 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 H24 compound treatment 1.293 1.64 1.43 -0.15 0.208 0.19 0.049 0.30208243902439 0.378732137100893 1.1545 0.7746 3614997 ACon1_001440 CN1Cc2cc3OCOc3cc2CCC(=O)c4cc5OCOc5cc4C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I01 compound treatment -0.165 0.18 0.18 -0.574 -0.216 -0.2 -0.413 -0.15991756097561 -0.200494672328056 -0.1281 -0.3821 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I02 compound treatment -0.628 -0.283 -0.28 -0.721 -0.363 -0.34 -0.429 -0.17591756097561 -0.220554475252002 -0.484 -0.9859 3559086 ACon1_001442 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I03 compound treatment -0.877 -0.532 -0.53 -0.978 -0.62 -0.57 -0.634 -0.38091756097561 -0.477570700215064 -0.9127 -0.9972 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I04 compound treatment -0.309 0.0361 0.04 -0.513 -0.155 -0.14 -0.714 -0.46091756097561 -0.577869714834795 -0.396 -0.6638 3559093 ACon1_001444 COc1cc(ccc1O)[C@@H]2[C@@H](CO)[C@](O)(CO)Cc3cc(OC)c(O)cc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I05 mock treatment -0.781 -0.436 -0.43 -0.264 0.0936 0.09 -1.042 -0.78891756097561 -0.989095674775694 -0.7712 -0.7119 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I06 mock treatment -0.2 0.145 0.14 -0.013 0.345 0.32 0.193 0.44608243902439 0.559270363416409 0.5904 0.8947 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I07 compound treatment -0.286 0.0591 0.06 -0.781 -0.423 -0.39 -0.533 -0.27991756097561 -0.350943194257653 -0.3951 -0.7462 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I08 compound treatment -1.147 -0.802 -0.8 -0.713 -0.355 -0.33 -0.687 -0.43391756097561 -0.544018797400636 -0.9644 -0.9457 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I09 compound treatment -0.531 -0.186 -0.18 -0.708 -0.35 -0.32 -0.252 0.00108243902438998 0.00135709459415323 -0.2933 -0.7853 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I10 compound treatment -1.364 -1.02 -1.01 -0.377 -0.0194 -0.02 -0.407 -0.15391756097561 -0.192972246231576 -0.7066 -0.6851 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I11 compound treatment -0.245 0.1 0.1 -0.419 -0.0614 -0.06 -0.346 -0.09291756097561 -0.116494247584031 -0.0426 -0.261 3553143 ACon1_001449 C[C@H]1CC[C@H]2O[C@]23C(=O)c4occ(C)c4[C@@H](OC(=O)C)[C@]13C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I12 compound treatment -0.225 0.12 0.12 -1.197 -0.839 -0.78 -0.26 -0.00691756097561003 -0.00867280686781992 -0.3848 -0.4894 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I13 compound treatment 0.557 0.902 0.9 1.061 1.42 1.28 0.449 0.70208243902439 0.88022721019955 1.7628 0.9842 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I14 compound treatment -0.491 -0.146 -0.15 -1.102 -0.744 -0.69 -0.465 -0.21191756097561 -0.265689031830882 -0.6351 -0.8436 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I15 compound treatment -0.32 0.0251 0.02 -0.465 -0.107 -0.1 -0.199 0.05408243902439 0.0678051917797253 -0.0039 -0.0315 3555441 ACon1_001453 CSCC1OC(C(O)C1O)n2cnc3c(=O)[nH]cnc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I16 compound treatment 0.029 0.374 0.37 0.018 0.376 0.35 0.137 0.39008243902439 0.489061053182597 0.6979 0.9885 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I17 compound treatment -0.723 -0.378 -0.38 -1.137 -0.779 -0.72 -0.983 -0.72991756097561 -0.915125151493642 -1.1619 -0.9489 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I18 compound treatment -0.48 -0.135 -0.13 0.157 0.515 0.48 0.227 0.48008243902439 0.601897444629795 0.5452 0.6995 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I19 compound treatment -0.184 0.161 0.16 -0.151 0.207 0.19 -0.243 0.01008243902439 0.012640733738873 0.2102 0.8415 3555032 ACon1_001457 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I20 compound treatment -0.484 -0.139 -0.14 -0.418 -0.0604 -0.06 -0.357 -0.10391756097561 -0.130285362094244 -0.1873 -0.946 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I21 mock treatment -0.993 -0.648 -0.64 -1.408 -1.05 -0.97 -0.627 -0.37391756097561 -0.468794536435838 -1.2041 -0.9577 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I22 mock treatment -0.135 0.21 0.21 -0.424 -0.0664 -0.06 -0.174 0.07908243902439 0.0991486338483913 0.1423 0.595 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I23 compound treatment 0.116 0.461 0.46 0.391 0.749 0.69 -0.103 0.15008243902439 0.188164009323403 0.7735 0.9078 3552080 ACon1_001459 C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 I24 compound treatment -0.251 0.0941 0.09 -0.09 0.268 0.25 -0.055 0.19808243902439 0.248343418095242 0.3404 0.9377 3557310 ACon1_001460 CC(O)Cc1cc2c(C)cc(O)cc2c(=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J01 compound treatment -0.161 0.184 0.18 0.0 0.358 0.33 0.789 1.04208243902439 1.30649802233341 1.0511 0.7728 3557337 ACon1_001461 C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J02 compound treatment -0.872 -0.527 -0.52 -0.963 -0.605 -0.56 -0.571 -0.31791756097561 -0.398585226202026 -0.8562 -0.9903 3553966 ACon1_001462 CC1CC(=O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J03 compound treatment -0.427 -0.0819 -0.08 -0.51 -0.152 -0.14 -0.463 -0.20991756097561 -0.263181556465388 -0.2804 -0.906 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J04 compound treatment -0.387 -0.0419 -0.04 -0.45 -0.0924 -0.09 -0.289 -0.03591756097561 -0.0450311996674725 -0.0995 -0.9447 3615013 ACon1_001464 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J05 mock treatment -0.264 0.0811 0.08 0.125 0.483 0.45 -0.184 0.06908243902439 0.0866112570209249 0.3545 0.767 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J06 mock treatment -0.392 -0.0469 -0.05 0.051 0.409 0.38 -0.324 -0.07091756097561 -0.088912018563605 0.1402 0.3581 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J07 compound treatment -0.076 0.269 0.27 -0.397 -0.0394 -0.04 -0.202 0.05108243902439 0.0640439787314853 0.1704 0.614 3615015 ACon1_001465 COC(=O)Cc1c(CCC(=O)O)oc2cc(C)cc(O)c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J08 compound treatment -0.848 -0.503 -0.5 -1.318 -0.96 -0.89 -0.999 -0.74591756097561 -0.935184954417589 -1.342 -0.9697 1057044 ACon1_001466 COc1ccc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J09 compound treatment -0.542 -0.197 -0.2 -0.575 -0.217 -0.2 -0.547 -0.29391756097561 -0.368495521816106 -0.442 -0.9541 3615018 ACon1_001467 O[C@@H]1CO[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J10 compound treatment -0.257 0.0881 0.09 -0.318 0.0396 0.04 -0.229 0.02408243902439 0.030193061297326 0.0892 0.895 3615022 ACon1_001468 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC4C3(C)C=CC(=O)OC4(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J11 compound treatment -0.769 -0.424 -0.42 -0.469 -0.111 -0.1 -0.299 -0.04591756097561 -0.0575685764949389 -0.3361 -0.7679 3615023 ACon1_001469 CC1CCC2C(C)(C)CCCC2(C)C1(O)/C=C/C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J12 compound treatment -0.248 0.0971 0.1 0.322 0.68 0.63 0.121 0.37408243902439 0.469001250258651 0.6898 0.8724 2060335 ACon1_001470 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J13 compound treatment -0.429 -0.0839 -0.08 -0.51 -0.152 -0.14 -0.67 -0.41691756097561 -0.522705256793943 -0.4314 -0.7876 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J14 compound treatment -0.173 0.172 0.17 -1.006 -0.648 -0.6 -0.459 -0.20591756097561 -0.258166605734402 -0.3969 -0.5875 3615031 ACon1_001472 C1Oc2cc3CCNC4Cc5ccccc5-c(c2O1)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J15 compound treatment 4.437 4.78 1.84 5.867 6.22 1.78 2.787 3.04008243902439 2.07424038147783 3.2865 0.9978 3557473 ACon1_001473 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J16 compound treatment -0.182 0.163 0.16 -0.402 -0.0444 -0.04 -0.248 0.00508243902438998 0.0063720453251398 0.0735 0.4394 1093674 ACon1_001474 COc1ccc(Cc2nccc3cc(O)c(OC)cc23)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J17 compound treatment -0.015 0.33 0.33 -1.063 -0.705 -0.65 -0.857 -0.60391756097561 -0.757154203467565 -0.6248 -0.5937 3615035 ACon1_001475 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J18 compound treatment 1.272 1.62 1.42 -0.277 0.0806 0.07 -1.2 -0.94691756097561 -1.18718622864966 0.1791 0.0966 1014127 ACon1_001476 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J19 compound treatment -0.479 -0.134 -0.13 -0.223 0.135 0.12 -0.274 -0.02091756097561 -0.0262251344262729 -0.0201 -0.1088 3615039 ACon1_001477 COC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J20 compound treatment -0.299 0.0461 0.05 -0.21 0.148 0.14 -0.316 -0.06291756097561 -0.0788821171016319 0.0598 0.364 3615041 ACon1_001478 CCC1C2C34CC[N+]2([O-])CCC1C(=C4Nc5c3cccc5OC)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J21 mock treatment -0.274 0.0711 0.07 -0.424 -0.0664 -0.06 -0.026 0.22708243902439 0.284701810894894 0.1697 0.5661 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J22 mock treatment -0.315 0.0301 0.03 -0.383 -0.0254 -0.02 -0.045 0.20808243902439 0.260880794922708 0.1543 0.5853 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J23 compound treatment -0.184 0.161 0.16 0.069 0.427 0.4 -0.011 0.24208243902439 0.303507876136094 0.4957 0.9474 3615043 ACon1_001479 CCCC(O)c1c(O)cccc1C/2(O)CC(=O)C\C2=C/C(O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 J24 compound treatment -0.462 -0.117 -0.12 -0.415 -0.0574 -0.05 -0.235 0.01808243902439 0.0226706352008462 -0.0847 -0.6525 3615046 ACon1_001480 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K01 compound treatment 0.163 0.508 0.51 -0.444 -0.0864 -0.08 0.038 0.29108243902439 0.364941022590679 0.4561 0.726 3559758 ACon1_001481 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K02 compound treatment 0.424 0.769 0.76 0.355 0.713 0.66 0.613 0.86608243902439 1.08584019017 1.4493 0.9773 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K03 compound treatment -0.464 -0.119 -0.12 -0.326 0.0316 0.03 -0.141 0.11208243902439 0.140521977379031 0.0298 0.16 3559128 ACon1_001483 C[N+](C)(C)C(Cc1ccccc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K04 compound treatment -0.287 0.0581 0.06 -0.556 -0.198 -0.18 -0.216 0.03708243902439 0.0464916511730324 -0.0459 -0.2317 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K05 compound treatment 1.64 1.99 1.51 0.963 1.32 1.22 0.534 0.78708243902439 0.986794913233014 2.1495 0.9853 3559003 ACon1_001485 COc1ccc(CC2C(Cc3ccc4OCOc4c3)COC2=O)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K06 compound treatment 0.978 1.32 1.32 2.641 3.0 1.57 2.001 2.25408243902439 1.91839402619739 2.7726 0.9883 3553192 ACon1_001486 CC(=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K07 mock treatment 0.011 0.356 0.35 0.391 0.749 0.69 -0.194 0.05908243902439 0.0740738801934585 0.6473 0.828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K08 mock treatment 0.117 0.462 0.46 -0.539 -0.181 -0.17 -0.13 0.12308243902439 0.154313091889244 0.2573 0.5018 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K09 compound treatment -0.596 -0.251 -0.25 -0.537 -0.179 -0.17 -0.345 -0.09191756097561 -0.115240509901284 -0.3065 -0.9544 3554961 ACon1_001487 COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K10 compound treatment -0.774 -0.429 -0.43 -0.653 -0.295 -0.27 -0.489 -0.23591756097561 -0.295778736216801 -0.5749 -0.98 3558843 ACon1_001488 COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K11 compound treatment -0.119 0.226 0.22 -0.008 0.35 0.32 -0.302 -0.04891756097561 -0.0613297895431789 0.2812 0.7052 1254 ACon1_001489 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K12 compound treatment -0.042 0.303 0.3 -0.307 0.0506 0.05 -0.313 -0.05991756097561 -0.0751209040533919 0.1576 0.502 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K13 compound treatment 0.471 0.816 0.81 -0.268 0.0896 0.08 -0.79 -0.53691756097561 -0.67315377872354 0.1277 0.1207 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K14 compound treatment -0.47 -0.125 -0.12 -0.176 0.182 0.17 -0.388 -0.13491756097561 -0.16915123025939 -0.0723 -0.2688 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K15 mock treatment -0.073 0.272 0.27 -0.409 -0.0514 -0.05 -0.247 0.00608243902438999 0.00762578300788645 0.1331 0.4844 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K16 mock treatment 0.126 0.471 0.47 -0.271 0.0866 0.08 -0.196 0.05708243902439 0.0715664048279652 0.358 0.7451 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K17 compound treatment 0.038 0.383 0.38 0.006 0.364 0.34 0.134 0.38708243902439 0.485299840134357 0.6944 0.9881 3552826 ACon1_001493 C[C@]1(CO)CCC[C@@]2(C)C1[C@H](O)CC3=C2COC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K18 compound treatment -0.488 -0.143 -0.14 -0.074 0.284 0.26 0.0 0.25308243902439 0.317298990646307 0.2528 0.5801 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K19 compound treatment -0.661 -0.316 -0.31 -0.56 -0.202 -0.19 -0.333 -0.07991756097561 -0.100195657708325 -0.3474 -0.916 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K20 compound treatment -1.337 -0.992 -0.99 -0.447 -0.0894 -0.08 -0.275 -0.02191756097561 -0.0274788721090196 -0.633 -0.6394 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K21 compound treatment -0.772 -0.427 -0.42 -0.055 0.303 0.28 -0.482 -0.22891756097561 -0.287002572437574 -0.249 -0.4263 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K22 compound treatment 4.628 4.97 1.85 9.915 10.3 1.89 4.511 4.76408243902439 2.27661174130362 3.4743 0.9954 3559214 ACon1_001498 CC/C=C\C=C\1/C(CCCCCCCC(=O)O)C=CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K23 mock treatment -0.454 -0.109 -0.11 -0.201 0.157 0.15 -0.149 0.10408243902439 0.130492075917057 0.0965 0.4327 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 K24 mock treatment -0.372 -0.0269 -0.03 0.216 0.574 0.53 -0.172 0.08108243902439 0.101656109213885 0.3499 0.6462 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L01 compound treatment -0.782 -0.437 -0.43 -0.199 0.159 0.15 -0.333 -0.07991756097561 -0.100195657708325 -0.2238 -0.4769 3552939 ACon1_001499 C[C@H](O)c1nc2ccccc2c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L02 compound treatment 0.811 1.16 1.15 1.422 1.78 1.37 0.72 0.97308243902439 1.21999012222389 2.16 0.9972 3615055 ACon1_001500 CC/C=C/c1ccc(C)cc1CCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L03 compound treatment 1.788 2.13 1.54 -0.111 0.247 0.23 -0.188 0.06508243902439 0.0815963062899383 1.0704 0.6849 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L04 compound treatment -0.07 0.275 0.27 0.172 0.53 0.49 1.421 1.67408243902439 1.74819916232906 1.4503 0.7899 3615060 ACon1_001502 COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(O)c2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L05 compound treatment 0.26 0.605 0.6 0.248 0.606 0.56 0.167 0.42008243902439 0.526673183664996 0.9751 0.9985 3615064 ACon1_001503 COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L06 compound treatment -0.549 -0.204 -0.2 -0.003 0.355 0.33 -0.084 0.16908243902439 0.211985025295589 0.1949 0.4427 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L07 mock treatment -0.284 0.0611 0.06 0.016 0.374 0.35 -0.218 0.03508243902439 0.0439841758075391 0.2602 0.735 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L08 mock treatment -0.11 0.235 0.23 0.109 0.467 0.43 -0.196 0.05708243902439 0.0715664048279652 0.4257 0.8576 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L09 compound treatment 0.186 0.531 0.53 -0.312 0.0456 0.04 -0.018 0.23508243902439 0.294731712356868 0.4994 0.8239 2113350 ACon1_001505 COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L10 compound treatment -0.472 -0.127 -0.13 -0.205 0.153 0.14 -0.223 0.03008243902439 0.0377154873938059 0.0305 0.1579 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L11 compound treatment 1.01 1.36 1.34 0.022 0.38 0.35 0.019 0.27208243902439 0.341120006618493 1.174 0.8224 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L12 compound treatment -0.04 0.305 0.3 0.241 0.599 0.55 0.029 0.28208243902439 0.35365738344596 0.6993 0.9658 3557524 ACon1_001508 OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L13 compound treatment -1.336 -0.991 -0.99 -1.397 -1.04 -0.96 -1.156 -0.90291756097561 -1.13202177060881 -1.778 -0.9973 3615077 ACon1_001509 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/COC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L14 compound treatment 0.432 0.777 0.77 0.172 0.53 0.49 0.497 0.75008243902439 0.940406618971388 1.2721 0.9695 3615080 ACon1_001510 CCC(O)CC1CCCC(CC(O)c2ccccc2)N1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L15 mock treatment 0.025 0.37 0.37 1.539 1.9 1.4 0.254 0.50708243902439 0.635748362063954 1.3865 0.878 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L16 mock treatment 0.31 0.655 0.65 -0.018 0.34 0.31 -0.159 0.09408243902439 0.117954699089591 0.6257 0.8538 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L17 compound treatment 1.063 1.41 1.36 0.685 1.04 0.97 0.437 0.69008243902439 0.86518235800659 1.8414 0.9805 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L18 compound treatment 2.02 2.37 1.59 1.855 2.21 1.46 1.757 2.01008243902439 1.85450414644305 2.8287 0.9949 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L19 compound treatment 1.565 1.91 1.5 -0.037 0.321 0.3 0.019 0.27208243902439 0.341120006618493 1.2326 0.7882 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L20 compound treatment 0.792 1.14 1.13 0.044 0.402 0.37 1.052 1.30508243902439 1.59642497824652 1.7891 0.8985 1050697 ACon1_001514 CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L21 compound treatment -1.054 -0.709 -0.7 -0.701 -0.343 -0.32 -0.365 -0.11191756097561 -0.140315263556217 -0.6715 -0.8545 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L22 compound treatment -0.072 0.273 0.27 -0.056 0.302 0.28 -0.021 0.23208243902439 0.290970499308628 0.486 0.9996 3615092 ACon1_001516 COc1cc2CCN(C)C3c4c(CC3(O)c2cc1O)ccc5OCOc54 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L23 mock treatment 1.116 1.46 1.38 0.587 0.945 0.87 0.457 0.71008243902439 0.890257111661523 1.8135 0.9762 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 L24 mock treatment -0.12 0.225 0.22 -0.032 0.326 0.3 0.022 0.27508243902439 0.344881219666733 0.5024 0.9854 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M01 compound treatment -0.841 -0.496 -0.49 -1.82 -1.46 -1.35 -1.171 -0.91791756097561 -1.15082783585001 -1.7309 -0.9386 3553702 ACon1_001517 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M02 compound treatment -0.704 -0.359 -0.36 -1.261 -0.903 -0.84 -0.569 -0.31591756097561 -0.396077750836532 -0.9176 -0.9251 3559098 ACon1_001518 COc1c(O)cc(cc1O)[C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M03 compound treatment -0.728 -0.383 -0.38 -1.029 -0.671 -0.62 -0.568 -0.31491756097561 -0.394824013153786 -0.8067 -0.973 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M04 compound treatment -0.423 -0.0779 -0.08 -0.869 -0.511 -0.47 -0.81 -0.55691756097561 -0.698228532378473 -0.7212 -0.8513 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M05 compound treatment -0.207 0.138 0.14 -0.465 -0.107 -0.1 -0.5 -0.24691756097561 -0.309569850727014 -0.1569 -0.4445 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M06 compound treatment -0.117 0.228 0.23 0.113 0.471 0.44 -0.019 0.23408243902439 0.293477974674121 0.5519 0.9646 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M07 compound treatment -0.602 -0.257 -0.26 -0.308 0.0496 0.05 -0.402 -0.14891756097561 -0.186703557817843 -0.2287 -0.7155 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M08 compound treatment 0.068 0.413 0.41 -0.007 0.351 0.32 0.149 0.40208243902439 0.504105905375557 0.7156 0.9846 3557382 ACon1_001524 CC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M09 mock treatment -0.658 -0.313 -0.31 -0.49 -0.132 -0.12 -0.273 -0.01991756097561 -0.0249713967435263 -0.2648 -0.7897 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M10 mock treatment -0.047 0.298 0.3 0.011 0.369 0.34 -0.127 0.12608243902439 0.158074304937484 0.4594 0.9594 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M11 compound treatment -0.944 -0.599 -0.6 -1.379 -1.02 -0.95 -0.756 -0.50291756097561 -0.630526697510154 -1.2538 -0.9771 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M12 compound treatment 0.35 0.695 0.69 -0.293 0.0646 0.06 -0.191 0.06208243902439 0.0778350932416984 0.4784 0.6855 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M13 mock treatment 0.336 0.681 0.68 -0.462 -0.104 -0.1 -0.367 -0.11391756097561 -0.142822738921711 0.2527 0.3616 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M14 mock treatment -0.035 0.31 0.31 -0.759 -0.401 -0.37 -0.396 -0.14291756097561 -0.179181131721363 -0.1401 -0.2719 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M15 compound treatment -0.425 -0.0799 -0.08 -1.09 -0.732 -0.68 -0.629 -0.37591756097561 -0.471302011801331 -0.7095 -0.8552 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M16 compound treatment -0.09 0.255 0.25 -0.209 0.149 0.14 -0.174 0.07908243902439 0.0991486338483913 0.2831 0.928 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M17 compound treatment 0.121 0.466 0.46 -0.157 0.201 0.19 -0.468 -0.21491756097561 -0.269450244879122 0.2192 0.3864 3554709 ACon1_001529 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M18 compound treatment 0.034 0.379 0.38 0.162 0.52 0.48 0.317 0.57008243902439 0.714733836076993 0.908 0.9656 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M19 compound treatment 0.135 0.48 0.48 -0.394 -0.0364 -0.03 -0.361 -0.10791756097561 -0.135300312825231 0.178 0.358 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M20 compound treatment -0.769 -0.424 -0.42 -0.274 0.0836 0.08 -0.242 0.01108243902439 0.0138944714216197 -0.1906 -0.4446 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M21 compound treatment -0.713 -0.368 -0.37 -0.86 -0.502 -0.47 -0.331 -0.07791756097561 -0.0976881823428315 -0.5362 -0.8939 3553253 ACon1_001533 CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M22 compound treatment -0.806 -0.461 -0.46 -0.807 -0.449 -0.42 -0.237 0.01608243902439 0.0201631598353529 -0.4932 -0.7963 3559206 ACon1_001534 CC1(C)C(O)CCC2(C)C3CCC4CC3(CC4(O)CO)CCC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M23 compound treatment -0.77 -0.425 -0.42 -0.667 -0.309 -0.29 -0.201 0.05208243902439 0.065297716414232 -0.3716 -0.7221 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 M24 compound treatment -0.634 -0.289 -0.29 -0.956 -0.598 -0.55 -0.275 -0.02191756097561 -0.0274788721090196 -0.5016 -0.8029 3553939 ACon1_001536 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N01 compound treatment 0.007 0.352 0.35 0.063 0.421 0.39 -0.392 -0.13891756097561 -0.174166180990377 0.3264 0.5914 1037131 ACon1_001537 Cc1cc(C)c(O)c(c1)C(=O)CC2CC(=O)NC(=O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N02 compound treatment -0.435 -0.0899 -0.09 -0.29 0.0676 0.06 -0.059 0.19408243902439 0.243328467364255 0.125 0.4687 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N03 compound treatment 0.076 0.421 0.42 -0.303 0.0546 0.05 -0.362 -0.10891756097561 -0.136554050507977 0.192 0.4333 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N04 compound treatment -0.371 -0.0259 -0.03 -0.501 -0.143 -0.13 -0.08 0.17308243902439 0.216999976026576 0.0337 0.132 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N05 compound treatment 0.328 0.673 0.67 -0.323 0.0346 0.03 -0.193 0.06008243902439 0.0753276178762051 0.4483 0.665 3069522 ACon1_001541 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N06 compound treatment -0.188 0.157 0.16 -0.19 0.168 0.16 -0.146 0.10708243902439 0.134253288965297 0.2573 0.9977 3615112 ACon1_001542 CCCC(O)c1ccc(C)cc1CCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N07 compound treatment -0.292 0.0531 0.05 -0.412 -0.0544 -0.05 -0.316 -0.06291756097561 -0.0788821171016319 -0.0442 -0.411 3615113 ACon1_001543 Cc1cc(C(=O)Oc2c(C)cc(C(=O)O)c(O)c2C)c(O)c(C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N08 compound treatment -0.566 -0.221 -0.22 -0.181 0.177 0.16 -0.27 -0.01691756097561 -0.0212101836952864 -0.0446 -0.1625 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N09 mock treatment -0.133 0.212 0.21 -0.313 0.0446 0.04 0.352 0.60508243902439 0.758614654973125 0.5836 0.7401 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N10 mock treatment 0.124 0.469 0.47 -0.305 0.0526 0.05 -0.069 0.18408243902439 0.230791090536789 0.4306 0.824 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N11 compound treatment -0.811 -0.466 -0.46 -0.082 0.276 0.26 0.157 0.41008243902439 0.51413580683753 0.1767 0.2396 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N12 compound treatment 0.105 0.45 0.45 -0.003 0.355 0.33 0.086 0.33908243902439 0.425120431362518 0.6933 0.9918 3615120 ACon1_001546 CCCC[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N13 mock treatment 0.316 0.661 0.66 0.411 0.769 0.71 0.171 0.42408243902439 0.531688134395983 1.0973 0.993 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N14 mock treatment -0.093 0.252 0.25 -0.423 -0.0654 -0.06 0.43 0.68308243902439 0.856406194227363 0.6042 0.6755 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N15 compound treatment -0.277 0.0681 0.07 0.246 0.604 0.56 -0.236 0.01708243902439 0.0214168975180995 0.3741 0.664 3615123 ACon1_001547 COC(=O)c1cccc(O)c1C(=O)c2c(O)cc(C)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N16 compound treatment -0.636 -0.291 -0.29 -0.814 -0.456 -0.42 -0.627 -0.37391756097561 -0.468794536435838 -0.6816 -0.9818 3615126 ACon1_001548 COc1ccc(cc1Cl)C(=O)NCCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N17 compound treatment 0.633 0.978 0.97 0.443 0.801 0.74 0.629 0.88208243902439 1.10589999309395 1.6279 0.9874 3615128 ACon1_001549 COc1cc(OC)c(cc1OC)c2coc3c4C=CC(C)(C)Oc4c(OC)cc3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N18 compound treatment 0.152 0.497 0.49 -0.102 0.256 0.24 -0.16 0.09308243902439 0.116700961406844 0.4893 0.8735 2259 ACon1_001550 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N19 compound treatment 0.354 0.699 0.69 -0.092 0.266 0.25 0.068 0.32108243902439 0.402553153073079 0.7757 0.9234 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N20 compound treatment -0.646 -0.301 -0.3 -0.398 -0.0404 -0.04 -0.416 -0.16291756097561 -0.204255885376296 -0.3123 -0.8574 3615136 ACon1_001552 CC(O)c1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N21 compound treatment -0.281 0.0641 0.06 -0.349 0.00861 0.01 -0.072 0.18108243902439 0.227029877488549 0.1725 0.7309 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N22 compound treatment 8.448 8.79 2.0 5.083 5.44 1.75 1.191 1.44408243902439 1.65895359201786 3.1199 0.9969 3615141 ACon1_001554 C/C=C(/C)\C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N23 compound treatment -1.016 -0.671 -0.67 -0.464 -0.106 -0.1 -0.558 -0.30491756097561 -0.382286636326319 -0.6627 -0.855 3614951 ACon1_001555 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 N24 compound treatment -0.069 0.276 0.27 0.238 0.596 0.55 0.252 0.50508243902439 0.633240886698461 0.8425 0.9536 3615144 ACon1_001556 CO/C=C(/C1CC2N(CCC23C(=O)Nc4ccccc43)CC1C=C)\C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O01 compound treatment 3.816 4.16 1.79 2.547 2.9 1.56 1.666 1.91908243902439 1.82805791882125 2.9893 0.9976 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O02 compound treatment 2.242 2.59 1.62 1.002 1.36 1.26 0.944 1.19708243902439 1.50082736315914 2.5293 0.9947 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O03 compound treatment 0.799 1.14 1.14 2.03 2.39 1.49 0.82 1.07308243902439 1.34536389049855 2.292 0.9942 1093459 ACon1_001559 COc1cc(CC2COC(=O)C2(O)Cc3ccc(O)c(OC)c3)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O04 compound treatment -0.607 -0.262 -0.26 -0.186 0.172 0.16 -0.204 0.04908243902439 0.0615365033659921 -0.0231 -0.0741 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O05 compound treatment -0.315 0.0301 0.03 -0.543 -0.185 -0.17 -0.01 0.24308243902439 0.304761613818841 0.0941 0.2681 3558913 ACon1_001561 OC(=O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O06 compound treatment -0.397 -0.0519 -0.05 0.303 0.661 0.61 1.322 1.57508243902439 1.71171701870629 1.3116 0.7213 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O07 compound treatment -0.064 0.281 0.28 -0.488 -0.13 -0.12 -0.392 -0.13891756097561 -0.174166180990377 -0.0089 -0.0255 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O08 compound treatment 0.028 0.373 0.37 0.39 0.748 0.69 0.166 0.41908243902439 0.52541944598225 0.9172 0.9706 3559212 ACon1_001564 CC(C)C(C)(O)C(=O)OCC1=CCN2CCC(O)C21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O09 compound treatment -0.664 -0.319 -0.32 -0.344 0.0136 0.01 -0.367 -0.11391756097561 -0.142822738921711 -0.2582 -0.7421 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O10 compound treatment 0.189 0.534 0.53 1.05 1.41 1.27 0.322 0.57508243902439 0.721002524490726 1.4577 0.9367 3557334 ACon1_001566 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)/C(=C/c5cnc[nH]5)/NC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O11 mock treatment -0.546 -0.201 -0.2 -0.193 0.165 0.15 -0.155 0.09808243902439 0.122969649820578 0.0437 0.1561 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O12 mock treatment -0.369 -0.0239 -0.02 -0.093 0.265 0.25 -0.339 -0.08591756097561 -0.107718083804805 0.0655 0.2439 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O13 compound treatment 0.068 0.413 0.41 -0.119 0.239 0.22 0.039 0.29208243902439 0.366194760273426 0.5761 0.9716 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O14 compound treatment -0.362 -0.0169 -0.02 -0.41 -0.0524 -0.05 -0.309 -0.05591756097561 -0.0701059533224054 -0.0782 -0.8999 3180421 ACon1_001568 COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O15 compound treatment 0.355 0.7 0.7 0.798 1.16 1.07 0.811 1.06408243902439 1.33408025135383 1.7898 0.9694 3557322 ACon1_001569 CC/C=C/C=C/1\CO[C@@]2(CC[C@@H](CO)O2)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O16 compound treatment -0.168 0.177 0.18 -0.246 0.112 0.1 -0.451 -0.19791756097561 -0.248136704272429 0.018 0.0561 3557362 ACon1_001570 CC(=O)c1nc2ccccc2c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O17 compound treatment 0.095 0.44 0.44 -0.083 0.275 0.25 0.062 0.31508243902439 0.395030726976599 0.6275 0.9774 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O18 compound treatment 0.704 1.05 1.04 1.931 2.29 1.47 1.268 1.52108243902439 1.69062635659629 2.4276 0.9821 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O19 compound treatment -0.783 -0.438 -0.44 -0.461 -0.103 -0.1 -0.387 -0.13391756097561 -0.167897492576643 -0.4036 -0.8472 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O20 compound treatment -0.354 -0.00893 -0.01 -0.66 -0.302 -0.28 -0.534 -0.28091756097561 -0.3521969319404 -0.3701 -0.8225 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O21 compound treatment -0.647 -0.302 -0.3 0.267 0.625 0.58 -0.149 0.10408243902439 0.130492075917057 0.2359 0.3551 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O22 compound treatment -0.626 -0.281 -0.28 -0.333 0.0246 0.02 -0.471 -0.21791756097561 -0.273211457927361 -0.3058 -0.7814 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O23 compound treatment -1.343 -0.998 -0.99 -0.48 -0.122 -0.11 -0.396 -0.14291756097561 -0.179181131721363 -0.7417 -0.7311 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 O24 compound treatment -0.908 -0.563 -0.56 -0.58 -0.222 -0.21 -0.228 0.02508243902439 0.0314467989800726 -0.4238 -0.7098 3557395 ACon1_001578 CC1(CO)CC(O)CC2(C)C1CCC3=C2COC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P01 compound treatment -0.807 -0.462 -0.46 -0.323 0.0346 0.03 -0.261 -0.00791756097561003 -0.00992654455056656 -0.2524 -0.5481 1000475 ACon1_001579 O=c1ccc2cc3ccoc3cc2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P02 compound treatment -0.375 -0.0299 -0.03 -0.07 0.288 0.27 -0.263 -0.00991756097561003 -0.0124340199160598 0.1294 0.4824 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P03 compound treatment 0.112 0.457 0.45 0.311 0.669 0.62 -0.464 -0.21091756097561 -0.264435294148135 0.4671 0.5751 3553075 ACon1_001581 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P04 compound treatment -0.426 -0.0809 -0.08 -0.534 -0.176 -0.16 -0.438 -0.18491756097561 -0.231838114396722 -0.2746 -0.9315 3615165 ACon1_001582 Cc1cc(O)c(C)c2Oc3c(C)c(O)c(O)c(C)c3OC(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P05 compound treatment -0.749 -0.404 -0.4 -0.692 -0.334 -0.31 -0.472 -0.21891756097561 -0.274465195610108 -0.5691 -0.987 3615168 ACon1_001583 Oc1cccc2C(=O)Nc3ccccc3-c4nc5ccccc5c(=O)n4-c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P06 compound treatment -0.288 0.0571 0.06 -0.294 0.0636 0.06 -0.208 0.04508243902439 0.0565215526350055 0.0994 0.9998 3615170 ACon1_001584 CC1CC(OC=O)C2C(C)C(CCC2(C)C31CCC4(COC(=O)C4)O3)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P07 compound treatment 1.35 1.7 1.44 -0.117 0.241 0.22 0.35 0.60308243902439 0.756107179607632 1.3989 0.8503 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P08 compound treatment -1.05 -0.705 -0.7 -0.137 0.221 0.2 -0.343 -0.08991756097561 -0.112733034535791 -0.3518 -0.4762 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P09 compound treatment -0.948 -0.603 -0.6 -0.727 -0.369 -0.34 -0.573 -0.31991756097561 -0.401092701567519 -0.7751 -0.9711 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P10 compound treatment 0.188 0.533 0.53 -0.06 0.298 0.28 0.091 0.34408243902439 0.431389119776252 0.7141 0.9692 3615183 ACon1_001588 CC(=O)[C@@]12C[C@@H](CC[C@@]2(C)CC[C@@H]1O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P11 mock treatment 0.003 0.348 0.35 -0.018 0.34 0.31 -0.348 -0.09491756097561 -0.119001722949524 0.3126 0.648 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P12 mock treatment -0.254 0.0911 0.09 -0.108 0.25 0.23 0.072 0.32508243902439 0.407568103804065 0.421 0.8823 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P13 compound treatment 7.171 7.52 1.96 1.445 1.8 1.38 0.335 0.58808243902439 0.737301114366432 2.352 0.9386 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P14 compound treatment -0.35 -0.00493 0.0 -0.013 0.345 0.32 -0.658 -0.40491756097561 -0.507660404600984 -0.1117 -0.1863 3615189 ACon1_001590 COc1cc(nc(/C=N/O)c1S(=O)C)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P15 compound treatment 0.278 0.623 0.62 0.48 0.838 0.78 -0.143 0.11008243902439 0.138014502013537 0.8851 0.8832 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P16 compound treatment 2.64 2.99 1.68 0.473 0.831 0.77 0.42 0.67308243902439 0.843868817399897 1.8994 0.9363 3615194 ACon1_001592 CC(C)(C=C)C12CC3N(C2Nc4ccccc41)C(=O)C(Cc5c[nH]cn5)NC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P17 compound treatment 0.317 0.662 0.66 -0.458 -0.1 -0.09 -0.877 -0.62391756097561 -0.782228957122498 -0.1253 -0.122 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P18 compound treatment 0.113 0.458 0.46 -0.368 -0.0104 -0.01 0.37 0.62308243902439 0.781181933262565 0.7084 0.7834 3615196 ACon1_001594 COC(=O)C1(CO)C/2CCN(C\C2=C/C)Cc3c1[nH]c4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P19 compound treatment 0.071 0.416 0.41 -0.25 0.108 0.1 0.446 0.69908243902439 0.876465997151309 0.8024 0.8236 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P20 compound treatment -0.484 -0.139 -0.14 -0.374 -0.0164 -0.02 -0.162 0.09108243902439 0.114193486041351 -0.0226 -0.1255 2096349 ACon1_001596 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3=O)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P21 compound treatment -0.344 0.00107 0.0 -0.772 -0.414 -0.38 -0.36 -0.10691756097561 -0.134046575142484 -0.2983 -0.734 1054272 ACon1_001597 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P22 compound treatment 0.228 0.573 0.57 -0.054 0.304 0.28 -0.124 0.12908243902439 0.161835517985723 0.5847 0.8918 1874510 ACon1_001598 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC61CCC(C)CN6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P23 compound treatment -0.605 -0.26 -0.26 -0.166 0.192 0.18 -0.464 -0.21091756097561 -0.264435294148135 -0.1994 -0.4863 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2294 P24 compound treatment -1.063 -0.718 -0.71 -0.163 0.195 0.18 -0.281 -0.02791756097561 -0.0350012982054994 -0.3283 -0.4454 1707947 ACon1_001600 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A01 compound treatment 0.643 0.988 0.98 2.246 2.6 1.52 1.158 1.41108243902439 1.64476260428495 2.3937 0.9791 3615211 ACon1_001601 COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A02 compound treatment -0.876 -0.531 -0.53 -1.284 -0.926 -0.86 -0.516 -0.26291756097561 -0.32962965365096 -0.9903 -0.9345 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A03 compound treatment 0.284 0.629 0.63 -0.215 0.143 0.13 -0.184 0.06908243902439 0.0866112570209249 0.4873 0.7555 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A04 compound treatment -0.427 -0.0819 -0.08 -0.668 -0.31 -0.29 -0.733 -0.47991756097561 -0.601690730806982 -0.5603 -0.8341 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A05 compound treatment -0.363 -0.0179 -0.02 -0.877 -0.519 -0.48 -0.734 -0.48091756097561 -0.602944468489728 -0.6361 -0.8245 3557487 ACon1_001605 CC1(O)CC2(CC1CCC23)CC(=O)C4C(CO)(CCCC34C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A06 compound treatment -0.525 -0.18 -0.18 -0.095 0.263 0.24 -0.508 -0.25491756097561 -0.319599752188987 -0.1474 -0.3353 3615219 ACon1_001606 CCCCCC(=O)CC(O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A07 compound treatment -0.769 -0.424 -0.42 -0.195 0.163 0.15 -0.105 0.14808243902439 0.18565653395791 -0.0492 -0.1016 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A08 compound treatment -0.684 -0.339 -0.34 -0.097 0.261 0.24 -0.289 -0.03591756097561 -0.0450311996674725 -0.0812 -0.1948 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A09 compound treatment -0.739 -0.394 -0.39 -1.204 -0.846 -0.78 -0.377 -0.12391756097561 -0.155360115749177 -0.7683 -0.8634 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A10 compound treatment -0.806 -0.461 -0.46 -0.895 -0.537 -0.5 -0.323 -0.06991756097561 -0.0876582808808584 -0.6025 -0.8832 3615227 ACon1_001610 C[C@@]12CCC[C@@]3(C)C2[C@@H](C[C@@]4(CO4)[C@]3(O)CCc5ccoc5)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A11 compound treatment -0.548 -0.203 -0.2 -0.703 -0.345 -0.32 -0.255 -0.00191756097561002 -0.0024041184540867 -0.3025 -0.8 1088391 ACon1_001611 CC1=CC(=O)c2c(O)cccc2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A12 compound treatment -0.096 0.249 0.25 -0.101 0.257 0.24 -0.104 0.14908243902439 0.186910271640656 0.3881 0.993 3615231 ACon1_001612 COC(/C=C/C(OC(=O)C)C(C)OC(=O)C)C(O)C1CC=CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A13 mock treatment 0.458 0.803 0.8 0.422 0.78 0.72 0.406 0.65908243902439 0.826316489841444 1.3548 0.9984 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A14 mock treatment -0.279 0.0661 0.07 -0.255 0.103 0.1 0.313 0.56608243902439 0.709718885346006 0.5025 0.6989 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A15 compound treatment -1.009 -0.664 -0.66 -0.757 -0.399 -0.37 -0.396 -0.14291756097561 -0.179181131721363 -0.698 -0.8978 3615235 ACon1_001613 OC1Cc2c(O)c3C(C(O)C(Oc3cc2OC1c4ccc(O)c(O)c4)c5ccc(O)c(O)c5)c6ccc(O)cc6O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A16 compound treatment 0.231 0.576 0.57 -0.021 0.337 0.31 -0.351 -0.09791756097561 -0.122762935997764 0.4397 0.6628 3615238 ACon1_001614 CC(C)/C=C/C=C(\C)/CC/C=C(\C)/CCOc1c(O)cc2C(=O)NCc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A17 compound treatment 0.608 0.953 0.95 1.093 1.45 1.29 1.591 1.84408243902439 1.80503333195672 2.3316 0.9674 3615241 ACon1_001615 C[C@@H]1O[C@@H](OC(=O)c2c(C)coc2C)[C@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A18 compound treatment 5.283 5.63 1.88 4.368 4.73 1.71 4.491 4.74408243902439 2.2748922974493 3.3878 0.9928 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A19 compound treatment -0.485 -0.14 -0.14 -0.324 0.0336 0.03 -0.456 -0.20291756097561 -0.254405392686162 -0.2092 -0.7175 3615250 ACon1_001617 OC1CCC(=O)c2c(O)cccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A20 compound treatment -0.902 -0.557 -0.55 -0.466 -0.108 -0.1 -0.501 -0.24791756097561 -0.310823588409761 -0.5571 -0.8666 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A21 compound treatment 1.959 2.3 1.58 3.126 3.48 1.62 2.116 2.36908243902439 1.94544385865629 2.9673 0.9954 3615252 ACon1_001619 OC(=O)CCCCCCC/C=C\CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A22 compound treatment 0.223 0.568 0.56 0.266 0.624 0.58 0.046 0.29908243902439 0.374970924052653 0.8759 0.9836 1018507 ACon1_001620 Oc1ccc(C=O)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A23 compound treatment 1.744 2.09 1.54 3.439 3.8 1.65 1.138 1.39108243902439 1.63597143884311 2.7808 0.9995 3615257 ACon1_001621 CC(=O)OC(CCCCc1ccc(O)c(O)c1)CCc2ccc(O)c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 A24 compound treatment -0.301 0.0441 0.04 -0.097 0.261 0.24 -0.385 -0.13191756097561 -0.16539001721115 0.0691 0.2337 3559182 ACon1_001622 COc1cc(cc(OC)c1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B01 compound treatment -0.562 -0.217 -0.22 -0.727 -0.369 -0.34 -0.724 -0.47091756097561 -0.590407091662262 -0.6629 -0.9263 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B02 compound treatment 2.088 2.43 1.6 2.008 2.37 1.48 1.071 1.32408243902439 1.60541534004192 2.7061 0.9994 3615262 ACon1_001624 OCCCCCCCC=C(C(=O)O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B03 compound treatment 0.558 0.903 0.9 1.082 1.44 1.28 0.32 0.57308243902439 0.718495049125233 1.6737 0.9716 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B04 compound treatment -0.288 0.0571 0.06 -0.306 0.0516 0.05 0.08 0.33308243902439 0.417598005266038 0.3014 0.7107 3615266 ACon1_001626 CN1C(=O)c2ccccc2-n3c(nc4ccccc4c3=O)[C@]51O[C@H]5c6ccccc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B05 compound treatment 0.309 0.654 0.65 -0.828 -0.47 -0.44 -0.189 0.06408243902439 0.0803425686071917 0.1703 0.2165 3615270 ACon1_001627 COc1c(Cc2ccccc2O)c(O)c(Cc3ccccc3O)c(O)c1C(=O)CCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B06 compound treatment 0.197 0.542 0.54 -0.067 0.291 0.27 0.245 0.49808243902439 0.624464722919234 0.827 0.9532 3615272 ACon1_001628 CCC(C)CC(C)/C=C\C1OC2=C(C(O)C1O)C(=O)OC2(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B07 compound treatment 4.06 4.41 1.81 3.599 3.96 1.66 1.551 1.80408243902439 1.79226522872313 3.0371 0.9993 3615275 ACon1_001629 CC(=CCCC(C)(O)C(O)Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B08 compound treatment -0.113 0.232 0.23 -0.425 -0.0674 -0.06 -0.557 -0.30391756097561 -0.381032898643573 -0.1228 -0.273 3054974 ACon1_001630 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B09 compound treatment 1.11 1.46 1.37 0.032 0.39 0.36 0.058 0.31108243902439 0.390015776245612 1.2268 0.8327 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B10 compound treatment -0.565 -0.22 -0.22 -0.619 -0.261 -0.24 -0.43 -0.17691756097561 -0.221808212934749 -0.394 -0.999 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B11 compound treatment -0.339 0.00607 0.01 -0.67 -0.312 -0.29 -0.465 -0.21191756097561 -0.265689031830882 -0.3169 -0.8068 3559060 ACon1_001633 COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@]3(O)c2cc1OC)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B12 compound treatment 0.57 0.915 0.91 0.199 0.557 0.52 0.008 0.26108243902439 0.32732889210828 1.0118 0.9235 3076873 ACon1_001634 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B13 mock treatment -0.197 0.148 0.15 -0.254 0.104 0.1 0.04 0.29308243902439 0.367448497956173 0.3525 0.8655 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B14 mock treatment 0.404 0.749 0.74 0.232 0.59 0.55 -0.185 0.06808243902439 0.0853575193381783 0.7944 0.8567 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B15 compound treatment 0.365 0.71 0.71 0.7 1.06 0.98 0.373 0.62608243902439 0.784943146310805 1.4261 0.9904 3615283 ACon1_001635 COc1cc(oc(=O)c1C)C(C)C=C(C)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B16 compound treatment 0.464 0.809 0.8 1.559 1.92 1.4 1.039 1.29208243902439 1.59018705284124 2.192 0.9667 3615285 ACon1_001636 OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B17 compound treatment -0.392 -0.0469 -0.05 -0.41 -0.0524 -0.05 -0.213 0.04008243902439 0.0502528642212723 -0.0259 -0.3087 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B18 compound treatment 0.392 0.737 0.73 -0.09 0.268 0.25 -0.349 -0.09591756097561 -0.120255460632271 0.4967 0.6345 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B19 compound treatment 1.458 1.8 1.47 0.705 1.06 0.98 0.573 0.82608243902439 1.03569068286013 2.0157 0.9828 3615295 ACon1_001639 COc1cc2c(cc1O)C(=O)CC3C(C)(C)C(=O)CCC32C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B20 compound treatment 0.26 0.605 0.6 -0.207 0.151 0.14 0.043 0.29608243902439 0.371209711004413 0.6421 0.8913 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B21 compound treatment -0.541 -0.196 -0.19 -0.872 -0.514 -0.48 -0.437 -0.18391756097561 -0.230584376713976 -0.5206 -0.9232 3615299 ACon1_001641 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)cc(O)c2C)C1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B22 compound treatment -0.512 -0.167 -0.17 -0.479 -0.121 -0.11 -0.286 -0.03291756097561 -0.0412699866192326 -0.1845 -0.9017 3615301 ACon1_001642 COc1cc(/C=C/COC2OC(CO)C(O)C(O)C2O)cc3C(CO)C(Oc31)c4ccc(OC)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B23 compound treatment -0.89 -0.545 -0.54 -1.173 -0.815 -0.76 -0.667 -0.41391756097561 -0.518944043745703 -1.0483 -0.9849 3615306 ACon1_001643 COc1cc2oc(cc(=O)c2c(OC)c1OC)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 B24 compound treatment -0.182 0.163 0.16 -0.202 0.156 0.14 -0.174 0.07908243902439 0.0991486338483913 0.234 0.9813 3558267 ACon1_001644 C[C@@]12CC[C@@H](O)C(=C)C2C[C@@H](CC1)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C01 compound treatment 1.106 1.45 1.37 0.657 1.01 0.94 -0.273 -0.01991756097561 -0.0249713967435263 1.3206 0.7938 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C02 compound treatment 0.221 0.566 0.56 0.663 1.02 0.95 0.164 0.41708243902439 0.522911970616756 1.1724 0.9627 3615312 ACon1_001646 OCC1OC(OCC2OC(OC(CCc3ccccc3)CC(=O)CCc4ccccc4)C(O)C(O)C2O)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C03 compound treatment -0.571 -0.226 -0.22 -0.194 0.164 0.15 -0.178 0.07508243902439 0.0941336831174048 0.0121 0.0423 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C04 compound treatment -0.462 -0.117 -0.12 0.019 0.377 0.35 -0.127 0.12608243902439 0.158074304937484 0.2255 0.5635 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C05 compound treatment -0.183 0.162 0.16 -0.586 -0.228 -0.21 -0.215 0.03808243902439 0.047745388855779 -0.0015 -0.0056 3553387 ACon1_001649 CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C06 compound treatment -0.325 0.0201 0.02 -0.657 -0.299 -0.28 -0.384 -0.13091756097561 -0.164136279528404 -0.2433 -0.7538 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C07 compound treatment -0.227 0.118 0.12 -0.726 -0.368 -0.34 -0.628 -0.37491756097561 -0.470048274118584 -0.4006 -0.676 3558295 ACon1_001651 CC(C)c1cc2CCC3C(C)(C)C[C@H](O)C[C@]3(C)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C08 compound treatment -0.43 -0.0849 -0.08 -0.736 -0.378 -0.35 -0.423 -0.16991756097561 -0.213032049155523 -0.374 -0.8934 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C09 compound treatment -0.858 -0.513 -0.51 -0.411 -0.0534 -0.05 -0.356 -0.10291756097561 -0.129031624411498 -0.3975 -0.7523 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C10 compound treatment 0.653 0.998 0.99 0.276 0.634 0.59 -0.134 0.11908243902439 0.149298141158257 0.9978 0.8584 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C11 mock treatment -0.687 -0.342 -0.34 -0.238 0.12 0.11 -0.104 0.14908243902439 0.186910271640656 -0.0244 -0.0605 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C12 mock treatment -0.104 0.241 0.24 -0.191 0.167 0.15 -0.204 0.04908243902439 0.0615365033659921 0.263 0.9018 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C13 compound treatment 0.464 0.809 0.8 0.106 0.464 0.43 -0.755 -0.50191756097561 -0.629272959827408 0.3489 0.315 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C14 compound treatment 0.599 0.944 0.94 0.192 0.55 0.51 -0.213 0.04008243902439 0.0502528642212723 0.8647 0.809 3615331 ACon1_001656 CCCCCCCCC/C=C/CCCCC(=O)C1C(=O)CCC(O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C15 mock treatment -0.072 0.273 0.27 0.087 0.445 0.41 -0.06 0.19308243902439 0.242074729681509 0.5342 0.9724 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C16 mock treatment -0.38 -0.0349 -0.03 -0.296 0.0616 0.06 -0.219 0.03408243902439 0.0427304381247924 0.0376 0.4737 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C17 compound treatment -0.421 -0.0759 -0.08 -0.503 -0.145 -0.13 -0.414 -0.16091756097561 -0.201748410010803 -0.2378 -0.9361 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C18 compound treatment 0.98 1.33 1.32 0.266 0.624 0.58 0.652 0.90508243902439 1.13473595979712 1.7491 0.9547 3615339 ACon1_001658 CC(C)/C=C/C=C(\C)/CCC\C(=C\COc1c(O)cc2C(=O)NCc2c1O)\C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C19 compound treatment 0.461 0.806 0.8 1.809 2.17 1.45 0.642 0.89508243902439 1.12219858296965 1.9479 0.9734 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C20 compound treatment -0.708 -0.363 -0.36 -0.314 0.0436 0.04 -0.248 0.00508243902438998 0.0063720453251398 -0.1813 -0.4993 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C21 compound treatment -0.475 -0.13 -0.13 -0.311 0.0466 0.04 0.048 0.30108243902439 0.377478399418146 0.1683 0.4193 3558893 ACon1_001661 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C22 compound treatment -1.11 -0.765 -0.76 -0.224 0.134 0.12 -0.144 0.10908243902439 0.136760764330791 -0.2887 -0.3689 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C23 compound treatment -1.039 -0.694 -0.69 -0.457 -0.0994 -0.09 -0.283 -0.02991756097561 -0.0375087735709926 -0.4731 -0.6788 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 C24 compound treatment -0.413 -0.0679 -0.07 -0.219 0.139 0.13 -0.085 0.16808243902439 0.210731287612842 0.1568 0.6128 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D01 compound treatment 1.368 1.71 1.45 0.073 0.431 0.4 -0.603 -0.34991756097561 -0.438704832049918 0.8134 0.5196 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D02 compound treatment -0.092 0.253 0.25 -0.435 -0.0774 -0.07 -0.585 -0.33191756097561 -0.416137553760479 -0.1364 -0.2774 3615355 ACon1_001666 O[C@@H]1CC(=O)c2cccc(O)c2[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D03 compound treatment 2.492 2.84 1.66 1.984 2.34 1.48 1.605 1.85808243902439 1.80942013869096 2.8562 0.9967 3615359 ACon1_001667 OCCCCC/C=C\C/C=C\C(O)CC1CCC(CC(=O)O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D04 compound treatment 0.751 1.1 1.09 0.396 0.754 0.7 0.657 0.91008243902439 1.14100464821085 1.6908 0.9801 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D05 compound treatment -0.603 -0.258 -0.26 -0.281 0.0766 0.07 -0.374 -0.12091756097561 -0.151598902700937 -0.1946 -0.6356 3615365 ACon1_001669 Cc1cc(O)c2c(=O)c3c(cc(O)cc3oc2c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D06 compound treatment 0.774 1.12 1.11 0.796 1.15 1.07 0.438 0.69108243902439 0.866436095689336 1.7593 0.9945 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D07 compound treatment -0.689 -0.344 -0.34 -0.459 -0.101 -0.09 -0.362 -0.10891756097561 -0.136554050507977 -0.3305 -0.8697 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D08 compound treatment 0.768 1.11 1.11 -0.167 0.191 0.18 0.316 0.56908243902439 0.713480098394246 1.1527 0.8677 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D09 compound treatment 0.213 0.558 0.55 0.214 0.572 0.53 0.165 0.41808243902439 0.524165708299503 0.9285 0.9997 3615375 ACon1_001673 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D10 compound treatment -0.21 0.135 0.13 -0.105 0.253 0.23 -0.4 -0.14691756097561 -0.18419608245235 0.1062 0.3252 3559785 ACon1_001674 COc1ccc(cc1)C2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D11 mock treatment -0.247 0.0981 0.1 -0.166 0.192 0.18 -0.182 0.07108243902439 0.0891187323864182 0.2102 0.9502 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D12 mock treatment 0.056 0.401 0.4 -0.188 0.17 0.16 -0.219 0.03408243902439 0.0427304381247924 0.3455 0.8024 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D13 compound treatment 1.142 1.49 1.38 -0.323 0.0346 0.03 -0.467 -0.21391756097561 -0.268196507196375 0.6629 0.47 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D14 compound treatment -0.62 -0.275 -0.27 -0.701 -0.343 -0.32 -0.55 -0.29691756097561 -0.372256734864346 -0.5563 -0.9922 3615378 ACon1_001676 CCCCCCc1cc(O)c(C)c(OC(=O)C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D15 mock treatment 2.455 2.8 1.65 1.527 1.88 1.4 1.588 1.84108243902439 1.80408784294081 2.8014 0.9946 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D16 mock treatment 0.924 1.27 1.26 0.745 1.1 1.02 0.382 0.63508243902439 0.796226785455524 1.7776 0.9833 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D17 compound treatment 0.202 0.547 0.54 -0.105 0.253 0.23 -0.018 0.23508243902439 0.294731712356868 0.6192 0.9363 3615380 ACon1_001677 COc1cc(oc(=O)c1C)C(C)CC(C)(O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D18 compound treatment 0.749 1.09 1.09 1.305 1.66 1.34 1.004 1.25708243902439 1.57303164464951 2.312 0.9892 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D19 compound treatment 0.765 1.11 1.1 -0.014 0.344 0.32 0.048 0.30108243902439 0.377478399418146 1.0388 0.8592 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D20 compound treatment -1.47 -1.12 -1.12 -1.611 -1.25 -1.16 -1.554 -1.30091756097561 -1.63100936834198 -2.2574 -0.9845 3615386 ACon1_001680 COc1ccc(/C=C/c2cc(OC)cc(O)c2CC=C(C)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D21 compound treatment 1.622 1.97 1.51 1.55 1.91 1.4 1.784 2.03708243902439 1.8620570975358 2.755 0.9924 3615390 ACon1_001681 CC/C=C\CC/1C(=O)C=C\C1=C\CCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D22 compound treatment 0.191 0.536 0.53 0.293 0.651 0.6 0.549 0.80208243902439 1.00560097847421 1.2361 0.9599 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D23 compound treatment -0.635 -0.29 -0.29 -0.296 0.0616 0.06 -0.355 -0.10191756097561 -0.127777886728751 -0.2073 -0.6468 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 D24 compound treatment 0.07 0.415 0.41 0.1 0.458 0.42 0.067 0.32008243902439 0.401299415390332 0.7146 0.9998 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E01 mock treatment 0.238 0.583 0.58 0.199 0.557 0.52 -0.161 0.09208243902439 0.115447223724098 0.6989 0.8912 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E02 mock treatment -0.082 0.263 0.26 -0.951 -0.593 -0.55 0.213 0.46608243902439 0.584345117071342 0.1711 0.2029 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E03 compound treatment 0.072 0.417 0.41 -0.231 0.127 0.12 -0.035 0.21808243902439 0.273418171750175 0.4649 0.9111 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E04 compound treatment -0.695 -0.35 -0.35 -0.33 0.0276 0.03 -0.086 0.16708243902439 0.209477549930096 -0.0652 -0.1601 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E05 compound treatment -0.496 -0.151 -0.15 -0.275 0.0826 0.08 -0.135 0.11808243902439 0.14804440347551 0.043 0.1918 3557658 ACon1_001687 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E06 compound treatment 2.896 3.24 1.71 0.648 1.01 0.93 0.75 1.00308243902439 1.25760225270629 2.2492 0.9713 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E07 compound treatment -0.632 -0.287 -0.29 -0.273 0.0846 0.08 -0.235 0.01808243902439 0.0226706352008462 -0.1064 -0.3585 3552666 ACon1_001689 C[C@@H]1C[C@H]2OCC3=CCC[C@@H]([C@@]23CO)[C@]1(CC(O)c4ccoc4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E08 compound treatment -0.684 -0.339 -0.34 -0.594 -0.236 -0.22 -0.582 -0.32891756097561 -0.412376340712239 -0.559 -0.9709 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E09 mock treatment -0.001 0.344 0.34 0.422 0.78 0.72 -0.096 0.15708243902439 0.196940173102629 0.728 0.8848 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E10 mock treatment -0.373 -0.0279 -0.03 -0.431 -0.0734 -0.07 -0.284 -0.03091756097561 -0.0387625112537393 -0.0776 -0.9353 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E11 compound treatment 0.344 0.689 0.69 -0.406 -0.0484 -0.04 -0.179 0.07408243902439 0.0928799454346581 0.4233 0.611 3615414 ACon1_001691 CC(C)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E12 compound treatment -0.608 -0.263 -0.26 -0.134 0.224 0.21 -0.291 -0.03791756097561 -0.0475386750329658 -0.0588 -0.1746 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E13 compound treatment -0.086 0.259 0.26 -0.188 0.17 0.16 -0.508 -0.25491756097561 -0.319599752188987 0.0549 0.1248 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E14 compound treatment 0.106 0.451 0.45 0.249 0.607 0.56 -0.175 0.07808243902439 0.0978948961656447 0.6397 0.8819 3615420 ACon1_001694 CC1CCC2(C)C(CC(O)C(O)C2(O)CO)C1(C)CCc3ccoc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E15 compound treatment -0.586 -0.241 -0.24 -0.293 0.0646 0.06 -0.198 0.05508243902439 0.0690589294624719 -0.0639 -0.2492 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E16 compound treatment 0.875 1.22 1.21 -0.139 0.219 0.2 -0.372 -0.11891756097561 -0.149091427335444 0.7311 0.5902 3615425 ACon1_001696 CCCCCC[C@H](O)/C=C/CC1=C(O)CC[C@H](O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E17 mock treatment 0.051 0.396 0.39 -0.066 0.292 0.27 -0.383 -0.12991756097561 -0.162882541845657 0.2892 0.5733 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E18 mock treatment 0.706 1.05 1.04 0.15 0.508 0.47 0.571 0.82408243902439 1.03318320749464 1.4712 0.9536 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E19 compound treatment -0.61 -0.265 -0.26 -0.598 -0.24 -0.22 -0.444 -0.19091756097561 -0.239360540493202 -0.4188 -0.9976 3558102 ACon1_001697 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E20 compound treatment -0.064 0.281 0.28 0.234 0.592 0.55 0.356 0.60908243902439 0.763629605704112 0.9185 0.9368 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E21 compound treatment -0.6 -0.255 -0.25 -0.464 -0.106 -0.1 -0.406 -0.15291756097561 -0.19171850854883 -0.3139 -0.9434 3615429 ACon1_001699 OC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E22 compound treatment -1.207 -0.862 -0.86 -0.269 0.0886 0.08 -0.206 0.04708243902439 0.0590290280004988 -0.4133 -0.479 3559178 ACon1_001700 CC1(CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)OC(=O)/C=C/c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E23 compound treatment 0.952 1.3 1.29 1.209 1.57 1.32 0.326 0.57908243902439 0.726017475221713 1.9251 0.9712 3615432 ACon1_001701 CC(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 E24 compound treatment -0.28 0.0651 0.06 -0.497 -0.139 -0.13 -0.384 -0.13091756097561 -0.164136279528404 -0.1319 -0.6036 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F01 mock treatment -0.131 0.214 0.21 -0.095 0.263 0.24 0.016 0.26908243902439 0.337358793570253 0.458 0.9805 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F02 mock treatment -0.147 0.198 0.2 -0.308 0.0496 0.05 0.04 0.29308243902439 0.367448497956173 0.3524 0.8401 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F03 compound treatment -0.69 -0.345 -0.34 -0.575 -0.217 -0.2 -0.33 -0.07691756097561 -0.0964344446600849 -0.3699 -0.904 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F04 compound treatment -0.346 -9.34E-4 0.0 -0.529 -0.171 -0.16 -0.343 -0.08991756097561 -0.112733034535791 -0.1572 -0.8078 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F05 compound treatment 0.679 1.02 1.02 0.227 0.585 0.54 0.181 0.43408243902439 0.544225511223449 1.2145 0.9525 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F06 compound treatment -0.007 0.338 0.34 -0.036 0.322 0.3 -0.405 -0.15191756097561 -0.190464770866083 0.256 0.5249 3554104 ACon1_001706 CCC(C)(NC(=O)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F07 compound treatment 0.066 0.411 0.41 0.201 0.559 0.52 0.244 0.49708243902439 0.623210985236488 0.8944 0.9859 3615443 ACon1_001707 COc1cc(O)c2c(=O)oc(/C=C/C(=O)O)cc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F08 compound treatment 1.148 1.49 1.39 -0.81 -0.452 -0.42 -0.278 -0.02491756097561 -0.0312400851572595 0.5404 0.3731 3559796 ACon1_001708 CC(=O)OC1CCC2(C)C(CC[C@@H]3[C@@H]2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F09 mock treatment -0.037 0.308 0.31 -0.417 -0.0594 -0.05 -0.097 0.15608243902439 0.195686435419883 0.2581 0.702 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F10 mock treatment -0.192 0.153 0.15 -0.344 0.0136 0.01 0.036 0.28908243902439 0.362433547225186 0.3044 0.774 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F11 compound treatment -0.893 -0.548 -0.54 -1.067 -0.709 -0.66 -0.813 -0.55991756097561 -0.701989745426713 -1.099 -0.9946 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F12 compound treatment -0.173 0.172 0.17 -0.202 0.156 0.14 -0.026 0.22708243902439 0.284701810894894 0.3463 0.9566 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F13 compound treatment 1.045 1.39 1.35 0.851 1.21 1.12 0.451 0.70408243902439 0.882734685565043 1.9368 0.9856 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F14 compound treatment -0.887 -0.542 -0.54 -2.316 -1.96 -1.81 -1.318 -1.06491756097561 -1.33512727521377 -2.1288 -0.9194 3615454 ACon1_001712 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F15 compound treatment 0.025 0.37 0.37 -0.229 0.129 0.12 -0.109 0.14408243902439 0.180641583226923 0.3855 0.9031 3615457 ACon1_001713 CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F16 compound treatment -0.077 0.268 0.27 -0.802 -0.444 -0.41 -0.604 -0.35091756097561 -0.439958569732665 -0.3377 -0.5127 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F17 mock treatment -0.165 0.18 0.18 -0.248 0.11 0.1 0.005 0.25808243902439 0.32356767906004 0.3488 0.9095 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F18 mock treatment -0.457 -0.112 -0.11 -0.127 0.231 0.21 -0.48 -0.22691756097561 -0.284495097072081 -0.1052 -0.2823 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F19 compound treatment 1.374 1.72 1.45 1.152 1.51 1.3 1.301 1.55408243902439 1.70361996059179 2.5733 0.9939 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F20 compound treatment 0.305 0.65 0.65 0.475 0.833 0.77 0.4 0.65308243902439 0.818794063744964 1.291 0.9953 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F21 compound treatment -0.445 -0.0999 -0.1 -0.493 -0.135 -0.13 -0.157 0.09608243902439 0.120462174455084 -0.0602 -0.3006 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F22 compound treatment 0.081 0.426 0.42 0.326 0.684 0.63 0.056 0.30908243902439 0.387508300880119 0.8337 0.9756 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F23 compound treatment 2.165 2.51 1.61 2.718 3.08 1.58 1.421 1.67408243902439 1.74819916232906 2.8496 0.999 3615473 ACon1_001719 CCCCCCCCC#CC#C/C=C/CCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 F24 compound treatment -0.341 0.00407 0.0 -0.706 -0.348 -0.32 -0.328 -0.07491756097561 -0.0939269692945916 -0.2381 -0.7087 3615477 ACon1_001720 COc1cc(nc(/C=N/O)c1SC)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G01 compound treatment 0.778 1.12 1.12 1.035 1.39 1.27 0.818 1.07108243902439 1.34285641513306 2.1521 0.9971 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G02 compound treatment -0.328 0.0171 0.02 -0.341 0.0166 0.02 -0.034 0.21908243902439 0.274671909432921 0.1773 0.6431 3615484 ACon1_001722 CC1OC(Oc2ccc(cc2)c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G03 mock treatment 0.343 0.688 0.68 0.411 0.769 0.71 0.248 0.50108243902439 0.628225935967474 1.1685 0.9987 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G04 mock treatment 0.184 0.529 0.53 -0.275 0.0826 0.08 -0.085 0.16808243902439 0.210731287612842 0.4695 0.8211 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G05 compound treatment -0.243 0.102 0.1 -0.431 -0.0734 -0.07 -0.23 0.02308243902439 0.0289393236145793 0.0361 0.2873 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G06 compound treatment 0.009 0.354 0.35 0.169 0.527 0.49 -0.069 0.18408243902439 0.230791090536789 0.618 0.9594 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G07 compound treatment -0.679 -0.334 -0.33 -0.711 -0.353 -0.33 -0.616 -0.36291756097561 -0.455003421925625 -0.6433 -0.9876 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G08 compound treatment -0.804 -0.459 -0.46 -0.709 -0.351 -0.33 -0.587 -0.33391756097561 -0.418645029125972 -0.693 -0.9907 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G09 compound treatment 0.48 0.825 0.82 0.447 0.805 0.75 0.631 0.88408243902439 1.10840746845944 1.5437 0.9849 3559858 ACon1_001727 CCCCC[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G10 compound treatment -0.337 0.00807 0.01 -0.229 0.129 0.12 -0.143 0.11008243902439 0.138014502013537 0.1531 0.8389 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G11 compound treatment -0.225 0.12 0.12 -0.524 -0.166 -0.15 -0.245 0.00808243902438999 0.0101332583733797 -0.0142 -0.0727 3557471 ACon1_001729 COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G12 compound treatment 4.209 4.55 1.82 2.023 2.38 1.49 1.34 1.59308243902439 1.71855423072183 2.9012 0.9965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G13 compound treatment 1.094 1.44 1.37 3.628 3.99 1.66 2.743 2.99608243902439 2.06703007552688 2.9423 0.9861 3615503 ACon1_001731 CCCCCCCCCCCCCCCC(=O)CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G14 compound treatment -0.504 -0.159 -0.16 0.135 0.493 0.46 0.196 0.44908243902439 0.563031576464649 0.4972 0.6704 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G15 compound treatment 0.054 0.399 0.4 -0.164 0.194 0.18 0.237 0.49008243902439 0.614434821457261 0.6873 0.9127 3615506 ACon1_001733 Cc1ccc(c(O)c1)C(O)(CO)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G16 compound treatment 0.222 0.567 0.56 -0.359 -0.00139 0.0 -0.255 -0.00191756097561002 -0.0024041184540867 0.3234 0.5736 3615508 ACon1_001734 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G17 compound treatment -0.252 0.0931 0.09 -0.717 -0.359 -0.33 -0.051 0.20208243902439 0.253358368826228 0.0076 0.0177 3615509 ACon1_001735 COc1cccc2C(=O)c3c(C(O)c12)c(SCC(NC(=O)C)C(=O)O)cc4C(O)C(C)CC(=O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G18 compound treatment -0.49 -0.145 -0.14 -0.057 0.301 0.28 -0.247 0.00608243902438999 0.00762578300788645 0.0819 0.2613 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G19 mock treatment -0.611 -0.266 -0.26 -0.405 -0.0474 -0.04 -0.476 -0.22291756097561 -0.279480146341095 -0.3393 -0.8764 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G20 mock treatment 0.108 0.453 0.45 0.595 0.953 0.88 0.317 0.57008243902439 0.714733836076993 1.182 0.9677 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G21 compound treatment -0.62 -0.275 -0.27 -0.108 0.25 0.23 -0.859 -0.60591756097561 -0.759661678833059 -0.463 -0.5513 2106469 ACon1_001737 COc1ccc2ccc(=O)oc2c1C(O)C(O)C(=C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G22 compound treatment -0.775 -0.43 -0.43 -0.41 -0.0524 -0.05 -0.2 0.05308243902439 0.0665514540969786 -0.2364 -0.543 3615514 ACon1_001738 COC1=CC(=O)OC1C(O)C(O)C(OC(=O)C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G23 compound treatment -0.788 -0.443 -0.44 -0.31 0.0476 0.04 -0.267 -0.01391756097561 -0.0174489706470464 -0.2389 -0.5393 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 G24 compound treatment 1.265 1.61 1.42 0.307 0.665 0.62 -0.117 0.13608243902439 0.17061168176495 1.2741 0.8179 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H01 compound treatment 0.328 0.673 0.67 -0.43 -0.0724 -0.07 -0.381 -0.12791756097561 -0.160375066480164 0.255 0.3689 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H02 compound treatment 0.915 1.26 1.25 0.183 0.541 0.5 -0.052 0.20108243902439 0.252104631143482 1.1578 0.8437 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H03 mock treatment 0.7 1.05 1.04 1.102 1.46 1.29 0.473 0.72608243902439 0.910316914585469 1.8694 0.9896 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H04 mock treatment -0.312 0.0331 0.03 -0.008 0.35 0.32 -0.106 0.14708243902439 0.184402796275163 0.3123 0.8351 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H05 compound treatment 0.092 0.437 0.43 -0.273 0.0846 0.08 -0.006 0.24708243902439 0.309776564549827 0.4749 0.8806 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H06 compound treatment 0.353 0.698 0.69 0.442 0.8 0.74 0.45 0.70308243902439 0.881480947882296 1.3371 0.9947 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H07 compound treatment 0.88 1.23 1.22 0.339 0.697 0.65 0.453 0.70608243902439 0.885242160930536 1.5867 0.9687 2060370 ACon1_001745 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H08 compound treatment -0.499 -0.154 -0.15 -0.739 -0.381 -0.35 -0.512 -0.25891756097561 -0.324614702919974 -0.4797 -0.9527 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H09 compound treatment -0.645 -0.3 -0.3 -0.921 -0.563 -0.52 -0.503 -0.24991756097561 -0.313331063775254 -0.6542 -0.9654 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H10 compound treatment -0.851 -0.506 -0.5 -0.782 -0.424 -0.39 -0.428 -0.17491756097561 -0.219300737569256 -0.6439 -0.954 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H11 compound treatment 0.381 0.726 0.72 0.07 0.428 0.4 0.247 0.50008243902439 0.626972198284728 1.0073 0.9734 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H12 compound treatment -0.353 -0.00793 -0.01 -0.167 0.191 0.18 -0.218 0.03508243902439 0.0439841758075391 0.1227 0.6742 3615541 ACon1_001750 CCCC1=CC(=O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H13 compound treatment -0.284 0.0611 0.06 -0.327 0.0306 0.03 -0.195 0.05808243902439 0.0728201425107118 0.0935 0.9445 3558466 ACon1_001751 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H14 compound treatment -0.312 0.0331 0.03 -0.188 0.17 0.16 -0.555 -0.30191756097561 -0.378525423278079 -0.1089 -0.2649 3615544 ACon1_001752 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@]41CCC5(COC(O)C5)O4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H15 compound treatment 0.21 0.555 0.55 0.13 0.488 0.45 -0.059 0.19408243902439 0.243328467364255 0.7198 0.9554 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H16 compound treatment 2.757 3.1 1.69 1.699 2.06 1.43 1.778 2.03108243902439 1.8603898389022 2.876 0.9944 3615551 ACon1_001754 COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc4-c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H17 compound treatment 0.541 0.886 0.88 0.146 0.504 0.47 0.211 0.46408243902439 0.581837641705849 1.1137 0.965 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H18 compound treatment -0.642 -0.297 -0.3 0.304 0.662 0.61 -0.58 -0.32691756097561 -0.409868865346745 -0.0534 -0.0672 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H19 mock treatment -0.28 0.0651 0.06 -0.046 0.312 0.29 -0.289 -0.03591756097561 -0.0450311996674725 0.1779 0.5949 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H20 mock treatment -0.516 -0.171 -0.17 -0.297 0.0606 0.06 -0.351 -0.09791756097561 -0.122762935997764 -0.1366 -0.6294 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H21 compound treatment 0.097 0.442 0.44 -0.201 0.157 0.15 -0.478 -0.22491756097561 -0.281987621706588 0.1747 0.3223 3615562 ACon1_001757 CC1CCC2C(C)(C=O)C(O)CCC2(C)C1CC/C(=C\C(=O)O)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H22 compound treatment 0.395 0.74 0.74 -0.304 0.0536 0.05 -0.211 0.04208243902439 0.0527603395867656 0.4839 0.6545 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H23 compound treatment 0.11 0.455 0.45 0.236 0.594 0.55 -0.075 0.17808243902439 0.223268664440309 0.7074 0.9482 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 H24 compound treatment -0.657 -0.312 -0.31 -0.132 0.226 0.21 -0.434 -0.18091756097561 -0.226823163665736 -0.1894 -0.4331 1055133 ACon1_001760 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I01 compound treatment 0.514 0.859 0.85 -0.071 0.287 0.27 -0.165 0.08808243902439 0.110432272993111 0.7101 0.788 3615574 ACon1_001761 CNC1CCC23CC34CCC5(C)C(C(C)N(C)C(=O)C)C(O)CC5(C)C4CCC2C1=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I02 compound treatment -0.619 -0.274 -0.27 -0.988 -0.63 -0.58 -0.227 0.02608243902439 0.0327005366628193 -0.4754 -0.7371 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I03 compound treatment -0.723 -0.378 -0.38 -1.107 -0.749 -0.69 -0.628 -0.37491756097561 -0.470048274118584 -0.8889 -0.9678 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I04 compound treatment -0.405 -0.0599 -0.06 -0.603 -0.245 -0.23 -0.315 -0.06191756097561 -0.0776283794188852 -0.2104 -0.8505 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I05 mock treatment -0.036 0.309 0.31 -0.286 0.0716 0.07 0.1 0.35308243902439 0.442672758920971 0.4713 0.868 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I06 mock treatment 0.015 0.36 0.36 -0.259 0.0986 0.09 0.226 0.47908243902439 0.600643706947048 0.6062 0.8596 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I07 compound treatment -0.771 -0.426 -0.42 -0.452 -0.0944 -0.09 -0.381 -0.12791756097561 -0.160375066480164 -0.3875 -0.8403 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I08 compound treatment -0.385 -0.0399 -0.04 -0.298 0.0596 0.06 -0.114 0.13908243902439 0.17437289481319 0.1096 0.5857 3615588 ACon1_001766 C[C@H]1[C@H](O)C=CC2=CC(=O)[C@@](O)(C[C@]12C)C(=C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I09 compound treatment -0.389 -0.0439 -0.04 1.123 1.48 1.29 -0.634 -0.38091756097561 -0.477570700215064 0.4466 0.3234 3554244 ACon1_001767 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I10 compound treatment 8.056 8.4 1.99 7.416 7.77 1.84 1.953 2.20608243902439 1.90655953254261 3.3068 0.9995 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I11 compound treatment -0.402 -0.0569 -0.06 -0.487 -0.129 -0.12 -0.111 0.14208243902439 0.17813410786143 0.001 0.0045 3555007 ACon1_001769 COc1cc(OC)c2c(O)c3C(=O)CC(C)(O)Oc3cc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I12 compound treatment -0.15 0.195 0.19 -0.522 -0.164 -0.15 -0.131 0.12208243902439 0.153059354206497 0.1125 0.3875 3615597 ACon1_001770 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I13 compound treatment -0.069 0.276 0.27 -0.702 -0.344 -0.32 -0.503 -0.24991756097561 -0.313331063775254 -0.2066 -0.3937 3615600 ACon1_001771 COc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I14 compound treatment -0.319 0.0261 0.03 -0.739 -0.381 -0.35 -0.411 -0.15791756097561 -0.197987196962563 -0.3032 -0.7475 3615602 ACon1_001772 COc1cc(O)c-2c(CCc3cc(O)c(OC)cc32)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I15 compound treatment -0.659 -0.314 -0.31 -0.59 -0.232 -0.22 -0.271 -0.01791756097561 -0.022463921378033 -0.3174 -0.8358 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I16 compound treatment -0.663 -0.318 -0.32 -0.59 -0.232 -0.22 -0.593 -0.33991756097561 -0.426167455222452 -0.5528 -0.9654 3615608 ACon1_001774 CC1(C)C2CC[C@]3(C[C@H]4CC[C@H]3[C@@]52CC[C@@]1(O)OC5)CC4(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I17 compound treatment -0.911 -0.566 -0.56 -0.604 -0.246 -0.23 -0.669 -0.41591756097561 -0.521451519111197 -0.7576 -0.9466 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I18 compound treatment -0.359 -0.0139 -0.01 -0.484 -0.126 -0.12 -0.379 -0.12591756097561 -0.15786759111467 -0.1667 -0.8462 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I19 compound treatment -0.006 0.339 0.34 -0.33 0.0276 0.03 -0.345 -0.09191756097561 -0.115240509901284 0.1428 0.3999 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I20 compound treatment -0.298 0.0471 0.05 -0.146 0.212 0.2 -0.27 -0.01691756097561 -0.0212101836952864 0.1279 0.6314 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I21 mock treatment -0.378 -0.0329 -0.03 -0.416 -0.0584 -0.05 -0.393 -0.13991756097561 -0.175419918673123 -0.1514 -0.812 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I22 mock treatment 4.045 4.39 1.81 6.178 6.54 1.79 1.882 2.13508243902439 1.88842203434038 3.1709 0.9997 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I23 compound treatment 0.026 0.371 0.37 -0.433 -0.0754 -0.07 -0.156 0.09708243902439 0.121715912137831 0.243 0.6156 3615618 ACon1_001779 COc1cc(CCC(=O)O)oc(=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 I24 compound treatment -0.051 0.294 0.29 -0.844 -0.486 -0.45 -0.666 -0.41291756097561 -0.517690306062957 -0.3901 -0.5231 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J01 compound treatment -0.036 0.309 0.31 -0.378 -0.0204 -0.02 -0.226 0.02708243902439 0.0339542743455659 0.1861 0.6009 3615624 ACon1_001781 CC(=CCc1c(O)ccc2cc(O)c(=O)oc12)COC3OC(CO)C(O)C(O)C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J02 compound treatment -0.083 0.262 0.26 -0.201 0.157 0.15 -0.12 0.13308243902439 0.16685046871671 0.3305 0.9672 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J03 compound treatment -0.773 -0.428 -0.43 -0.806 -0.448 -0.42 -0.492 -0.23891756097561 -0.299539949265041 -0.6583 -0.9889 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J04 compound treatment -0.534 -0.189 -0.19 -1.05 -0.692 -0.64 -0.547 -0.29391756097561 -0.368495521816106 -0.6913 -0.9061 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J05 mock treatment -0.091 0.254 0.25 -0.37 -0.0124 -0.01 -0.229 0.02408243902439 0.030193061297326 0.1566 0.6151 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J06 mock treatment -0.325 0.0201 0.02 -0.007 0.351 0.32 -0.588 -0.33491756097561 -0.419898766808719 -0.0435 -0.0819 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J07 compound treatment 0.685 1.03 1.02 0.195 0.553 0.51 0.3 0.55308243902439 0.6934202954703 1.287 0.9616 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J08 compound treatment -0.36 -0.0149 -0.01 -0.566 -0.208 -0.19 -0.234 0.01908243902439 0.0239243728835928 -0.1062 -0.5444 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J09 compound treatment 0.255 0.6 0.6 -0.099 0.259 0.24 0.489 0.74208243902439 0.930376717509415 1.0198 0.9018 3557709 ACon1_001787 COc1cc(cc(OC)c1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J10 compound treatment -1.002 -0.657 -0.65 -1.241 -0.883 -0.82 -0.014 0.23908243902439 0.299746663087854 -0.6763 -0.6211 3559803 ACon1_001788 CC12CC[C@H]3C(CCC4(O)CC(O)CCC34O)C2(O)CCC1C5=CC(=O)OC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J11 compound treatment -0.294 0.0511 0.05 -0.665 -0.307 -0.28 -0.337 -0.08391756097561 -0.105210608439311 -0.1958 -0.6363 3559166 ACon1_001789 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5ccc4c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J12 compound treatment 0.429 0.774 0.77 0.059 0.417 0.39 0.027 0.28008243902439 0.351149908080466 0.8698 0.9355 3615637 ACon1_001790 O[C@@H]1CO[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J13 compound treatment 2.582 2.93 1.67 1.741 2.1 1.44 1.366 1.61908243902439 1.7282665335022 2.7919 0.997 3557350 ACon1_001791 C[C@@H]1CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J14 compound treatment 0.036 0.381 0.38 0.15 0.508 0.47 0.175 0.42808243902439 0.53670308512697 0.8 0.9903 3615642 ACon1_001792 CC1(CCCC2(C)C3CCC(=C)C(C=C)C3CCC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J15 compound treatment 0.052 0.397 0.39 -0.3 0.0576 0.05 -0.059 0.19408243902439 0.243328467364255 0.3992 0.8552 3615644 ACon1_001793 Cc1cc2c(CO)cc(SCC(O)C(=O)O)cc2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J16 compound treatment -0.32 0.0251 0.02 -0.443 -0.0854 -0.08 -0.636 -0.38291756097561 -0.480078175580557 -0.3084 -0.6331 3615646 ACon1_001794 OCC1OC(Oc2c(O)cccc2COC(=O)C3(O)C=CCCC3=O)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J17 compound treatment -0.193 0.152 0.15 -0.25 0.108 0.1 -0.438 -0.18491756097561 -0.231838114396722 0.011 0.0373 3615649 ACon1_001795 OC(CNC(=O)/C=C/c1ccc(O)cc1)c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J18 compound treatment -0.27 0.0751 0.07 -0.19 0.168 0.16 -0.397 -0.14391756097561 -0.18043486940411 0.0285 0.1143 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J19 compound treatment 0.388 0.733 0.73 0.629 0.987 0.91 0.088 0.34108243902439 0.427627906728012 1.1951 0.9604 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J20 compound treatment -0.345 6.6E-5 0.0 -0.544 -0.186 -0.17 -0.264 -0.01091756097561 -0.0136877575988065 -0.1075 -0.621 3615662 ACon1_001798 CC1OC(Oc2cc(O)c3c(=O)cc(oc3c2C4OC(CO)C(O)C(O)C4O)c5ccc(O)cc5)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J21 mock treatment 0.341 0.686 0.68 0.18 0.538 0.5 0.102 0.35508243902439 0.445180234286465 0.9382 0.9829 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J22 mock treatment -0.382 -0.0369 -0.04 -0.457 -0.0994 -0.09 -0.411 -0.15791756097561 -0.197987196962563 -0.1886 -0.852 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J23 compound treatment -0.365 -0.0199 -0.02 -0.685 -0.327 -0.3 -0.432 -0.17891756097561 -0.224315688300242 -0.316 -0.8367 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 J24 compound treatment 0.545 0.89 0.88 0.657 1.01 0.94 0.251 0.50408243902439 0.631987149015714 1.4182 0.9869 3615667 ACon1_001800 COc1ccc2nccc(C(O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K01 compound treatment 0.915 1.26 1.25 1.667 2.02 1.42 0.015 0.26808243902439 0.336105055887507 1.7394 0.9031 3615669 ACon1_001801 CCN1CC2(COC)CCC(O)C3(C4CC5C(O)C4C(O)(CC5OC)C6C(OC)C32)C61 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K02 compound treatment -0.217 0.128 0.13 -1.488 -1.13 -1.05 -0.241 0.01208243902439 0.0151482091043663 -0.522 -0.4951 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K03 compound treatment -0.509 -0.164 -0.16 0.015 0.373 0.35 -0.186 0.06708243902439 0.0841037816554316 0.1537 0.3933 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K04 compound treatment 0.16 0.505 0.5 -0.09 0.268 0.25 -0.034 0.21908243902439 0.274671909432921 0.5915 0.9485 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K05 compound treatment -0.337 0.00807 0.01 -0.534 -0.176 -0.16 -0.03 0.22308243902439 0.279686860163908 0.0718 0.2216 3555002 ACon1_001805 COc1cc(oc(=O)c1)[C@H](Cc2ccccc2)NC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K06 compound treatment 0.479 0.824 0.82 -0.476 -0.118 -0.11 -0.092 0.16108243902439 0.201955123833616 0.5263 0.6185 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K07 mock treatment -0.084 0.261 0.26 0.174 0.532 0.49 -0.206 0.04708243902439 0.0590290280004988 0.4681 0.8365 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K08 mock treatment 0.086 0.431 0.43 -0.069 0.289 0.27 -0.031 0.22208243902439 0.278433122481161 0.5625 0.9753 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K09 compound treatment 0.724 1.07 1.06 0.094 0.452 0.42 -0.23 0.02308243902439 0.0289393236145793 0.8718 0.763 3553885 ACon1_001807 CC1(CC(=O)O)CCC2(O1)C(=CCC3C(C)(C)C(O)CCC32C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K10 compound treatment -0.805 -0.46 -0.46 -0.282 0.0756 0.07 0.178 0.43108243902439 0.540464298175209 0.0885 0.1244 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K11 compound treatment 1.035 1.38 1.35 0.114 0.472 0.44 0.267 0.52008243902439 0.652046951939661 1.4076 0.9018 3558491 ACon1_001809 COc1cc(ccc1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K12 compound treatment -0.055 0.29 0.29 -0.355 0.00261 0.0 -0.474 -0.22091756097561 -0.276972670975601 0.008 0.02 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K13 compound treatment -0.266 0.0791 0.08 -0.099 0.259 0.24 0.587 0.84008243902439 1.05324301041859 0.7917 0.7311 3557476 ACon1_001811 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c4oc(cc(=O)c4c2O)c5ccc(O)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K14 compound treatment -0.505 -0.16 -0.16 -0.189 0.169 0.16 -0.197 0.05608243902439 0.0703126671452185 0.0389 0.1666 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K15 mock treatment 0.202 0.547 0.54 0.359 0.717 0.66 -0.011 0.24208243902439 0.303507876136094 0.8723 0.9585 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K16 mock treatment 0.398 0.743 0.74 -0.055 0.303 0.28 0.323 0.57608243902439 0.722256262173473 1.0053 0.9391 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K17 compound treatment 1.253 1.6 1.42 1.115 1.47 1.29 0.965 1.21808243902439 1.52715585449682 2.4462 0.9977 3615697 ACon1_001813 CC(=CCc1cc(CC(N)C(=O)O)ccc1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K18 compound treatment -0.016 0.329 0.33 -0.14 0.218 0.2 -0.253 8.24390243899797E-5 1.03356911406587E-4 0.3053 0.7945 3615699 ACon1_001814 Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K19 compound treatment -0.629 -0.284 -0.28 -0.398 -0.0404 -0.04 -0.325 -0.07191756097561 -0.0901657562463517 -0.2366 -0.7922 1012497 ACon1_001815 NC(Cc1c[nH]c2ccccc12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K20 compound treatment -1.262 -0.917 -0.91 -0.421 -0.0634 -0.06 -0.556 -0.30291756097561 -0.379779160960826 -0.7795 -0.7879 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K21 compound treatment -0.619 -0.274 -0.27 0.298 0.656 0.61 0.097 0.35008243902439 0.438911545872731 0.4467 0.5604 3615703 ACon1_001817 COC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K22 compound treatment -0.072 0.273 0.27 -0.04 0.318 0.29 -0.427 -0.17391756097561 -0.218046999886509 0.2006 0.4402 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K23 mock treatment 4.106 4.45 1.81 0.708 1.07 0.99 0.593 0.84608243902439 1.06076543651507 2.2291 0.9604 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 K24 mock treatment 0.113 0.458 0.46 0.303 0.661 0.61 0.147 0.40008243902439 0.501598430010064 0.9057 0.9922 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L01 compound treatment -0.533 -0.188 -0.19 -0.998 -0.64 -0.59 0.365 0.61808243902439 0.774913244848832 -0.0028 -0.0028 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L02 compound treatment -0.163 0.182 0.18 -0.248 0.11 0.1 -0.376 -0.12291756097561 -0.15410637806643 0.0741 0.2868 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L03 compound treatment 3.005 3.35 1.72 0.621 0.979 0.91 0.676 0.92908243902439 1.16482566418304 2.188 0.9658 3615714 ACon1_001821 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc3ccccc3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L04 compound treatment -0.01 0.335 0.33 0.323 0.681 0.63 0.021 0.27408243902439 0.343627481983987 0.7546 0.9535 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L05 compound treatment 0.373 0.718 0.71 0.063 0.421 0.39 0.785 1.03808243902439 1.30148307160242 1.3884 0.9047 3615720 ACon1_001823 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L06 compound treatment 0.627 0.972 0.97 0.297 0.655 0.61 0.084 0.33708243902439 0.422612955997025 1.1519 0.9469 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L07 mock treatment -0.024 0.321 0.32 -0.1 0.258 0.24 -0.16 0.09308243902439 0.116700961406844 0.3894 0.9378 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L08 mock treatment -0.081 0.264 0.26 -0.159 0.199 0.18 -0.265 -0.01191756097561 -0.0149414952815531 0.2491 0.7764 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L09 compound treatment -0.663 -0.318 -0.32 -0.783 -0.425 -0.39 -0.751 -0.49791756097561 -0.624258009096421 -0.7703 -0.9593 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L10 compound treatment 1.665 2.01 1.52 0.002 0.36 0.33 0.181 0.43408243902439 0.544225511223449 1.3834 0.8397 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L11 compound treatment 0.867 1.21 1.2 0.516 0.874 0.81 0.32 0.57308243902439 0.718495049125233 1.5776 0.9741 3615725 ACon1_001827 COC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L12 compound treatment -0.983 -0.638 -0.63 -0.35 0.00761 0.01 -0.048 0.20508243902439 0.257119581874468 -0.2136 -0.3122 3615727 ACon1_001828 Cc1cc2C(=O)OC(c2c(O)c1)c3c(O)cccc3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L13 compound treatment 0.675 1.02 1.01 1.227 1.58 1.32 0.022 0.27508243902439 0.344881219666733 1.5488 0.9096 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L14 compound treatment 0.757 1.1 1.1 0.074 0.432 0.4 0.291 0.54408243902439 0.68213665632558 1.2571 0.9305 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L15 mock treatment 0.916 1.26 1.25 0.865 1.22 1.13 -0.557 -0.30391756097561 -0.381032898643573 1.1574 0.6684 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L16 mock treatment -0.094 0.251 0.25 0.312 0.67 0.62 -0.057 0.19608243902439 0.245835942729748 0.644 0.9043 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L17 compound treatment 0.895 1.24 1.23 0.174 0.532 0.49 0.46 0.71308243902439 0.894018324709763 1.5121 0.9448 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L18 compound treatment 0.261 0.606 0.6 -0.047 0.311 0.29 0.042 0.29508243902439 0.369955973321666 0.7275 0.9531 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L19 compound treatment 2.856 3.2 1.7 2.451 2.81 1.55 2.098 2.35108243902439 1.94132605842796 2.9962 0.9956 3615738 ACon1_001833 C/C(=C\CC(C)(C)CCC(=O)c1ccoc1)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L20 compound treatment -0.864 -0.519 -0.52 0.1 0.458 0.42 -0.372 -0.11891756097561 -0.149091427335444 -0.1393 -0.2036 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L21 compound treatment 1.054 1.4 1.36 0.402 0.76 0.7 0.471 0.72408243902439 0.907809439219976 1.713 0.9641 3559153 ACon1_001835 CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L22 compound treatment -0.004 0.341 0.34 -0.046 0.312 0.29 0.231 0.48408243902439 0.606912395360781 0.7128 0.9469 3615746 ACon1_001836 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L23 mock treatment 0.685 1.03 1.02 0.29 0.648 0.6 0.334 0.58708243902439 0.736047376683686 1.3624 0.9756 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 L24 mock treatment -0.574 -0.229 -0.23 -0.367 -0.00939 -0.01 -0.208 0.04508243902439 0.0565215526350055 -0.1038 -0.4423 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M01 compound treatment 0.451 0.796 0.79 0.547 0.905 0.84 0.095 0.34808243902439 0.436404070507238 1.1925 0.9677 3615749 ACon1_001837 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)N4C\C5=C\C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M02 compound treatment -1.373 -1.03 -1.02 -0.93 -0.572 -0.53 0.097 0.35008243902439 0.438911545872731 -0.6426 -0.5216 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M03 compound treatment 0.179 0.524 0.52 -0.019 0.339 0.31 -0.066 0.18708243902439 0.234552303585029 0.6172 0.9471 3557747 ACon1_001839 C/C(=C\C(=O)O)/CCC1C(C)(O)CCC2C(C)(CO)CCCC12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M04 compound treatment -0.258 0.0871 0.09 -0.427 -0.0694 -0.06 -0.326 -0.07291756097561 -0.0914194939290983 -0.0399 -0.2823 3615755 ACon1_001840 CCC(C)CCC(O)C1CC(CO)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M05 compound treatment 0.813 1.16 1.15 0.395 0.753 0.7 1.359 1.61208243902439 1.72567042771855 2.0634 0.9429 3554765 ACon1_001841 COc1c(O)c2c(CCC3C(C)(C)[C@@H]4CC[C@@]32C(=O)O4)cc1C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M06 compound treatment 0.261 0.606 0.6 0.119 0.477 0.44 0.016 0.26908243902439 0.337358793570253 0.7974 0.9731 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M07 compound treatment -1.051 -0.706 -0.7 -0.753 -0.395 -0.37 -0.531 -0.27791756097561 -0.34843571889216 -0.8177 -0.9455 812 ACon1_001843 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M08 compound treatment -0.173 0.172 0.17 -0.53 -0.172 -0.16 -0.344 -0.09091756097561 -0.113986772218538 -0.0592 -0.2275 3615763 ACon1_001844 CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](C)O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M09 mock treatment -0.064 0.281 0.28 0.888 1.25 1.15 -0.122 0.13108243902439 0.164342993351217 0.9221 0.7697 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M10 mock treatment 0.685 1.03 1.02 0.906 1.26 1.17 0.272 0.52508243902439 0.658315640353394 1.6468 0.9753 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M11 compound treatment 5.408 5.75 1.89 7.195 7.55 1.83 3.065 3.31808243902439 2.11666698133632 3.3685 0.998 3615766 ACon1_001845 CCC/C=C/C=C/C1CC(O)C(O)C1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M12 compound treatment -0.901 -0.556 -0.55 -1.399 -1.04 -0.96 -1.131 -0.87791756097561 -1.10067832854015 -1.5113 -0.9662 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M13 mock treatment 0.007 0.352 0.35 -0.011 0.347 0.32 -0.126 0.12708243902439 0.15932804262023 0.4794 0.957 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M14 mock treatment -0.39 -0.0449 -0.04 -0.651 -0.293 -0.27 -0.386 -0.13291756097561 -0.166643754893897 -0.2788 -0.8665 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M15 compound treatment -0.42 -0.0749 -0.07 -0.316 0.0416 0.04 -0.121 0.13208243902439 0.165596731033963 0.0748 0.4032 3615774 ACon1_001847 OC1Cc2c(OC1c3ccc(O)c(O)c3)cc(O)c4C(CC(Oc24)c5ccc(O)c(O)c5)c6ccc(O)c(O)c6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M16 compound treatment -0.175 0.17 0.17 -0.425 -0.0674 -0.06 -0.34 -0.08691756097561 -0.108971821487551 -0.0013 -0.0063 3615776 ACon1_001848 COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M17 compound treatment 4.478 4.82 1.84 1.881 2.24 1.46 2.796 3.04908243902439 2.07569744150679 3.1042 0.9902 3615778 ACon1_001849 COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M18 compound treatment 1.693 2.04 1.52 0.598 0.956 0.88 0.239 0.49208243902439 0.616942296822755 1.7474 0.9356 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M19 compound treatment 0.269 0.614 0.61 -0.167 0.191 0.18 -0.313 -0.05991756097561 -0.0751209040533919 0.411 0.6423 3615782 ACon1_001851 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)c5ccccc5NC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M20 compound treatment -0.673 -0.328 -0.33 -0.316 0.0416 0.04 0.138 0.39108243902439 0.490314790865344 0.1171 0.1985 3615785 ACon1_001852 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M21 compound treatment 0.555 0.9 0.89 -0.142 0.216 0.2 0.034 0.28708243902439 0.359926071859693 0.8397 0.8525 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M22 compound treatment -0.195 0.15 0.15 -0.429 -0.0714 -0.07 -0.152 0.10108243902439 0.126730862868817 0.1211 0.5863 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M23 compound treatment 0.432 0.777 0.77 -0.009 0.349 0.32 0.559 0.81208243902439 1.01813835530168 1.2202 0.9257 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 M24 compound treatment 2.082 2.43 1.6 0.311 0.669 0.62 0.501 0.75408243902439 0.945421569702375 1.8253 0.933 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N01 compound treatment 0.227 0.572 0.57 -0.025 0.333 0.31 -0.066 0.18708243902439 0.234552303585029 0.6416 0.9326 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N02 compound treatment -0.365 -0.0199 -0.02 -0.49 -0.132 -0.12 -0.284 -0.03091756097561 -0.0387625112537393 -0.1046 -0.804 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N03 compound treatment -0.737 -0.392 -0.39 -0.389 -0.0314 -0.03 -0.14 0.11308243902439 0.141775715061777 -0.1599 -0.3847 3615800 ACon1_001859 C/C=C/C1C2OC3=C(C(=O)OC3(C)O)C(=O)C1(C)C4CC(O)C(C)CC4C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N04 compound treatment -0.326 0.0191 0.02 -0.347 0.0106 0.01 0.117 0.37008243902439 0.463986299527664 0.2845 0.6125 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N05 compound treatment -0.313 0.0321 0.03 -0.278 0.0796 0.07 -0.176 0.07708243902439 0.0966411584828981 0.1168 0.9292 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N06 compound treatment 1.519 1.86 1.49 -0.196 0.162 0.15 0.078 0.33108243902439 0.415090529900545 1.1841 0.7638 3557396 ACon1_001862 COC(=O)c1cc(C)cc(OC)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N07 compound treatment 0.089 0.434 0.43 -0.238 0.12 0.11 0.177 0.43008243902439 0.539210560492463 0.6244 0.8927 3615812 ACon1_001863 COc1cc-2c(CCc3cc(O)c(O)cc32)c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N08 compound treatment -0.57 -0.225 -0.22 -1.046 -0.688 -0.64 -0.394 -0.14091756097561 -0.17667365635587 -0.5991 -0.8581 3557452 ACon1_001864 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N09 mock treatment -0.078 0.267 0.27 0.058 0.416 0.38 -0.061 0.19208243902439 0.240820991998762 0.5145 0.9783 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N10 mock treatment -0.4 -0.0549 -0.05 -0.767 -0.409 -0.38 -0.447 -0.19391756097561 -0.243121753541442 -0.3908 -0.8614 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N11 compound treatment 1.643 1.99 1.51 0.763 1.12 1.04 0.611 0.86408243902439 1.08333271480451 2.0987 0.9847 3615814 ACon1_001865 CC1CC(=O)C2=C(CCC34OC42C(=O)c5cccc(O)c5C3O)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N12 compound treatment 0.521 0.866 0.86 -0.363 -0.00539 0.0 -0.166 0.08708243902439 0.109178535310364 0.5573 0.6421 3554299 ACon1_001866 CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N13 mock treatment -0.299 0.0461 0.05 -0.481 -0.123 -0.11 -0.078 0.17508243902439 0.219507451392069 0.0872 0.3465 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N14 mock treatment -0.01 0.335 0.33 -0.455 -0.0974 -0.09 -0.238 0.01508243902439 0.0189094221526062 0.1512 0.4374 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N15 compound treatment 0.2 0.545 0.54 0.275 0.633 0.59 0.053 0.30608243902439 0.383747087831879 0.8726 0.9855 2121 ACon1_001867 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N16 compound treatment -0.399 -0.0539 -0.05 0.318 0.676 0.63 -0.334 -0.08091756097561 -0.101449395391071 0.2716 0.4271 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N17 compound treatment -0.343 0.00207 0.0 -0.593 -0.235 -0.22 -0.477 -0.22391756097561 -0.280733884023841 -0.2867 -0.8068 3615822 ACon1_001869 CC12CC(OC(=O)C2CCC3(C)C1C4OC(=O)C3(O)C5OC54)c6ccoc6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N18 compound treatment -0.008 0.337 0.34 -0.265 0.0926 0.09 0.349 0.60208243902439 0.754853441924885 0.6788 0.8175 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N19 compound treatment 0.529 0.874 0.87 0.183 0.541 0.5 0.549 0.80208243902439 1.00560097847421 1.3713 0.9656 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N20 compound treatment -0.163 0.182 0.18 -0.361 -0.00339 0.0 -0.156 0.09708243902439 0.121715912137831 0.173 0.7929 3615833 ACon1_001872 CCCCCC1CC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N21 compound treatment -0.047 0.298 0.3 -0.202 0.156 0.14 -0.179 0.07408243902439 0.0928799454346581 0.3079 0.8994 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N22 compound treatment 0.342 0.687 0.68 0.69 1.05 0.97 0.554 0.80708243902439 1.01186966688795 1.5386 0.9867 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N23 compound treatment -0.143 0.202 0.2 -0.394 -0.0364 -0.03 -0.305 -0.05191756097561 -0.0650910025914188 0.0589 0.2757 3615837 ACon1_001875 C[C@@H]1CCC2C(C)(C)[C@@H](CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 N24 compound treatment 1.357 1.7 1.45 1.356 1.71 1.36 0.556 0.80908243902439 1.01437714225344 2.2036 0.9895 3615844 ACon1_001876 COC(=O)C12C(O)C34CC2N5C/C(=C/C)/C1CC5C4N(C)c6ccccc63 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O01 compound treatment -0.187 0.158 0.16 -0.183 0.175 0.16 0.007 0.26008243902439 0.326075154425534 0.3723 0.9392 3615850 ACon1_001877 COc1cc2CCNC3Cc4ccccc4-c(c1OC)c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O02 compound treatment -0.151 0.194 0.19 -0.465 -0.107 -0.1 0.759 1.01208243902439 1.26888589185101 0.7866 0.611 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O03 compound treatment 0.129 0.474 0.47 -0.077 0.281 0.26 0.172 0.42508243902439 0.53294187207873 0.7298 0.9636 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O04 compound treatment -0.525 -0.18 -0.18 -0.496 -0.138 -0.13 -0.243 0.01008243902439 0.012640733738873 -0.17 -0.7711 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O05 compound treatment 2.318 2.66 1.63 0.926 1.28 1.19 0.394 0.64708243902439 0.811271637648484 2.0978 0.9636 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O06 compound treatment -0.422 -0.0769 -0.08 -0.499 -0.141 -0.13 -0.37 -0.11691756097561 -0.146583951969951 -0.2044 -0.9691 3615865 ACon1_001882 CC1C2CC3(CC(O)C4C(C)(CCCC4(C)C3(O)CC2)C(=O)OC5OC(CO)C(O)C(O)C5O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O07 compound treatment -0.449 -0.104 -0.1 -0.097 0.261 0.24 0.02 0.27308243902439 0.34237374430124 0.2773 0.6428 3554487 ACon1_001883 CN1C(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O08 compound treatment -0.461 -0.116 -0.12 -0.363 -0.00539 0.0 -0.422 -0.16891756097561 -0.211778311472776 -0.1917 -0.7949 3615867 ACon1_001884 CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc3ccoc3)[C@]4(CCC[C@@]5(C)C14)COC5=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O09 compound treatment -0.427 -0.0819 -0.08 0.226 0.584 0.54 0.248 0.50108243902439 0.628225935967474 0.6277 0.7538 3615872 ACon1_001885 COC(=O)c1cccc(OC(C)C(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O10 compound treatment 2.995 3.34 1.72 1.771 2.13 1.44 2.533 2.78608243902439 2.03049205276146 2.9974 0.9905 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O11 mock treatment 0.219 0.564 0.56 0.036 0.394 0.36 0.021 0.27408243902439 0.343627481983987 0.7326 0.9743 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O12 mock treatment 0.03 0.375 0.37 0.216 0.574 0.53 -0.281 -0.02791756097561 -0.0350012982054994 0.5017 0.772 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O13 compound treatment -0.026 0.319 0.32 -0.372 -0.0144 -0.01 -0.53 -0.27691756097561 -0.347181981209413 -0.025 -0.0531 3615884 ACon1_001887 CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O14 compound treatment -0.678 -0.333 -0.33 -0.367 -0.00939 -0.01 0.442 0.69508243902439 0.871451046420323 0.307 0.3293 3615887 ACon1_001888 CC(C)(O)C(O)Cc1cc(O)ccc1OC2OC(CO)C(O)C(O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O15 compound treatment -0.308 0.0371 0.04 -0.175 0.183 0.17 -0.015 0.23808243902439 0.298492925405107 0.2912 0.8441 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O16 compound treatment 0.942 1.29 1.28 0.534 0.892 0.83 0.203 0.45608243902439 0.571807740243875 1.5455 0.9502 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O17 compound treatment -0.009 0.336 0.33 0.045 0.403 0.37 0.098 0.35108243902439 0.440165283555478 0.6623 0.9935 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O18 compound treatment -0.125 0.22 0.22 -0.458 -0.1 -0.09 -0.118 0.13508243902439 0.169357944082203 0.1704 0.5839 3615900 ACon1_001892 COC(=O)c1cc2cc(O)c(c(O)c2c(=O)o1)c3c(O)cc4cc(oc(=O)c4c3O)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O19 compound treatment -0.03 0.315 0.31 -0.315 0.0426 0.04 -0.242 0.01108243902439 0.0138944714216197 0.2116 0.6697 3615903 ACon1_001893 CC(=O)NC(CSC(CO)CCCCCCCCCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O20 compound treatment -0.529 -0.184 -0.18 -0.472 -0.114 -0.11 -0.314 -0.06091756097561 -0.0763746417361386 -0.2108 -0.9382 3559173 ACon1_001894 COc1cc(OC)c(cc1OC)C(O)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O21 compound treatment 0.878 1.22 1.22 0.73 1.09 1.01 0.631 0.88408243902439 1.10840746845944 1.9234 0.9971 3615908 ACon1_001895 Cn/1c(=O)\c(=C\c2ccccc2)\n(C)c(=O)\c1=C\c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O22 compound treatment 0.852 1.2 1.19 -0.214 0.144 0.13 0.379 0.63208243902439 0.792465572407285 1.2214 0.8506 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O23 compound treatment 0.442 0.787 0.78 0.054 0.412 0.38 0.115 0.36808243902439 0.461478824162171 0.9382 0.9524 3615916 ACon1_001897 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 O24 compound treatment 0.204 0.549 0.55 0.212 0.57 0.53 0.027 0.28008243902439 0.351149908080466 0.8224 0.9833 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P01 compound treatment -0.639 -0.294 -0.29 -0.107 0.251 0.23 -0.148 0.10508243902439 0.131745813599804 0.0413 0.1044 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P02 compound treatment 0.158 0.503 0.5 0.696 1.05 0.98 0.459 0.71208243902439 0.892764587027016 1.3674 0.9672 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P03 compound treatment 1.825 2.17 1.55 1.012 1.37 1.26 0.956 1.20908243902439 1.5158722153521 2.4988 0.996 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P04 compound treatment 0.61 0.955 0.95 -0.144 0.214 0.2 -0.182 0.07108243902439 0.0891187323864182 0.7138 0.7329 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P05 compound treatment 0.752 1.1 1.09 0.804 1.16 1.08 -0.014 0.23908243902439 0.299746663087854 1.4237 0.9122 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P06 compound treatment -0.254 0.0911 0.09 -0.479 -0.121 -0.11 -0.44 -0.18691756097561 -0.234345589762216 -0.1479 -0.5375 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P07 compound treatment -0.519 -0.174 -0.17 -0.433 -0.0754 -0.07 -0.328 -0.07491756097561 -0.0939269692945916 -0.1944 -0.9309 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P08 compound treatment -1.11 -0.765 -0.76 -0.306 0.0516 0.05 -0.781 -0.52791756097561 -0.661870139578821 -0.7936 -0.7863 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P09 compound treatment -0.658 -0.313 -0.31 -0.772 -0.414 -0.38 -0.797 -0.54391756097561 -0.681929942502767 -0.7949 -0.944 3615955 ACon1_001907 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P10 compound treatment 8.329 8.67 1.99 6.265 6.62 1.8 3.949 4.20208243902439 2.22390062610837 3.4729 0.9963 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P11 mock treatment 0.016 0.361 0.36 -0.077 0.281 0.26 -0.012 0.24108243902439 0.302254138453347 0.5318 0.9914 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P12 mock treatment -0.413 -0.0679 -0.07 -0.288 0.0696 0.06 -0.34 -0.08691756097561 -0.108971821487551 -0.0647 -0.4509 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P13 compound treatment 2.224 2.57 1.62 0.092 0.45 0.42 0.302 0.55508243902439 0.695927770835793 1.5772 0.8708 3615961 ACon1_001909 COc1ccc(cc1O)C(C)C(=O)c2ccc(O)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P14 compound treatment -0.109 0.236 0.23 0.282 0.64 0.59 0.201 0.45408243902439 0.569300264878382 0.8061 0.9435 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P15 compound treatment 3.101 3.45 1.73 0.541 0.899 0.83 0.717 0.97008243902439 1.21622890917565 2.1806 0.96 3559257 ACon1_001911 OC1(OCC2C(OCC21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P16 compound treatment 0.089 0.434 0.43 -0.13 0.228 0.21 -0.017 0.23608243902439 0.295985450039614 0.5417 0.9603 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P17 compound treatment 0.237 0.582 0.58 -0.123 0.235 0.22 -0.118 0.13508243902439 0.169357944082203 0.5573 0.8696 2116652 ACon1_001913 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)cc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P18 compound treatment -0.964 -0.619 -0.62 -1.112 -0.754 -0.7 -0.824 -0.57091756097561 -0.715780859936926 -1.1718 -0.9979 3615976 ACon1_001914 CC1OC(CC(O)C1O)c2cc3oc(cc(=O)c3c(O)c2O)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P19 compound treatment 2.959 3.3 1.71 1.595 1.95 1.41 1.102 1.35508243902439 1.61977030283804 2.7384 0.9968 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P20 compound treatment 0.184 0.529 0.53 0.34 0.698 0.65 -0.164 0.08908243902439 0.111686010675858 0.7411 0.8818 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P21 compound treatment 1.191 1.54 1.4 0.674 1.03 0.96 0.699 0.95208243902439 1.19366163088621 2.0485 0.9884 3615991 ACon1_001917 C/C=C/c1ccc(O)cc1C(=O)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P22 compound treatment 4.708 5.05 1.85 2.187 2.54 1.51 1.487 1.74008243902439 1.77108173183678 2.9639 0.9964 3615996 ACon1_001918 CC1=C2CC(CCC2(C)CCC1=O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P23 compound treatment 3.192 3.54 1.74 0.223 0.581 0.54 0.83 1.08308243902439 1.35790126732602 2.0976 0.9241 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2295 P24 compound treatment -0.54 -0.195 -0.19 -0.027 0.331 0.31 -0.184 0.06908243902439 0.0866112570209249 0.1149 0.3083 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A01 compound treatment 0.25 0.595 0.59 -0.783 -0.425 -0.39 -0.359 -0.10591756097561 -0.132792837459737 0.0375 0.0518 3616000 ACon1_001921 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5cc(OC)ccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A02 compound treatment 0.261 0.606 0.6 0.193 0.551 0.51 0.321 0.57408243902439 0.719748786807979 1.0578 0.9903 3616002 ACon1_001922 C/C(=C\CC(C)(C)\C=C\Cc1ccoc1)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A03 compound treatment -0.157 0.188 0.19 -1.045 -0.687 -0.64 -0.557 -0.30391756097561 -0.381032898643573 -0.4795 -0.6268 3553562 ACon1_001923 CC(C)C1C(O)C2C(CCC(=O)C)C2(C)CC1OC(=O)/C=C/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A04 compound treatment 0.474 0.819 0.81 0.447 0.805 0.75 0.329 0.58208243902439 0.729778688269952 1.3216 0.9988 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A05 compound treatment 1.089 1.43 1.37 1.407 1.76 1.37 1.553 1.80608243902439 1.79291203880853 2.6147 0.9913 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A06 compound treatment 0.099 0.444 0.44 0.022 0.38 0.35 0.112 0.36508243902439 0.457717611113931 0.7221 0.9938 3616012 ACon1_001926 COc1c(C2OCC(O)C(O)C2O)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(C)C(O)C(O)C5O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A07 compound treatment 6.069 6.41 1.92 3.911 4.27 1.68 3.757 4.01008243902439 2.20350852313066 3.3503 0.994 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A08 compound treatment 0.35 0.695 0.69 0.111 0.469 0.43 0.038 0.29108243902439 0.364941022590679 0.8602 0.9623 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A09 compound treatment -0.029 0.316 0.31 -0.181 0.177 0.16 -0.218 0.03508243902439 0.0439841758075391 0.3012 0.8439 3616025 ACon1_001929 CC1CC(=O)C2C34OC4(C(O)CC2(O)C1)C(O)c5c(O)cccc5C3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A10 compound treatment -0.365 -0.0199 -0.02 -0.588 -0.23 -0.21 -0.139 0.11408243902439 0.143029452744524 -0.052 -0.202 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A11 compound treatment -0.293 0.0521 0.05 -0.111 0.247 0.23 -0.211 0.04208243902439 0.0527603395867656 0.1922 0.8007 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A12 compound treatment -0.225 0.12 0.12 0.125 0.483 0.45 -0.119 0.13408243902439 0.168104206399457 0.424 0.8615 3616033 ACon1_001932 OCC1OC(C(O)C(O)C1O)c2c(O)cc3occc(=O)c3c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A13 mock treatment 1.514 1.86 1.49 -0.557 -0.199 -0.18 -0.282 -0.02891756097561 -0.036255035888246 0.7299 0.4876 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A14 mock treatment -0.301 0.0441 0.04 -0.037 0.321 0.3 -0.287 -0.03391756097561 -0.0425237243019792 0.1721 0.568 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A15 compound treatment -0.094 0.251 0.25 -0.623 -0.265 -0.25 -0.409 -0.15591756097561 -0.19547972159707 -0.1106 -0.2758 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A16 compound treatment 1.291 1.64 1.43 3.417 3.77 1.64 1.685 1.93808243902439 1.83371016027942 2.8321 0.9949 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A17 compound treatment 0.985 1.33 1.32 0.887 1.24 1.15 0.964 1.21708243902439 1.52590211681407 2.3098 0.9935 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A18 compound treatment 0.163 0.508 0.51 0.045 0.403 0.37 0.086 0.33908243902439 0.425120431362518 0.7523 0.9922 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A19 compound treatment 1.554 1.9 1.49 1.162 1.52 1.31 0.476 0.72908243902439 0.914078127633709 2.1444 0.9815 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A20 compound treatment 0.435 0.78 0.78 0.008 0.366 0.34 0.159 0.41208243902439 0.516643282203023 0.9415 0.9496 3559850 ACon1_001938 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A21 compound treatment 0.022 0.367 0.36 -0.382 -0.0244 -0.02 -0.12 0.13308243902439 0.16685046871671 0.294 0.7315 599 ACon1_001939 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A22 compound treatment -0.06 0.285 0.28 -0.288 0.0696 0.06 -0.257 -0.00391756097561002 -0.00491159381957999 0.198 0.6812 3554279 ACon1_001940 CCCCCCC(C(=O)O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A23 compound treatment 0.508 0.853 0.85 1.271 1.63 1.34 1.07 1.32308243902439 1.60494585771267 2.1871 0.9706 3616064 ACon1_001941 COc1cc(oc(=O)c1C)/C(=C/C(C)(O)C(C)O)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 A24 compound treatment 0.493 0.838 0.83 0.342 0.7 0.65 0.178 0.43108243902439 0.540464298175209 1.1671 0.9843 1099693 ACon1_001942 CC(C)(O)C(O)COc1c2occc2cc3ccc(=O)oc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B01 compound treatment 0.598 0.943 0.94 0.139 0.497 0.46 0.335 0.58808243902439 0.737301114366432 1.2325 0.9641 3498385 ACon1_001943 COC(=O)C1C(O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B02 compound treatment 0.738 1.08 1.08 -1.026 -0.668 -0.62 -0.473 -0.21991756097561 -0.275718933292855 0.1052 0.0827 3554822 ACon1_001944 COc1cc(=O)oc(C(C)C(C)O)c1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B03 compound treatment 0.116 0.461 0.46 0.265 0.623 0.58 0.057 0.31008243902439 0.388762038562866 0.8219 0.9869 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B04 compound treatment 0.044 0.389 0.39 0.555 0.913 0.85 0.03 0.28308243902439 0.354911121128706 0.9161 0.9209 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B05 compound treatment 0.164 0.509 0.51 -0.241 0.117 0.11 -0.133 0.12008243902439 0.150551878841004 0.4415 0.8191 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B06 compound treatment 0.627 0.972 0.97 0.344 0.702 0.65 1.676 1.92908243902439 1.83104161331013 1.9902 0.9172 3553933 ACon1_001948 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B07 compound treatment 1.261 1.61 1.42 1.006 1.36 1.26 1.186 1.43908243902439 1.65682808522242 2.5031 0.9937 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B08 compound treatment -0.459 -0.114 -0.11 -0.902 -0.544 -0.5 -0.412 -0.15891756097561 -0.19924093464531 -0.4715 -0.8514 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B09 compound treatment 0.098 0.443 0.44 0.124 0.482 0.45 0.062 0.31508243902439 0.395030726976599 0.7398 0.9986 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B10 compound treatment -0.225 0.12 0.12 -0.949 -0.591 -0.55 -0.396 -0.14291756097561 -0.179181131721363 -0.3507 -0.596 1011613 ACon1_001952 Oc1cc(=O)oc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B11 compound treatment 0.526 0.871 0.87 -0.114 0.244 0.23 0.263 0.51608243902439 0.647032001208674 1.0038 0.909 2095401 ACon1_001953 CC(=CCCC1(C)Oc2c(C)cc3c4ccc(O)cc4[nH]c3c2C=C1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B12 compound treatment 0.658 1.0 1.0 0.547 0.905 0.84 0.57 0.82308243902439 1.03192946981189 1.6551 0.9961 3558299 ACon1_001954 OCCCc1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B13 mock treatment -0.004 0.341 0.34 0.054 0.412 0.38 1.469 1.72208243902439 1.76494874558306 1.4348 0.781 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B14 mock treatment -0.308 0.0371 0.04 -0.192 0.166 0.15 -0.308 -0.05491756097561 -0.0688522156396587 0.0701 0.4071 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B15 compound treatment 0.118 0.463 0.46 -0.029 0.329 0.3 0.198 0.45108243902439 0.565539051830142 0.768 0.9719 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B16 compound treatment 0.053 0.398 0.4 -0.022 0.336 0.31 -0.364 -0.11091756097561 -0.139061525873471 0.3276 0.6276 3011353 ACon1_001956 Oc1ccccc1C(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B17 compound treatment 0.825 1.17 1.16 0.439 0.797 0.74 0.615 0.86808243902439 1.08834766553549 1.7258 0.9831 909 ACon1_001957 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B18 compound treatment 0.031 0.376 0.37 -0.26 0.0976 0.09 0.157 0.41008243902439 0.51413580683753 0.5649 0.8797 1020611 ACon1_001958 Oc1cccc2oc(cc(=O)c12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B19 compound treatment 0.336 0.681 0.68 0.027 0.385 0.36 0.268 0.52108243902439 0.653300689622407 0.9737 0.9679 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B20 compound treatment 0.024 0.369 0.37 -0.253 0.105 0.1 -0.347 -0.09391756097561 -0.117747985266778 0.1998 0.5028 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B21 compound treatment 0.16 0.505 0.5 0.039 0.397 0.37 0.018 0.27108243902439 0.339866268935747 0.6981 0.9849 3557523 ACon1_001961 C/C/1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B22 compound treatment -0.103 0.242 0.24 -0.409 -0.0514 -0.05 -0.099 0.15408243902439 0.19317896005439 0.223 0.7142 3177322 ACon1_001962 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B23 compound treatment 0.121 0.466 0.46 0.09 0.448 0.41 -0.028 0.22508243902439 0.282194335529401 0.6697 0.981 3054971 ACon1_001963 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 B24 compound treatment 0.011 0.356 0.35 -0.188 0.17 0.16 -0.045 0.20808243902439 0.260880794922708 0.4457 0.9544 3557449 ACon1_001964 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C01 compound treatment 1.23 1.58 1.41 0.443 0.801 0.74 -0.218 0.03508243902439 0.0439841758075391 1.2679 0.7953 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C02 compound treatment 0.545 0.89 0.88 0.042 0.4 0.37 0.654 0.90708243902439 1.13724343516261 1.3811 0.9283 1034726 ACon1_001966 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C03 compound treatment -0.226 0.119 0.12 -0.436 -0.0784 -0.07 -0.179 0.07408243902439 0.0928799454346581 0.0801 0.4792 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C04 compound treatment 0.298 0.643 0.64 -0.229 0.129 0.12 -0.128 0.12508243902439 0.156820567254737 0.5284 0.7899 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C05 compound treatment 0.143 0.488 0.49 0.061 0.419 0.39 -0.005 0.24808243902439 0.311030302232574 0.6835 0.9841 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C06 compound treatment 1.34 1.69 1.44 1.064 1.42 1.28 1.316 1.56908243902439 1.70941692448462 2.5565 0.9928 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C07 compound treatment 1.901 2.25 1.57 0.896 1.25 1.16 0.828 1.08108243902439 1.35539379196053 2.3565 0.9927 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C08 compound treatment -0.377 -0.0319 -0.03 -0.39 -0.0324 -0.03 -0.346 -0.09291756097561 -0.116494247584031 -0.1029 -0.8271 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C09 compound treatment -0.194 0.151 0.15 -0.113 0.245 0.23 -0.351 -0.09791756097561 -0.122762935997764 0.1466 0.4916 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C10 compound treatment -0.302 0.0431 0.04 0.0 0.358 0.33 0.112 0.36508243902439 0.457717611113931 0.4802 0.8475 1076495 ACon1_001974 CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C11 mock treatment -0.27 0.0751 0.07 -0.287 0.0706 0.07 -0.297 -0.04391756097561 -0.0550611011294457 0.049 0.4322 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C12 mock treatment -0.014 0.331 0.33 -0.095 0.263 0.24 -0.022 0.23108243902439 0.289716761625881 0.4977 0.9926 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C13 compound treatment 0.161 0.506 0.5 -0.895 -0.537 -0.5 -0.778 -0.52491756097561 -0.658108926530581 -0.3768 -0.3899 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C14 compound treatment 0.152 0.497 0.49 -0.036 0.322 0.3 -0.277 -0.02391756097561 -0.0299863474745129 0.4399 0.7615 3616150 ACon1_001976 CCCCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C15 mock treatment -0.196 0.149 0.15 -0.097 0.261 0.24 0.345 0.59808243902439 0.749838491193899 0.6578 0.8207 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C16 mock treatment 0.236 0.581 0.58 0.574 0.932 0.86 -0.015 0.23808243902439 0.298492925405107 1.0039 0.9293 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C17 compound treatment 0.0 0.345 0.34 0.256 0.614 0.57 -0.152 0.10108243902439 0.126730862868817 0.5993 0.8869 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C18 compound treatment 0.062 0.407 0.4 0.445 0.803 0.74 0.566 0.81908243902439 1.02691451908091 1.2556 0.9436 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C19 compound treatment 3.042 3.39 1.72 2.359 2.72 1.53 1.46 1.71308243902439 1.76185241230359 2.8974 0.9982 1147 ACon1_001979 COc1c2ccoc2cc3oc(=O)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C20 compound treatment -0.43 -0.0849 -0.08 -0.355 0.00261 0.0 -0.259 -0.00591756097561003 -0.00741906918507327 -0.0516 -0.609 3558157 ACon1_001980 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C21 compound treatment 4.245 4.59 1.82 3.25 3.61 1.63 1.463 1.71608243902439 1.762886754156 3.011 0.9989 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C22 compound treatment -0.419 -0.0739 -0.07 -0.677 -0.319 -0.3 -0.444 -0.19091756097561 -0.239360540493202 -0.3514 -0.9068 3558367 ACon1_001982 C[C@@H]1C[C@H]2OC[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C23 compound treatment -0.71 -0.365 -0.36 -0.746 -0.388 -0.36 -0.542 -0.28891756097561 -0.362226833402373 -0.6262 -1.0 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 C24 compound treatment 0.179 0.524 0.52 -0.354 0.00361 0.0 -0.217 0.03608243902439 0.0452379134902857 0.3289 0.6288 3557295 ACon1_001984 C/C=C/C1=CC(=O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D01 compound treatment 0.983 1.33 1.32 1.384 1.74 1.36 0.056 0.30908243902439 0.387508300880119 1.773 0.9154 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D02 compound treatment 0.254 0.599 0.6 0.02 0.378 0.35 0.086 0.33908243902439 0.425120431362518 0.7912 0.9756 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D03 compound treatment 0.423 0.768 0.76 -0.25 0.108 0.1 -0.38 -0.12691756097561 -0.159121328797417 0.4065 0.517 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D04 compound treatment -0.547 -0.202 -0.2 -0.314 0.0436 0.04 -0.055 0.19808243902439 0.248343418095242 0.0508 0.1578 3559657 ACon1_001988 COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D05 compound treatment 1.161 1.51 1.39 0.531 0.889 0.82 0.378 0.63108243902439 0.791211834724538 1.7345 0.9642 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D06 compound treatment 0.938 1.28 1.28 0.325 0.683 0.63 0.625 0.87808243902439 1.10088504236296 1.737 0.9652 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D07 compound treatment 2.202 2.55 1.62 1.013 1.37 1.26 0.707 0.96008243902439 1.20369153234818 2.3562 0.9911 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D08 compound treatment 0.025 0.37 0.37 -0.079 0.279 0.26 -0.09 0.16308243902439 0.204462599199109 0.4794 0.9711 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D09 compound treatment 0.663 1.01 1.0 0.226 0.584 0.54 0.155 0.40808243902439 0.511628331472037 1.186 0.9501 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D10 compound treatment 1.426 1.77 1.46 1.477 1.83 1.38 1.217 1.47008243902439 1.66986794987503 2.6084 0.9968 3554007 ACon1_001994 CC1CC2C=CC3COC(=O)C3(C)C2CC1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D11 mock treatment 2.177 2.52 1.61 0.419 0.777 0.72 0.876 1.12908243902439 1.41557320073237 2.1633 0.956 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D12 mock treatment 0.034 0.379 0.38 -0.07 0.288 0.27 -0.058 0.19508243902439 0.244582205047002 0.5125 0.9814 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D13 compound treatment 0.195 0.54 0.54 -0.259 0.0986 0.09 0.059 0.31208243902439 0.391269513928359 0.5886 0.8777 3559637 ACon1_001995 COC(=O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D14 compound treatment 0.405 0.75 0.75 0.705 1.06 0.98 0.064 0.31708243902439 0.397538202342092 1.2281 0.9469 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D15 mock treatment -0.131 0.214 0.21 0.322 0.68 0.63 0.188 0.44108243902439 0.553001675002676 0.8055 0.9319 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D16 mock treatment -0.273 0.0721 0.07 -0.176 0.182 0.17 -0.563 -0.30991756097561 -0.388555324740052 -0.0859 -0.2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D17 compound treatment 0.72 1.07 1.06 0.303 0.661 0.61 0.502 0.75508243902439 0.946675307385122 1.5111 0.9771 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D18 compound treatment 0.634 0.979 0.97 0.735 1.09 1.01 0.737 0.99008243902439 1.24130366283058 1.8627 0.994 3559519 ACon1_001998 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(=O)O)[C@@]1(C)CCc3ccoc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D19 compound treatment -0.575 -0.23 -0.23 -1.158 -0.8 -0.74 -1.021 -0.76791756097561 -0.962767183438015 -1.1157 -0.9025 1054601 ACon1_001999 Cc1cc2c3ccccc3[nH]c2c4C=CC(C)(C)Oc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D20 compound treatment -0.135 0.21 0.21 -0.22 0.138 0.13 -0.133 0.12008243902439 0.150551878841004 0.2811 0.9784 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D21 compound treatment 0.922 1.27 1.26 0.664 1.02 0.95 1.239 1.49208243902439 1.67892608985871 2.2427 0.9742 3559469 ACon1_002001 CC1(C)CC2C1[C@@H](O)C/C(=C/CCC2=C)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D22 compound treatment 0.105 0.45 0.45 -0.17 0.188 0.17 -0.032 0.22108243902439 0.277179384798415 0.5187 0.9358 3557446 ACon1_002002 C[C@@]12C[C@H](O)C3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D23 compound treatment -0.036 0.309 0.31 -0.284 0.0736 0.07 -0.037 0.21608243902439 0.270910696384681 0.3732 0.8986 3559627 ACon1_002003 CCCCCCCCC#CCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 D24 compound treatment -0.344 0.00107 0.0 -0.318 0.0396 0.04 -0.245 0.00808243902438999 0.0101332583733797 0.0276 0.7261 3557443 ACon1_002004 C[C@@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E01 mock treatment -0.044 0.301 0.3 -0.751 -0.393 -0.36 -0.358 -0.10491756097561 -0.131539099776991 -0.1134 -0.2318 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E02 mock treatment 0.293 0.638 0.63 0.151 0.509 0.47 0.158 0.41108243902439 0.515389544520277 0.9357 0.9919 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E03 compound treatment -0.267 0.0781 0.08 -0.794 -0.436 -0.4 -0.451 -0.19791756097561 -0.248136704272429 -0.3317 -0.6904 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E04 compound treatment -0.23 0.115 0.11 -0.282 0.0756 0.07 0.132 0.38508243902439 0.482792364768864 0.3852 0.7688 3616208 ACon1_002006 OCC1OC(OC2OC=C(C(CC(=O)O)C2C=C)C(=O)O)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E05 compound treatment 0.657 1.0 1.0 0.683 1.04 0.96 0.43 0.68308243902439 0.856406194227363 1.6259 0.998 3616212 ACon1_002007 OC1C(O)C(COC(=O)/C=C/c2ccc(O)cc2)OC(OC(=O)/C=C/c3ccc(O)c(O)c3)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E06 compound treatment 0.138 0.483 0.48 0.51 0.868 0.8 0.333 0.58608243902439 0.734793639000939 1.1653 0.9793 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E07 compound treatment 0.487 0.832 0.83 -0.229 0.129 0.12 -0.18 0.07308243902439 0.0916262077519115 0.5992 0.7128 3555029 ACon1_002009 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E08 compound treatment 0.032 0.377 0.37 -0.242 0.116 0.11 -0.181 0.07208243902439 0.0903724700691648 0.3304 0.8256 3616218 ACon1_002010 CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(oc3c2)c5ccc(O)cc5)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E09 mock treatment -0.08 0.265 0.26 -0.088 0.27 0.25 -0.015 0.23808243902439 0.298492925405107 0.4686 0.9971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E10 mock treatment 0.099 0.444 0.44 0.25 0.608 0.56 0.102 0.35508243902439 0.445180234286465 0.8367 0.9933 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E11 compound treatment 0.025 0.37 0.37 -0.212 0.146 0.13 -0.052 0.20108243902439 0.252104631143482 0.4358 0.9353 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E12 compound treatment -0.047 0.298 0.3 0.183 0.541 0.5 -0.095 0.15808243902439 0.198193910785376 0.5745 0.9349 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E13 compound treatment 0.273 0.618 0.61 -0.893 -0.535 -0.5 -0.333 -0.07991756097561 -0.100195657708325 0.0107 0.0134 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E14 compound treatment 0.149 0.494 0.49 -0.562 -0.204 -0.19 -0.155 0.09808243902439 0.122969649820578 0.2453 0.4538 3614428 ACon1_002014 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E15 compound treatment 0.081 0.426 0.42 -0.208 0.15 0.14 -0.103 0.15008243902439 0.188164009323403 0.4332 0.8954 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E16 compound treatment -0.035 0.31 0.31 0.706 1.06 0.98 -0.041 0.21208243902439 0.265895745653695 0.9001 0.8446 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E17 mock treatment -0.282 0.0631 0.06 -0.103 0.255 0.24 -0.341 -0.08791756097561 -0.110225559170298 0.1087 0.406 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E18 mock treatment -0.028 0.317 0.32 0.114 0.472 0.44 0.272 0.52508243902439 0.658315640353394 0.8142 0.9573 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E19 compound treatment -0.085 0.26 0.26 -0.427 -0.0694 -0.06 -0.386 -0.13291756097561 -0.166643754893897 0.016 0.0508 3616250 ACon1_002017 COc1cc(cc(O)c1OC)c2cc(O)c(OC)c(OC)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E20 compound treatment 0.483 0.828 0.82 0.353 0.711 0.66 0.285 0.53808243902439 0.6746142302291 1.2447 0.9947 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E21 compound treatment -0.283 0.0621 0.06 -0.648 -0.29 -0.27 -0.32 -0.06691756097561 -0.0838970678326185 -0.1681 -0.5828 3616255 ACon1_002019 CC[C@H]1C(=O)CC2C3CCC4C[C@@H](O)[C@]5(O)C[C@]4(CO5)C3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E22 compound treatment 0.716 1.06 1.05 0.597 0.955 0.88 0.48 0.73308243902439 0.919093078364695 1.65 0.997 3558178 ACon1_002020 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E23 compound treatment -0.071 0.274 0.27 -0.036 0.322 0.3 0.141 0.39408243902439 0.494076003913584 0.6145 0.9632 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 E24 compound treatment -0.192 0.153 0.15 -0.566 -0.208 -0.19 0.0 0.25308243902439 0.317298990646307 0.1596 0.3978 3616265 ACon1_002022 CC(C)c1cc(O)c(C)c(c1O)c2c(C)c(O)cc(C(C)C)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F01 mock treatment 0.21 0.555 0.55 0.07 0.428 0.4 0.514 0.76708243902439 0.961720159578081 1.1024 0.9364 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F02 mock treatment 0.099 0.444 0.44 0.0 0.358 0.33 0.096 0.34908243902439 0.437657808189985 0.6987 0.9921 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F03 compound treatment 0.491 0.836 0.83 0.577 0.935 0.87 0.301 0.55408243902439 0.694674033153046 1.3806 0.9957 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F04 compound treatment 0.394 0.739 0.73 1.142 1.5 1.3 0.552 0.80508243902439 1.00936219152245 1.7576 0.9751 3559767 ACon1_002024 COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F05 compound treatment 1.359 1.7 1.45 2.494 2.85 1.55 1.919 2.17208243902439 1.89797060138549 2.8265 0.9931 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F06 compound treatment 0.494 0.839 0.83 -0.219 0.139 0.13 -0.734 -0.48091756097561 -0.602944468489728 0.2076 0.2001 1020610 ACon1_002026 Oc1ccc2oc(cc(=O)c2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F07 compound treatment 5.048 5.39 1.87 4.231 4.59 1.7 2.343 2.59608243902439 1.99403229807902 3.2139 0.9979 3616280 ACon1_002027 CC(=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F08 compound treatment 0.024 0.369 0.37 -0.841 -0.483 -0.45 -0.069 0.18408243902439 0.230791090536789 0.0867 0.1391 3616283 ACon1_002028 CCCCOC(=O)C(N)CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F09 mock treatment 0.265 0.61 0.61 -0.002 0.356 0.33 -0.131 0.12208243902439 0.153059354206497 0.6286 0.8893 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F10 mock treatment 0.293 0.638 0.63 -0.425 -0.0674 -0.06 -0.178 0.07508243902439 0.0941336831174048 0.3846 0.5968 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F11 compound treatment 0.405 0.75 0.75 0.275 0.633 0.59 0.246 0.49908243902439 0.625718460601981 1.13 0.9946 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F12 compound treatment -0.425 -0.0799 -0.08 -0.395 -0.0374 -0.03 -0.21 0.04308243902439 0.0540140772695122 -0.0347 -0.3396 3553842 ACon1_002030 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F13 compound treatment -0.337 0.00807 0.01 -0.929 -0.571 -0.53 -0.875 -0.62191756097561 -0.779721481757005 -0.751 -0.797 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F14 compound treatment 0.345 0.69 0.69 -0.358 -3.9E-4 0.0 -0.139 0.11408243902439 0.143029452744524 0.4785 0.6827 3558542 ACon1_002032 COc1cc(/C=C/CO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F15 compound treatment -0.034 0.311 0.31 -0.153 0.205 0.19 0.311 0.56408243902439 0.707211409980513 0.6962 0.876 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F16 compound treatment -0.162 0.183 0.18 -0.459 -0.101 -0.09 -0.101 0.15208243902439 0.190671484688896 0.161 0.5752 3559439 ACon1_002034 C/C=C(/C)\C(=O)OC1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F17 mock treatment 0.108 0.453 0.45 -0.298 0.0596 0.06 -0.131 0.12208243902439 0.153059354206497 0.3803 0.7941 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F18 mock treatment 0.047 0.392 0.39 -0.268 0.0896 0.08 -0.429 -0.17591756097561 -0.220554475252002 0.1456 0.3197 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F19 compound treatment 1.327 1.67 1.44 1.275 1.63 1.34 0.715 0.96808243902439 1.21372143381016 2.3024 0.9976 3559364 ACon1_002035 COc1cc2[nH]c3ccccc3c2cc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F20 compound treatment 0.102 0.447 0.44 -0.157 0.201 0.19 0.05 0.30308243902439 0.379985874783639 0.5832 0.9506 1308020 ACon1_002036 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F21 compound treatment 0.263 0.608 0.6 0.443 0.801 0.74 1.646 1.89908243902439 1.82203084134639 1.829 0.8888 1112402 ACon1_002037 COc1ccc2ccc(=O)oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F22 compound treatment 0.151 0.496 0.49 -0.507 -0.149 -0.14 -0.152 0.10108243902439 0.126730862868817 0.278 0.5269 3557454 ACon1_002038 C[C@@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F23 compound treatment -0.14 0.205 0.2 0.008 0.366 0.34 0.06 0.31308243902439 0.392523251611106 0.5398 0.9691 3559628 ACon1_002039 CCCCCCCCC#CCCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 F24 compound treatment -0.016 0.329 0.33 -0.126 0.232 0.21 -0.213 0.04008243902439 0.0502528642212723 0.3417 0.8664 3557444 ACon1_002040 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G01 compound treatment 0.774 1.12 1.11 0.336 0.694 0.64 0.474 0.72708243902439 0.911570652268216 1.5394 0.9773 3616293 ACon1_002041 CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C(=O)Nc4cccc(O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G02 compound treatment -0.013 0.332 0.33 -0.183 0.175 0.16 -0.359 -0.10591756097561 -0.132792837459737 0.2073 0.5303 3558908 ACon1_002042 CC1(C)CCC[C@@]2(C)C1CC(=O)c3cc(O)c(O)cc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G03 mock treatment -0.065 0.28 0.28 0.017 0.375 0.35 -0.082 0.17108243902439 0.214492500661082 0.4849 0.9819 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G04 mock treatment 0.327 0.672 0.67 -0.015 0.343 0.32 -0.102 0.15108243902439 0.18941774700615 0.6783 0.8884 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G05 compound treatment 0.379 0.724 0.72 0.021 0.379 0.35 0.159 0.41208243902439 0.516643282203023 0.9163 0.9616 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G06 compound treatment -0.055 0.29 0.29 -0.472 -0.114 -0.11 -0.236 0.01708243902439 0.0214168975180995 0.1177 0.3822 3616299 ACon1_002044 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G07 compound treatment 0.013 0.358 0.36 -0.041 0.317 0.29 0.276 0.52908243902439 0.66333059108438 0.7578 0.938 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G08 compound treatment -0.453 -0.108 -0.11 0.189 0.547 0.51 -0.099 0.15408243902439 0.19317896005439 0.3418 0.6189 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G09 compound treatment 4.518 4.86 1.84 2.835 3.19 1.59 2.231 2.48408243902439 1.97080316217223 3.1183 0.9962 3553481 ACon1_002047 CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G10 compound treatment -0.625 -0.28 -0.28 -0.358 -3.9E-4 0.0 -0.013 0.24008243902439 0.301000400770601 0.0129 0.0315 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G11 compound treatment -0.475 -0.13 -0.13 0.057 0.415 0.38 -0.086 0.16708243902439 0.209477549930096 0.268 0.5877 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G12 compound treatment -0.067 0.278 0.28 -0.333 0.0246 0.02 -0.029 0.22408243902439 0.280940597846654 0.335 0.8484 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G13 compound treatment 0.151 0.496 0.49 0.447 0.805 0.75 0.788 1.04108243902439 1.30524428465066 1.4685 0.9284 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G14 compound treatment 1.499 1.84 1.48 1.874 2.23 1.46 0.608 0.86108243902439 1.07957150175627 2.3225 0.9906 3616319 ACon1_002052 C/C=C\C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)\C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G15 compound treatment -0.216 0.129 0.13 -0.352 0.00561 0.01 -0.21 0.04308243902439 0.0540140772695122 0.1083 0.7771 3616320 ACon1_002053 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G16 compound treatment 0.878 1.22 1.22 0.302 0.66 0.61 0.116 0.36908243902439 0.462732561844918 1.3218 0.9197 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G17 compound treatment -0.132 0.213 0.21 -0.291 0.0666 0.06 0.326 0.57908243902439 0.726017475221713 0.5771 0.7605 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G18 compound treatment 0.238 0.583 0.58 -0.015 0.343 0.32 -0.211 0.04208243902439 0.0527603395867656 0.5483 0.8271 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G19 mock treatment 0.169 0.514 0.51 -0.067 0.291 0.27 0.208 0.46108243902439 0.578076428657609 0.7842 0.9596 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G20 mock treatment -0.16 0.185 0.18 -0.381 -0.0234 -0.02 -0.428 -0.17491756097561 -0.219300737569256 -0.0329 -0.1146 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G21 compound treatment 0.361 0.706 0.7 0.026 0.384 0.36 0.405 0.65808243902439 0.825062752158697 1.0867 0.9532 3616329 ACon1_002057 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G22 compound treatment -0.606 -0.261 -0.26 -0.27 0.0876 0.08 -0.303 -0.04991756097561 -0.0625835272259255 -0.1391 -0.4986 3616332 ACon1_002058 OC1COC(OCC2OC(O[C@H](C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G23 compound treatment -0.352 -0.00693 -0.01 -0.428 -0.0704 -0.07 -0.264 -0.01091756097561 -0.0136877575988065 -0.0495 -0.7395 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 G24 compound treatment 0.45 0.795 0.79 0.866 1.22 1.13 0.043 0.29608243902439 0.371209711004413 1.3248 0.9261 3616341 ACon1_002060 COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H01 compound treatment 0.019 0.364 0.36 -0.489 -0.131 -0.12 -0.216 0.03708243902439 0.0464916511730324 0.1656 0.4304 3616345 ACon1_002061 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(O)OC4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H02 compound treatment 0.327 0.672 0.67 0.077 0.435 0.4 -0.162 0.09108243902439 0.114193486041351 0.684 0.8677 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H03 mock treatment 0.125 0.47 0.47 0.105 0.463 0.43 -0.151 0.10208243902439 0.127984600551564 0.591 0.9138 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H04 mock treatment -0.293 0.0521 0.05 -0.26 0.0976 0.09 0.377 0.63008243902439 0.789958097041791 0.5381 0.6754 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H05 compound treatment 1.05 1.4 1.35 0.93 1.29 1.19 0.786 1.03908243902439 1.30273680928517 2.2225 0.9986 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H06 compound treatment 0.254 0.599 0.6 -0.054 0.304 0.28 -0.016 0.23708243902439 0.297239187722361 0.6778 0.938 450 ACon1_002064 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H07 compound treatment 0.032 0.377 0.37 0.024 0.382 0.35 0.05 0.30308243902439 0.379985874783639 0.6398 0.9995 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H08 compound treatment 0.619 0.964 0.96 0.165 0.523 0.48 0.338 0.59108243902439 0.741062327414672 1.2606 0.9663 3551814 ACon1_002066 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H09 compound treatment 0.192 0.537 0.53 -0.489 -0.131 -0.12 0.29 0.54308243902439 0.680882918642833 0.6311 0.7223 3553447 ACon1_002067 CC(C)(C1CC[C@@]2(C)O[C@](C)(CCC2[C@@]1(C)CC(=O)O)C=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H10 compound treatment 1.045 1.39 1.35 0.054 0.412 0.38 0.357 0.61008243902439 0.764883343386858 1.4427 0.9016 3557584 ACon1_002068 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H11 compound treatment 0.483 0.828 0.82 0.057 0.415 0.38 0.14 0.39308243902439 0.492822266230837 0.9815 0.9497 2321 ACon1_002069 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H12 compound treatment -0.342 0.00307 0.0 -0.3 0.0576 0.05 -0.327 -0.07391756097561 -0.092673231611845 -0.0209 -0.1958 3553497 ACon1_002070 CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](O)[C@@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H13 compound treatment 0.47 0.815 0.81 0.51 0.868 0.8 0.1 0.35308243902439 0.442672758920971 1.1872 0.97 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H14 compound treatment 1.989 2.33 1.58 1.122 1.48 1.29 0.218 0.47108243902439 0.590613805485075 2.0012 0.9408 3559539 ACon1_002072 C[C@H]1CCC2OC32CC4(O)OC(=O)C(=C4[C@@H](OC(=O)C(=C)C)[C@]13C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H15 compound treatment -0.247 0.0981 0.1 -0.031 0.327 0.3 -0.312 -0.05891756097561 -0.0738671663706453 0.1882 0.577 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H16 compound treatment -0.85 -0.505 -0.5 -0.988 -0.63 -0.58 -0.564 -0.31091756097561 -0.389809062422799 -0.8519 -0.9872 3559651 ACon1_002074 COc1ccc2C(=O)/C(=C(\O)/c3ccccc3)/Oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H17 compound treatment 0.497 0.842 0.84 0.444 0.802 0.74 0.189 0.44208243902439 0.554255412685422 1.2319 0.9866 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H18 compound treatment -0.012 0.333 0.33 0.031 0.389 0.36 -0.118 0.13508243902439 0.169357944082203 0.4967 0.9598 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H19 mock treatment -0.396 -0.0509 -0.05 -0.218 0.14 0.13 -0.231 0.02208243902439 0.0276855859318327 0.0614 0.4336 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H20 mock treatment -0.127 0.218 0.22 -0.023 0.335 0.31 -0.173 0.08008243902439 0.100402371531138 0.362 0.9253 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H21 compound treatment 0.104 0.449 0.45 -0.175 0.183 0.17 -0.222 0.03108243902439 0.0389692250765525 0.3779 0.7889 3559433 ACon1_002077 CC#CCc1cc2ccccc2c(=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H22 compound treatment 0.189 0.534 0.53 0.042 0.4 0.37 0.361 0.61408243902439 0.769898294117845 0.9647 0.9591 3557447 ACon1_002078 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H23 compound treatment -0.171 0.174 0.17 -0.149 0.209 0.19 -0.007 0.24608243902439 0.308522826867081 0.3896 0.9665 3063892 ACon1_002079 COc1cc2ccc(=O)oc2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 H24 compound treatment -0.42 -0.0749 -0.07 -0.184 0.174 0.16 -0.358 -0.10491756097561 -0.131539099776991 -0.0261 -0.1185 3559653 ACon1_002080 O/C(=C\C(=O)/C=C/c1ccc(O)cc1)/C=C/c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I01 compound treatment 1.764 2.11 1.54 1.883 2.24 1.46 1.236 1.48908243902439 1.67770026458763 2.7021 0.9984 3616365 ACon1_002081 C[C@]1(CN2C3C4C(O)[C@H]5C(O)C6[C@]73CC(=O)C1)C7[C@@H]2C[C@@]46CC5=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I02 compound treatment -0.199 0.146 0.15 -1.33 -0.972 -0.9 -0.576 -0.32291756097561 -0.404853914615759 -0.6697 -0.6712 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I03 compound treatment -0.066 0.279 0.28 -0.694 -0.336 -0.31 -0.313 -0.05991756097561 -0.0751209040533919 -0.063 -0.1487 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I04 compound treatment -0.012 0.333 0.33 0.389 0.747 0.69 0.264 0.51708243902439 0.648285738891421 0.9646 0.9608 3559868 ACon1_002084 OC1C2NCCc3cc4OCOc4c(-c5ccccc15)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I05 mock treatment -0.437 -0.0919 -0.09 -0.65 -0.292 -0.27 -0.805 -0.55191756097561 -0.69195984396474 -0.6086 -0.8129 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I06 mock treatment -0.187 0.158 0.16 -0.067 0.291 0.27 -0.164 0.08908243902439 0.111686010675858 0.3106 0.9382 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I07 compound treatment 0.98 1.33 1.32 -0.306 0.0516 0.05 -0.286 -0.03291756097561 -0.0412699866192326 0.7643 0.5795 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I08 compound treatment -0.34 0.00507 0.01 -0.299 0.0586 0.05 -0.402 -0.14891756097561 -0.186703557817843 -0.0736 -0.3782 3616379 ACon1_002086 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I09 compound treatment -0.02 0.325 0.32 -0.321 0.0366 0.03 -0.182 0.07108243902439 0.0891187323864182 0.2576 0.7645 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I10 compound treatment 0.06 0.405 0.4 -0.341 0.0166 0.02 -0.388 -0.13491756097561 -0.16915123025939 0.1437 0.3288 3616383 ACon1_002088 CCCCCC(=O)Cc1cc(O)c(O)c2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I11 compound treatment -0.215 0.13 0.13 -0.415 -0.0574 -0.05 -0.184 0.06908243902439 0.0866112570209249 0.094 0.5715 3616384 ACon1_002089 OCC12OC2C(O)C3C=COC(OC4OC(COC(=O)/C=C/c5ccccc5)C(O)C(O)C4O)C31 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I12 compound treatment -0.246 0.0991 0.1 -0.271 0.0866 0.08 -0.319 -0.06591756097561 -0.0826433301498718 0.0554 0.3659 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I13 compound treatment 0.033 0.378 0.38 -0.705 -0.347 -0.32 -0.364 -0.11091756097561 -0.139061525873471 -0.049 -0.0953 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I14 compound treatment -0.1 0.245 0.24 -1.025 -0.667 -0.62 -0.52 -0.26691756097561 -0.334644604381947 -0.4093 -0.5503 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I15 compound treatment 0.084 0.429 0.43 -0.441 -0.0834 -0.08 -0.305 -0.05191756097561 -0.0650910025914188 0.1641 0.3744 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I16 compound treatment 0.178 0.523 0.52 0.085 0.443 0.41 0.278 0.53108243902439 0.665838066449874 0.9213 0.9811 959 ACon1_002094 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I17 compound treatment 0.097 0.442 0.44 -0.47 -0.112 -0.1 -0.594 -0.34091756097561 -0.427421192905198 -0.0531 -0.0854 3557761 ACon1_002095 OCC1OC(OCC2OC(NCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I18 compound treatment -0.056 0.289 0.29 -0.092 0.266 0.25 -0.241 0.01208243902439 0.0151482091043663 0.3167 0.8365 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I19 compound treatment 0.072 0.417 0.41 -0.422 -0.0644 -0.06 0.034 0.28708243902439 0.359926071859693 0.4128 0.7474 3616392 ACon1_002097 Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I20 compound treatment 5.098 5.44 1.87 2.94 3.3 1.6 2.658 2.91108243902439 2.05267812142066 3.1908 0.9949 3552073 ACon1_002098 C/C=C/C=C/C(=O)C1=C(O)C(=C(O)C(C)(O)C1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I21 mock treatment -0.139 0.206 0.2 -0.194 0.164 0.15 -0.129 0.12408243902439 0.15556682957199 0.2956 0.99 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I22 mock treatment -0.188 0.157 0.16 -0.332 0.0256 0.02 -0.329 -0.07591756097561 -0.0951807069773382 0.0489 0.2651 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I23 compound treatment 0.407 0.752 0.75 1.047 1.4 1.27 0.018 0.27108243902439 0.339866268935747 1.3622 0.8997 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 I24 compound treatment 1.611 1.96 1.51 0.981 1.34 1.24 0.74 0.99308243902439 1.24506487587882 2.3046 0.9956 3553755 ACon1_002100 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J01 compound treatment -0.064 0.281 0.28 -0.372 -0.0144 -0.01 -0.376 -0.12291756097561 -0.15410637806643 0.0647 0.2025 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J02 compound treatment 2.174 2.52 1.61 2.416 2.77 1.54 1.381 1.63408243902439 1.73378386691349 2.8215 0.9988 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J03 compound treatment -0.278 0.0671 0.07 -0.803 -0.445 -0.41 -0.265 -0.01191756097561 -0.0149414952815531 -0.2082 -0.4981 3616397 ACon1_002103 COc1cc(cc2cc(oc12)c3ccc4OCOc4c3)C(O)CCOC5OC(CO)C(O)C(O)C5O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J04 compound treatment 0.795 1.14 1.13 1.875 2.23 1.46 0.912 1.16508243902439 1.46070775731125 2.3417 0.9935 3559759 ACon1_002104 CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J05 mock treatment -0.074 0.271 0.27 -0.155 0.203 0.19 0.099 0.35208243902439 0.441419021238225 0.5188 0.9429 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J06 mock treatment -0.206 0.139 0.14 -0.199 0.159 0.15 0.323 0.57608243902439 0.722256262173473 0.5816 0.7756 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J07 compound treatment 1.01 1.36 1.34 1.269 1.63 1.33 1.266 1.51908243902439 1.6898280244958 2.5203 0.9936 3616398 ACon1_002105 Cc1cc2c(CO)cc(O)cc2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J08 compound treatment 0.593 0.938 0.93 -0.023 0.335 0.31 -0.052 0.20108243902439 0.252104631143482 0.8629 0.8505 1066 ACon1_002106 OC1OCC=C2OC(=O)C=C12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J09 compound treatment -0.064 0.281 0.28 -0.192 0.166 0.15 -0.216 0.03708243902439 0.0464916511730324 0.2767 0.859 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J10 compound treatment -0.812 -0.467 -0.46 -0.135 0.223 0.21 -0.322 -0.06891756097561 -0.0864045431981117 -0.1989 -0.386 3558451 ACon1_002108 CC1=C2CCC(C)(O)C=C2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J11 compound treatment 0.962 1.31 1.3 0.918 1.28 1.18 0.776 1.02908243902439 1.2901994324577 2.1771 0.9991 3559926 ACon1_002109 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CCOC2=O)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J12 compound treatment 0.031 0.376 0.37 -0.575 -0.217 -0.2 0.009 0.26208243902439 0.328582629791027 0.2893 0.5389 3559949 ACon1_002110 C/C=C(/C)\C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J13 compound treatment 0.541 0.886 0.88 1.225 1.58 1.32 1.15 1.40308243902439 1.64126371031654 2.2201 0.9717 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J14 compound treatment 0.157 0.502 0.5 -0.295 0.0626 0.06 0.592 0.84508243902439 1.05951169883232 0.9334 0.796 3083213 ACon1_002112 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J15 compound treatment -0.416 -0.0709 -0.07 -0.82 -0.462 -0.43 -0.544 -0.29091756097561 -0.364734308767866 -0.4985 -0.8794 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J16 compound treatment 0.866 1.21 1.2 0.6 0.958 0.89 0.321 0.57408243902439 0.719748786807979 1.6226 0.9778 3559659 ACon1_002114 CC(=CCn1cnc(N)c2ncnc12)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J17 compound treatment 0.706 1.05 1.04 1.275 1.63 1.34 0.824 1.07708243902439 1.35037884122954 2.1544 0.9937 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J18 compound treatment 1.25 1.6 1.42 1.554 1.91 1.4 2.205 2.45808243902439 1.96520881286398 2.7613 0.9867 2107849 ACon1_002116 C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCc2ccoc2)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J19 compound treatment -0.371 -0.0259 -0.03 -0.911 -0.553 -0.51 -0.572 -0.31891756097561 -0.399838963884772 -0.5416 -0.8326 1054600 ACon1_002117 COc1cc(C=O)cc2c3ccccc3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J20 compound treatment 0.048 0.393 0.39 -0.023 0.335 0.31 -0.259 -0.00591756097561003 -0.00741906918507327 0.4002 0.8024 1024517 ACon1_002118 COc1cc2CCNC(C)c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J21 mock treatment -0.119 0.226 0.22 -0.275 0.0826 0.08 -0.14 0.11308243902439 0.141775715061777 0.2558 0.925 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J22 mock treatment -0.311 0.0341 0.03 -0.391 -0.0334 -0.03 -0.02 0.23308243902439 0.292224236991374 0.1704 0.5761 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J23 compound treatment 0.35 0.695 0.69 0.092 0.45 0.42 0.067 0.32008243902439 0.401299415390332 0.871 0.9667 1528803 ACon1_002119 CC1(C)C2(C)CCC1(OC2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 J24 compound treatment -0.567 -0.222 -0.22 -0.508 -0.15 -0.14 -0.414 -0.16091756097561 -0.201748410010803 -0.3243 -0.9832 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K01 compound treatment 1.133 1.48 1.38 0.256 0.614 0.57 0.227 0.48008243902439 0.601897444629795 1.4731 0.9147 3553784 ACon1_002121 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3C1CC2[C@@H]5N(C)c6ccccc64 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K02 compound treatment 0.425 0.77 0.77 1.407 1.76 1.37 -0.076 0.17708243902439 0.222014926757562 1.3603 0.8589 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K03 compound treatment 0.247 0.592 0.59 -0.17 0.188 0.17 -0.093 0.16008243902439 0.200701386150869 0.556 0.8611 3558174 ACon1_002123 CC(O)CCC1=CCC2C(CC1C)OC(=O)C2=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K04 compound treatment 0.205 0.55 0.55 0.435 0.793 0.73 0.152 0.40508243902439 0.507867118423797 1.0327 0.9866 3559931 ACon1_002124 CC(=O)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)C)C(=O)/C=C/c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K05 compound treatment 0.125 0.47 0.47 -0.531 -0.173 -0.16 0.208 0.46108243902439 0.578076428657609 0.5109 0.6718 3552912 ACon1_002125 C[C@]12O[C@@H]2CC3C(C)(C)CCC[C@]3(C)[C@]41CC[C@](C)(CC(=O)O)O4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K06 compound treatment -0.075 0.27 0.27 -0.22 0.138 0.13 -0.306 -0.05291756097561 -0.0663447402741654 0.1903 0.6249 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K07 mock treatment 0.245 0.59 0.59 0.01 0.368 0.34 0.08 0.33308243902439 0.417598005266038 0.7763 0.9747 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K08 mock treatment -0.14 0.205 0.2 0.132 0.49 0.45 -0.615 -0.36191756097561 -0.453749684242878 0.1175 0.1745 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K09 compound treatment 0.619 0.964 0.96 0.118 0.476 0.44 0.191 0.44408243902439 0.556762888050916 1.1291 0.9466 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K10 compound treatment -0.239 0.106 0.11 -0.232 0.126 0.12 -0.206 0.04708243902439 0.0590290280004988 0.1621 0.9665 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K11 compound treatment 0.136 0.481 0.48 0.182 0.54 0.5 0.118 0.37108243902439 0.465240037210411 0.8332 0.9996 3616404 ACon1_002129 CC(C)C1CCC(=C2CCC(=CC12)C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K12 compound treatment -0.166 0.179 0.18 0.093 0.451 0.42 -0.153 0.10008243902439 0.125477125186071 0.4161 0.8841 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K13 compound treatment 1.16 1.51 1.39 0.034 0.392 0.36 0.379 0.63208243902439 0.792465572407285 1.4693 0.8957 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K14 compound treatment 0.28 0.625 0.62 0.149 0.507 0.47 0.146 0.39908243902439 0.500344692327317 0.9185 0.9924 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K15 mock treatment -0.463 -0.118 -0.12 0.204 0.562 0.52 0.306 0.55908243902439 0.70094272156678 0.6372 0.7236 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K16 mock treatment -0.128 0.217 0.22 0.238 0.596 0.55 -0.206 0.04708243902439 0.0590290280004988 0.4771 0.8016 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K17 compound treatment -0.301 0.0441 0.04 -0.41 -0.0524 -0.05 0.013 0.26608243902439 0.333597580522013 0.1899 0.5586 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K18 compound treatment -0.078 0.267 0.27 0.034 0.392 0.36 -0.357 -0.10391756097561 -0.130285362094244 0.2874 0.6143 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K19 compound treatment 1.124 1.47 1.38 0.869 1.23 1.14 0.945 1.19808243902439 1.50208110084188 2.3189 0.9936 3616414 ACon1_002135 CC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K20 compound treatment -0.303 0.0421 0.04 -0.338 0.0196 0.02 -0.205 0.04808243902439 0.0602827656832454 0.0694 0.9186 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K21 compound treatment 0.805 1.15 1.14 0.275 0.633 0.59 0.214 0.46708243902439 0.585598854754088 1.3364 0.9466 1116462 ACon1_002137 Nc1c(O)cccc1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K22 compound treatment -0.226 0.119 0.12 -0.201 0.157 0.15 -0.376 -0.12291756097561 -0.15410637806643 0.0631 0.2602 3559068 ACon1_002138 COc1cc(cc(OC)c1OC)C2OC(C(C)C2C)c3cc(OC)c(OC)c(OC)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K23 mock treatment -0.378 -0.0329 -0.03 -0.015 0.343 0.32 -0.207 0.04608243902439 0.0577752903177522 0.1976 0.6097 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 K24 mock treatment -0.071 0.274 0.27 0.011 0.369 0.34 0.186 0.43908243902439 0.550494199637182 0.6722 0.9566 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L01 compound treatment -0.198 0.147 0.15 1.431 1.79 1.37 0.753 1.00608243902439 1.26136346575453 1.606 0.8584 3615597 ACon1_002139 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L02 compound treatment 2.699 3.04 1.68 1.35 1.71 1.35 0.326 0.57908243902439 0.726017475221713 2.1738 0.9533 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L03 compound treatment 0.341 0.686 0.68 1.227 1.58 1.32 0.004 0.25708243902439 0.322313941377294 1.3441 0.8822 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L04 compound treatment -1.424 -1.08 -1.07 -0.694 -0.336 -0.31 -1.171 -0.91791756097561 -1.15082783585001 -1.4636 -0.9126 1091317 ACon1_002142 CC(C)CC(=O)CC1(C)CCC(O1)c2ccoc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L05 compound treatment -0.592 -0.247 -0.25 0.069 0.427 0.4 0.383 0.63608243902439 0.797480523138271 0.5468 0.5922 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L06 compound treatment -0.671 -0.326 -0.32 -0.716 -0.358 -0.33 -0.51 -0.25691756097561 -0.32210722755448 -0.5646 -0.9999 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L07 mock treatment -0.727 -0.382 -0.38 -0.676 -0.318 -0.29 -0.339 -0.08591756097561 -0.107718083804805 -0.4516 -0.9167 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L08 mock treatment -0.032 0.313 0.31 0.04 0.398 0.37 -0.057 0.19608243902439 0.245835942729748 0.5342 0.9871 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L09 compound treatment -0.345 6.6E-5 0.0 -0.464 -0.106 -0.1 0.08 0.33308243902439 0.417598005266038 0.1843 0.4295 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L10 compound treatment 2.154 2.5 1.61 1.168 1.53 1.31 1.119 1.37208243902439 1.6274823068823 2.6233 0.9953 3558525 ACon1_002146 COC(=O)CCCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L11 compound treatment -0.316 0.0291 0.03 -0.044 0.314 0.29 -0.006 0.24708243902439 0.309776564549827 0.3632 0.8534 3558176 ACon1_002147 COc1cc(O)c2C(=O)[C@H](OC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L12 compound treatment 0.218 0.563 0.56 -0.165 0.193 0.18 -0.051 0.20208243902439 0.253358368826228 0.5724 0.8947 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L13 compound treatment 0.33 0.675 0.67 0.134 0.492 0.46 0.207 0.46008243902439 0.576822690974862 0.9833 0.9881 3559438 ACon1_002149 CC(C)CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L14 compound treatment 0.141 0.486 0.48 -0.161 0.197 0.18 -0.424 -0.17091756097561 -0.214285786838269 0.2604 0.4657 3559513 ACon1_002150 C[C@]1(C[C@]23CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L15 mock treatment -0.161 0.184 0.18 0.043 0.401 0.37 -0.777 -0.52391756097561 -0.656855188847834 -0.0594 -0.0765 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L16 mock treatment -0.33 0.0151 0.01 -0.308 0.0496 0.05 -0.333 -0.07991756097561 -0.100195657708325 -0.0227 -0.2039 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L17 compound treatment -0.075 0.27 0.27 0.316 0.674 0.62 -0.125 0.12808243902439 0.160581780302977 0.6078 0.8711 3173755 ACon1_002151 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L18 compound treatment 0.936 1.28 1.27 1.314 1.67 1.35 0.449 0.70208243902439 0.88022721019955 2.0207 0.985 3553165 ACon1_002152 CC#CC#C/C=C\1/OC2(OC=CC2OC(=O)C=C(C)C)C=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L19 compound treatment 0.44 0.785 0.78 -0.187 0.171 0.16 -0.211 0.04208243902439 0.0527603395867656 0.5723 0.7171 3616420 ACon1_002153 COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L20 compound treatment 0.071 0.416 0.41 -0.508 -0.15 -0.14 -0.277 -0.02391756097561 -0.0299863474745129 0.1411 0.3225 3557450 ACon1_002154 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L21 compound treatment -1.317 -0.972 -0.97 -1.608 -1.25 -1.16 -0.334 -0.08091756097561 -0.101449395391071 -1.2849 -0.8501 1023016 ACon1_002155 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L22 compound treatment 0.374 0.719 0.71 0.03 0.388 0.36 0.103 0.35608243902439 0.446433971969211 0.8777 0.9581 3557458 ACon1_002156 C[C@@]12CCC3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L23 mock treatment -0.017 0.328 0.33 -0.029 0.329 0.3 -0.039 0.21408243902439 0.268403221019188 0.5189 0.9969 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 L24 mock treatment -0.539 -0.194 -0.19 -0.11 0.248 0.23 -0.122 0.13108243902439 0.164342993351217 0.1159 0.3393 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M01 compound treatment 1.494 1.84 1.48 1.038 1.4 1.27 0.784 1.03708243902439 1.30022933391967 2.3381 0.9976 3555864 ACon1_002157 OC(=O)CCCCCCCC(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M02 compound treatment 0.221 0.566 0.56 -0.764 -0.406 -0.38 -0.402 -0.14891756097561 -0.186703557817843 -1.0E-4 -2.0E-4 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M03 compound treatment 0.232 0.577 0.57 -0.245 0.113 0.1 -0.148 0.10508243902439 0.131745813599804 0.4675 0.782 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M04 compound treatment -0.216 0.129 0.13 -0.347 0.0106 0.01 -0.574 -0.32091756097561 -0.402346439250266 -0.1525 -0.3611 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M05 compound treatment 0.32 0.665 0.66 -0.551 -0.193 -0.18 -0.873 -0.61991756097561 -0.777214006391512 -0.1704 -0.1645 3553564 ACon1_002161 CC(C)c1cc2C(O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C34)c2c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M06 compound treatment 0.235 0.58 0.58 0.618 0.976 0.9 0.203 0.45608243902439 0.571807740243875 1.1846 0.9752 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M07 compound treatment 0.856 1.2 1.19 -0.025 0.333 0.31 -0.043 0.21008243902439 0.263388270288202 1.0193 0.8083 3616426 ACon1_002163 CC1CC(=O)C2C(O)(C1)CC(O)C34OC4c5c(O)cccc5C(=O)C23O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M08 compound treatment 0.959 1.3 1.3 0.179 0.537 0.5 0.17 0.42308243902439 0.530434396713236 1.3416 0.9027 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M09 mock treatment 0.033 0.378 0.38 -0.149 0.209 0.19 -0.018 0.23508243902439 0.294731712356868 0.4987 0.9679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M10 mock treatment 0.059 0.404 0.4 -0.142 0.216 0.2 0.047 0.30008243902439 0.376224661735399 0.5644 0.964 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M11 compound treatment 0.073 0.418 0.42 0.931 1.29 1.19 -0.05 0.20308243902439 0.254612106508975 1.0758 0.8347 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M12 compound treatment -0.111 0.234 0.23 -0.632 -0.274 -0.25 -0.205 0.04808243902439 0.0602827656832454 0.0225 0.0642 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M13 mock treatment 0.671 1.02 1.01 0.085 0.443 0.41 -0.044 0.20908243902439 0.262134532605455 0.9712 0.8662 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M14 mock treatment -0.024 0.321 0.32 -0.46 -0.102 -0.09 -0.099 0.15408243902439 0.19317896005439 0.2411 0.6263 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M15 compound treatment -0.394 -0.0489 -0.05 -0.989 -0.631 -0.58 -0.349 -0.09591756097561 -0.120255460632271 -0.4351 -0.7265 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M16 compound treatment -0.107 0.238 0.24 -0.035 0.323 0.3 -0.375 -0.12191756097561 -0.152852640383684 0.2209 0.5379 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M17 compound treatment 0.051 0.396 0.39 -0.138 0.22 0.2 -0.11 0.14308243902439 0.179387845544176 0.4483 0.9377 3616436 ACon1_002169 CC1(CO)CC(=O)CC2(C)C1CCC3=C2COC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M18 compound treatment 0.778 1.12 1.12 0.06 0.418 0.39 0.697 0.95008243902439 1.19115415552072 1.5556 0.9272 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M19 compound treatment 0.938 1.28 1.28 -0.09 0.268 0.25 0.016 0.26908243902439 0.337358793570253 1.0743 0.8002 3616437 ACon1_002171 CCCc1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M20 compound treatment 0.192 0.537 0.53 -0.219 0.139 0.13 -0.003 0.25008243902439 0.313537777598067 0.5634 0.8909 3555795 ACon1_002172 O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc5ccccc15 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M21 compound treatment 0.076 0.421 0.42 -0.519 -0.161 -0.15 -0.169 0.08408243902439 0.105417322262125 0.2163 0.4734 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M22 compound treatment -0.252 0.0931 0.09 -0.696 -0.338 -0.31 -0.31 -0.05691756097561 -0.071359691005152 -0.1687 -0.5044 3554747 ACon1_002174 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(OC)c3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M23 compound treatment -0.081 0.264 0.26 -0.455 -0.0974 -0.09 -0.254 -9.17560975610021E-4 -0.00115038077134006 0.0988 0.3561 3554983 ACon1_002175 COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 M24 compound treatment 0.166 0.511 0.51 0.457 0.815 0.75 0.976 1.22908243902439 1.54094696900703 1.6185 0.9045 3616440 ACon1_002176 Oc1ccc(CCCCC(=O)CCc2ccc(O)c(O)c2)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N01 compound treatment -0.023 0.322 0.32 -0.429 -0.0714 -0.07 -0.121 0.13208243902439 0.165596731033963 0.2423 0.6612 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N02 compound treatment -0.503 -0.158 -0.16 -0.287 0.0706 0.07 -0.202 0.05108243902439 0.0640439787314853 -0.0159 -0.0876 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N03 compound treatment 0.373 0.718 0.71 1.482 1.84 1.39 0.652 0.90508243902439 1.13473595979712 1.8672 0.9685 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N04 compound treatment -0.373 -0.0279 -0.03 -1.031 -0.673 -0.62 -1.207 -0.95391756097561 -1.19596239242889 -1.0665 -0.7906 3553392 ACon1_002180 CC(=O)OCC#Cc1ccc(s1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N05 compound treatment 0.278 0.623 0.62 -0.261 0.0966 0.09 -0.179 0.07408243902439 0.0928799454346581 0.4629 0.7316 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N06 compound treatment -0.273 0.0721 0.07 -0.492 -0.134 -0.12 -0.044 0.20908243902439 0.262134532605455 0.1209 0.4044 3559417 ACon1_002182 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=CC[C@@H]12)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N07 compound treatment 0.384 0.729 0.72 -0.146 0.212 0.2 -0.599 -0.34591756097561 -0.433689881318932 0.2812 0.3243 3616447 ACon1_002183 CNc1ccccc1C(=O)OC2OC(C)C(O)C(O)C2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N08 compound treatment -0.024 0.321 0.32 -0.183 0.175 0.16 -0.077 0.17608243902439 0.220761189074816 0.4051 0.9635 3559635 ACon1_002184 CC(=CC(O)C/C(=C\CCC(C)(O)C=C)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N09 mock treatment 0.01 0.355 0.35 -0.278 0.0796 0.07 -0.254 -9.17560975610021E-4 -0.00115038077134006 0.2457 0.6813 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N10 mock treatment -0.092 0.253 0.25 -0.357 6.1E-4 0.0 -0.129 0.12408243902439 0.15556682957199 0.2354 0.7958 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N11 compound treatment -0.447 -0.102 -0.1 -0.541 -0.183 -0.17 -0.529 -0.27591756097561 -0.345928243526667 -0.3563 -0.8941 3616448 ACon1_002185 CCC[C@@H](O)[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N12 compound treatment 1.669 2.01 1.52 0.938 1.3 1.2 0.551 0.80408243902439 1.00810845383971 2.1521 0.9859 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N13 mock treatment -0.101 0.244 0.24 1.202 1.56 1.32 -0.356 -0.10291756097561 -0.129031624411498 0.8259 0.6139 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N14 mock treatment 0.429 0.774 0.77 -0.411 -0.0534 -0.05 0.126 0.37908243902439 0.475269938672384 0.6902 0.7619 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N15 compound treatment -0.026 0.319 0.32 -0.349 0.00861 0.01 -0.17 0.08308243902439 0.104163584579378 0.2479 0.7422 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N16 compound treatment 0.29 0.635 0.63 -0.508 -0.15 -0.14 -0.37 -0.11691756097561 -0.146583951969951 0.1995 0.3009 3552715 ACon1_002188 C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N17 compound treatment 0.056 0.401 0.4 -0.381 -0.0234 -0.02 -0.211 0.04208243902439 0.0527603395867656 0.2482 0.6161 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N18 compound treatment 0.323 0.668 0.66 -0.175 0.183 0.17 0.153 0.40608243902439 0.509120856106543 0.775 0.9078 3559502 ACon1_002190 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N19 compound treatment -0.43 -0.0849 -0.08 -0.29 0.0676 0.06 -0.222 0.03108243902439 0.0389692250765525 0.0099 0.0882 3559390 ACon1_002191 Oc1ccc2C(=O)C(C(Oc2c1)c3ccc(O)c(O)c3)C4C(Oc5cc(O)ccc5C4=O)c6ccc(O)c(O)c6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N20 compound treatment 0.434 0.779 0.77 -0.105 0.253 0.23 0.457 0.71008243902439 0.890257111661523 1.0962 0.9112 3559784 ACon1_002192 O=C1/C(=C/2\Nc3ccccc3C2=O)/Nc4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N21 compound treatment 0.249 0.594 0.59 -0.728 -0.37 -0.34 -0.378 -0.12491756097561 -0.156613853431924 0.0526 0.075 1090111 ACon1_002193 CC(=C)C1Cc2cc(ccc2O1)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N22 compound treatment -0.235 0.11 0.11 -0.403 -0.0454 -0.04 -0.143 0.11008243902439 0.138014502013537 0.1186 0.6549 3557455 ACon1_002194 C[C@@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N23 compound treatment -1.654 -1.31 -1.3 -1.72 -1.36 -1.26 -1.094 -0.84091756097561 -1.05429003427852 -2.0883 -0.996 3553947 ACon1_002195 CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 N24 compound treatment 0.86 1.21 1.2 0.42 0.778 0.72 0.317 0.57008243902439 0.714733836076993 1.52 0.9682 1737132 ACon1_002196 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O01 compound treatment -0.303 0.0421 0.04 -0.445 -0.0874 -0.08 0.317 0.57008243902439 0.714733836076993 0.3901 0.5414 3554295 ACon1_002197 CCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O02 compound treatment 1.166 1.51 1.39 1.234 1.59 1.33 0.121 0.37408243902439 0.469001250258651 1.8396 0.9299 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O03 compound treatment 0.126 0.471 0.47 0.03 0.388 0.36 -0.286 -0.03291756097561 -0.0412699866192326 0.4538 0.7672 3558022 ACon1_002199 C/C/1=C\[C@H](O)C2[C@H](OC(=O)C2=C)/C=C(\CO)/CCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O04 compound treatment -0.35 -0.00493 0.0 -0.424 -0.0664 -0.06 -0.397 -0.14391756097561 -0.18043486940411 -0.1425 -0.7473 3616451 ACon1_002200 CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(=O)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O05 compound treatment 2.792 3.14 1.7 0.946 1.3 1.21 1.067 1.32008243902439 1.60353496471412 2.6014 0.9902 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O06 compound treatment -0.16 0.185 0.18 -0.857 -0.499 -0.46 -0.422 -0.16891756097561 -0.211778311472776 -0.283 -0.5233 3616299 ACon1_002202 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O07 compound treatment 0.09 0.435 0.43 -0.277 0.0806 0.07 -0.065 0.18808243902439 0.235806041267775 0.429 0.8609 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O08 compound treatment -0.59 -0.245 -0.24 0.24 0.598 0.55 0.143 0.39608243902439 0.496583479279077 0.4656 0.5951 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O09 compound treatment 0.058 0.403 0.4 0.078 0.436 0.4 -0.139 0.11408243902439 0.143029452744524 0.5468 0.9327 3616458 ACon1_002205 COc1cc(O)c(C(=O)c2c(O)cc(C)cc2O)c(c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O10 compound treatment 0.11 0.455 0.45 -0.22 0.138 0.13 -0.239 0.01408243902439 0.0176556844698596 0.345 0.7334 1063449 ACon1_002206 COc1c(C)c(OCC=C(C)C)cc(CO)c1CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O11 mock treatment -0.1 0.245 0.24 0.06 0.418 0.39 -0.063 0.19008243902439 0.238313516633269 0.5015 0.973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O12 mock treatment -0.099 0.246 0.24 -0.389 -0.0314 -0.03 -0.027 0.22608243902439 0.283448073212148 0.2881 0.7672 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O13 compound treatment 1.15 1.5 1.39 0.595 0.953 0.88 -0.336 -0.08291756097561 -0.103956870756565 1.2499 0.759 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O14 compound treatment 1.357 1.7 1.45 1.947 2.3 1.47 0.892 1.14508243902439 1.43563300365631 2.5146 0.9999 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O15 compound treatment 0.644 0.989 0.98 0.201 0.559 0.52 0.405 0.65808243902439 0.825062752158697 1.3427 0.9702 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O16 compound treatment 0.055 0.4 0.4 -0.364 -0.00639 -0.01 -0.18 0.07308243902439 0.0916262077519115 0.2791 0.6838 3616465 ACon1_002210 COC1OC2C(c3ccc4OCOc4c13)[N+](C)([O-])CCc5cc6OCOc6cc25 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O17 compound treatment 1.584 1.93 1.5 0.588 0.946 0.88 0.496 0.74908243902439 0.939152881288642 1.9144 0.9691 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O18 compound treatment 0.062 0.407 0.4 -0.323 0.0346 0.03 -0.333 -0.07991756097561 -0.100195657708325 0.1943 0.4647 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O19 compound treatment 1.007 1.35 1.34 1.656 2.01 1.42 1.175 1.42808243902439 1.65212122112895 2.5481 0.996 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O20 compound treatment -0.934 -0.589 -0.59 -0.664 -0.306 -0.28 -0.967 -0.71391756097561 -0.895065348569696 -1.0186 -0.9205 3554660 ACon1_002214 COC(=O)C1(Cc2ccc(O)c(CC3OC3(C)C)c2)OC(=O)C(=C1c4ccc(O)cc4)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O21 compound treatment -0.118 0.227 0.23 -0.431 -0.0734 -0.07 -0.156 0.09708243902439 0.121715912137831 0.1614 0.6082 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O22 compound treatment 0.029 0.374 0.37 -0.118 0.24 0.22 0.251 0.50408243902439 0.631987149015714 0.7077 0.9237 3558516 ACon1_002216 COC(=O)C(C(O)c1ccc(O)c(OC)c1)C(CO)Cc2ccc(O)c(OC)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O23 compound treatment -0.66 -0.315 -0.31 -0.367 -0.00939 -0.01 -0.372 -0.11891756097561 -0.149091427335444 -0.2719 -0.7837 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 O24 compound treatment -0.619 -0.274 -0.27 -0.591 -0.233 -0.22 -0.447 -0.19391756097561 -0.243121753541442 -0.4224 -0.9956 3616478 ACon1_002218 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(=O)OC4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P01 compound treatment 0.312 0.657 0.65 0.091 0.449 0.42 -0.107 0.14608243902439 0.183149058592416 0.7227 0.9085 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P02 compound treatment -0.36 -0.0149 -0.01 -0.326 0.0316 0.03 0.479 0.73208243902439 0.917839340681949 0.5382 0.586 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P03 compound treatment -0.105 0.24 0.24 -0.054 0.304 0.28 -0.18 0.07308243902439 0.0916262077519115 0.353 0.929 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P04 compound treatment -0.586 -0.241 -0.24 -0.851 -0.493 -0.46 -1.16 -0.90691756097561 -1.1370367213398 -1.0585 -0.8478 3559446 ACon1_002222 COc1cc2OC(C)(C)C=Cc2cc1C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P05 compound treatment 0.076 0.421 0.42 -0.249 0.109 0.1 -0.427 -0.17391756097561 -0.218046999886509 0.1739 0.3603 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P06 compound treatment -0.41 -0.0649 -0.06 -0.201 0.157 0.15 0.023 0.27608243902439 0.34613495734948 0.2463 0.6468 3558178 ACon1_002224 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P07 compound treatment -0.445 -0.0999 -0.1 -0.265 0.0926 0.09 -0.298 -0.04491756097561 -0.0563148388121923 -0.0404 -0.2826 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P08 compound treatment 0.536 0.881 0.88 -0.017 0.341 0.32 -0.05 0.20308243902439 0.254612106508975 0.8348 0.8649 3559717 ACon1_002226 CC1(C)CC(=O)c2ccc(O)cc2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P09 compound treatment -0.248 0.0971 0.1 0.229 0.587 0.54 -0.367 -0.11391756097561 -0.142822738921711 0.2869 0.5034 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P10 compound treatment -0.175 0.17 0.17 -0.043 0.315 0.29 0.282 0.53508243902439 0.67085301718086 0.6531 0.8701 3557753 ACon1_002228 CC(O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P11 mock treatment -0.282 0.0631 0.06 0.196 0.554 0.51 -0.076 0.17708243902439 0.222014926757562 0.4603 0.8189 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P12 mock treatment -0.213 0.132 0.13 -0.304 0.0536 0.05 -0.072 0.18108243902439 0.227029877488549 0.2355 0.8824 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P13 compound treatment 0.0 0.345 0.34 -0.144 0.214 0.2 -0.52 -0.26691756097561 -0.334644604381947 0.119 0.2296 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P14 compound treatment -0.406 -0.0609 -0.06 -0.501 -0.143 -0.13 -0.307 -0.05391756097561 -0.0675984779569121 -0.1507 -0.9367 3553129 ACon1_002230 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1C=CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P15 compound treatment -0.165 0.18 0.18 -0.485 -0.127 -0.12 -0.515 -0.26191756097561 -0.328375915968214 -0.1543 -0.3936 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P16 compound treatment 0.041 0.386 0.38 -0.605 -0.247 -0.23 0.068 0.32108243902439 0.402553153073079 0.3218 0.5349 3552697 ACon1_002232 C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2(O)CO)C3(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P17 compound treatment 1.169 1.51 1.39 -0.448 -0.0904 -0.08 -0.162 0.09108243902439 0.114193486041351 0.8216 0.587 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P18 compound treatment -0.519 -0.174 -0.17 -0.749 -0.391 -0.36 -1.041 -0.78791756097561 -0.987841937092947 -0.8794 -0.8247 3559496 ACon1_002234 COC(=O)C[C@H](C)CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P19 compound treatment -0.437 -0.0919 -0.09 -0.42 -0.0624 -0.06 -0.579 -0.32591756097561 -0.408615127663999 -0.322 -0.7619 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P20 compound treatment -0.487 -0.142 -0.14 -0.162 0.196 0.18 -0.27 -0.01691756097561 -0.0212101836952864 0.0109 0.0471 3557448 ACon1_002236 C[C@@]12CCC3[C@@H](CCc4cc(O)ccc34)C2CC[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P21 compound treatment -0.048 0.297 0.3 0.232 0.59 0.55 0.083 0.33608243902439 0.421359218314278 0.729 0.9717 3559463 ACon1_002237 C/C(=C\CCC(C)(O)C=C)/CCC(O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P22 compound treatment -0.002 0.343 0.34 0.01 0.368 0.34 -0.019 0.23408243902439 0.293477974674121 0.5629 0.9977 3557457 ACon1_002238 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P23 compound treatment -0.391 -0.0459 -0.05 -0.428 -0.0704 -0.07 -0.595 -0.34191756097561 -0.428674930587945 -0.3115 -0.7144 3559434 ACon1_002239 CCCCCCCCCCCC=C=CCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2296 P24 compound treatment 0.124 0.469 0.47 -0.24 0.118 0.11 -0.347 -0.09391756097561 -0.117747985266778 0.2641 0.5356 3559647 ACon1_002240 COc1ccc2C(=O)/C(=C/c3ccccc3)/Oc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A01 compound treatment -0.324 0.0211 0.02 -0.167 0.191 0.18 1.789 2.04208243902439 1.8634416545031 1.1898 0.6356 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A02 compound treatment 0.129 0.474 0.47 0.286 0.644 0.6 0.649 0.90208243902439 1.13097474674888 1.2691 0.9315 3559403 ACon1_002242 O=CNCCc1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A03 compound treatment 0.042 0.387 0.38 -0.285 0.0726 0.07 -0.204 0.04908243902439 0.0615365033659921 0.2965 0.7498 1060832 ACon1_002243 OCC(Cc1ccccc1)NC(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A04 compound treatment -0.389 -0.0439 -0.04 0.168 0.526 0.49 -0.283 -0.02991756097561 -0.0375087735709926 0.2341 0.4777 3555658 ACon1_002244 O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A05 compound treatment -0.725 -0.38 -0.38 -0.587 -0.229 -0.21 -0.335 -0.08191756097561 -0.102703133073818 -0.4 -0.8982 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A06 compound treatment 0.145 0.49 0.49 -0.066 0.292 0.27 0.128 0.38108243902439 0.477777414037877 0.713 0.9716 1032994 ACon1_002246 O=C1CC(Oc2ccccc12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A07 compound treatment -0.535 -0.19 -0.19 -0.288 0.0696 0.06 -0.333 -0.07991756097561 -0.100195657708325 -0.1297 -0.5807 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A08 compound treatment 0.654 0.999 0.99 -0.233 0.125 0.12 -0.261 -0.00791756097561003 -0.00992654455056656 0.6343 0.6344 3557592 ACon1_002248 CC1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(C)(O)CCC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A09 compound treatment -0.414 -0.0689 -0.07 -0.401 -0.0434 -0.04 -0.158 0.09508243902439 0.119208436772338 0.0061 0.0423 3559707 ACon1_002249 COc1ccc2C=C(COc2c1)c3cc(O)c(O)cc3OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A10 compound treatment -0.52 -0.175 -0.17 -0.385 -0.0274 -0.03 -0.414 -0.16091756097561 -0.201748410010803 -0.2315 -0.8653 3559278 ACon1_002250 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A11 compound treatment -1.57 -1.22 -1.22 -1.087 -0.729 -0.68 -0.459 -0.20591756097561 -0.258166605734402 -1.2421 -0.877 3559492 ACon1_002251 C[C@@H]1CCC2C(=CC(=O)CC2(C)C)[C@@]1(C)CC/C(=C/CO)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A12 compound treatment 0.084 0.429 0.43 -0.575 -0.217 -0.2 -0.254 -9.17560975610021E-4 -0.00115038077134006 0.1294 0.2743 3616487 ACon1_002252 CC1OC(=O)CC2C(=CC3CC(C)(C)CC321)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A13 mock treatment 0.086 0.431 0.43 0.067 0.425 0.39 -0.081 0.17208243902439 0.215746238343829 0.599 0.9656 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A14 mock treatment -0.178 0.167 0.17 -0.211 0.147 0.14 -0.336 -0.08291756097561 -0.103956870756565 0.1143 0.4793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A15 compound treatment 0.032 0.377 0.37 0.531 0.889 0.82 0.216 0.46908243902439 0.588106330119582 1.031 0.9559 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A16 compound treatment -0.29 0.0551 0.05 0.145 0.503 0.47 -0.503 -0.24991756097561 -0.313331063775254 0.1194 0.2118 1637425 ACon1_002254 Cc1cc(O)c(Cc2c(O)cc(C)oc2=O)c(=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A17 compound treatment 0.081 0.426 0.42 -0.368 -0.0104 -0.01 0.679 0.93208243902439 1.16858687723128 0.9137 0.735 3558320 ACon1_002255 COc1cc(/C=C/C(=O)NCCCCNC(=O)C)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A18 compound treatment 0.654 0.999 0.99 1.234 1.59 1.33 0.794 1.04708243902439 1.31276671074714 2.0967 0.992 3553473 ACon1_002256 CC(C)(O)C1=CCC2(COC3C2)C1CCC3(O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A19 compound treatment -0.434 -0.0889 -0.09 -0.284 0.0736 0.07 0.205 0.45808243902439 0.574315215609369 0.3199 0.5468 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A20 compound treatment 0.612 0.957 0.95 0.29 0.648 0.6 -0.077 0.17608243902439 0.220761189074816 1.023 0.8926 3616491 ACon1_002258 COc1cc(oc(=O)c1C)/C(=C/C(=C\C(=O)O)/C)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A21 compound treatment 0.634 0.979 0.97 0.775 1.13 1.05 0.075 0.32808243902439 0.411329316852305 1.4049 0.9437 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A22 compound treatment -1.45 -1.1 -1.1 -0.942 -0.584 -0.54 -0.993 -0.73991756097561 -0.927662528321109 -1.4822 -0.9648 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A23 compound treatment -0.511 -0.166 -0.16 -1.178 -0.82 -0.76 -0.189 0.06408243902439 0.0803425686071917 -0.4874 -0.6237 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 A24 compound treatment 0.829 1.17 1.17 0.524 0.882 0.82 0.563 0.81608243902439 1.02315330603267 1.7359 0.9898 1062887 ACon1_002262 CC1C(=O)c2cc3OCOc3cc2CCN(C)Cc4c5OCOc5ccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B01 compound treatment -0.745 -0.4 -0.4 -0.572 -0.214 -0.2 -0.309 -0.05591756097561 -0.0701059533224054 -0.3846 -0.855 1047225 ACon1_002263 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B02 mock treatment -0.315 0.0301 0.03 -0.834 -0.476 -0.44 -0.539 -0.28591756097561 -0.358465620354133 -0.4444 -0.7807 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B03 compound treatment -0.215 0.13 0.13 0.026 0.384 0.36 -0.111 0.14208243902439 0.17813410786143 0.3826 0.9155 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B04 mock treatment -0.567 -0.222 -0.22 -0.735 -0.377 -0.35 -0.513 -0.25991756097561 -0.32586844060272 -0.5173 -0.9829 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B05 compound treatment -0.077 0.268 0.27 -0.691 -0.333 -0.31 -0.492 -0.23891756097561 -0.299539949265041 -0.1973 -0.3899 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B06 mock treatment 0.543 0.888 0.88 0.16 0.518 0.48 0.051 0.30408243902439 0.381239612466386 1.0066 0.9368 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B07 compound treatment 0.07 0.415 0.41 0.222 0.58 0.54 0.374 0.62708243902439 0.786196883993551 1.002 0.9658 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B08 mock treatment -0.157 0.188 0.19 -0.139 0.219 0.2 -0.016 0.23708243902439 0.297239187722361 0.3964 0.9781 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B09 compound treatment -0.54 -0.195 -0.19 -0.505 -0.147 -0.14 -0.14 0.11308243902439 0.141775715061777 -0.1088 -0.394 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B10 mock treatment -0.288 0.0571 0.06 -0.485 -0.127 -0.12 -0.09 0.16308243902439 0.204462599199109 0.0827 0.3406 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B11 compound treatment -0.59 -0.245 -0.24 -0.897 -0.539 -0.5 -0.29 -0.03691756097561 -0.0462849373502192 -0.4557 -0.8172 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B12 mock treatment 0.109 0.454 0.45 0.029 0.387 0.36 0.098 0.35108243902439 0.440165283555478 0.7214 0.995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B13 mock treatment 0.414 0.759 0.75 -0.067 0.291 0.27 -0.089 0.16408243902439 0.205716336881856 0.7098 0.8581 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B14 mock treatment -0.149 0.196 0.19 -0.536 -0.178 -0.17 0.108 0.36108243902439 0.452702660382944 0.2785 0.5358 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B15 compound treatment 0.632 0.977 0.97 0.236 0.594 0.55 0.334 0.58708243902439 0.736047376683686 1.3031 0.9747 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B16 mock treatment 0.012 0.357 0.35 -0.04 0.318 0.29 -0.233 0.02008243902439 0.0251781105663394 0.3893 0.8432 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B17 compound treatment 0.112 0.457 0.45 -0.261 0.0966 0.09 -0.303 -0.04991756097561 -0.0625835272259255 0.2779 0.5946 3555288 ACon1_002270 COc1ccc2CC3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2C54CCN3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B18 mock treatment 0.134 0.479 0.48 0.055 0.413 0.38 -0.186 0.06708243902439 0.0841037816554316 0.5441 0.8828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B19 compound treatment -0.159 0.186 0.18 -0.038 0.32 0.3 0.067 0.32008243902439 0.401299415390332 0.5094 0.9577 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B20 mock treatment -0.056 0.289 0.29 -0.393 -0.0354 -0.03 0.215 0.46808243902439 0.586852592436835 0.4858 0.7425 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B21 compound treatment -0.233 0.112 0.11 0.014 0.372 0.34 0.116 0.36908243902439 0.462732561844918 0.5301 0.9027 3559603 ACon1_002272 CC1(C)CCCC2C3(C)CCC(C)(CC3CCC21O)C(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B22 mock treatment -0.175 0.17 0.17 -0.335 0.0226 0.02 0.55 0.80308243902439 1.00685471615696 0.691 0.6767 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B23 compound treatment -0.148 0.197 0.2 0.203 0.561 0.52 -0.162 0.09108243902439 0.114193486041351 0.4787 0.8451 3558670 ACon1_002273 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 B24 mock treatment -0.106 0.239 0.24 -0.076 0.282 0.26 -0.038 0.21508243902439 0.269656958701935 0.4435 0.9986 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C01 compound treatment 0.145 0.49 0.49 0.55 0.908 0.84 1.386 1.63908243902439 1.7356092630411 1.7685 0.8892 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C02 compound treatment 0.158 0.503 0.5 0.079 0.437 0.4 -0.503 -0.24991756097561 -0.313331063775254 0.3413 0.477 3559945 ACon1_002275 OC[C@H]1O[C@@H](OC(C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C03 compound treatment 1.629 1.97 1.51 0.517 0.875 0.81 0.292 0.54508243902439 0.683390394008327 1.7346 0.9398 3558659 ACon1_002276 CC(C)(O)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C04 compound treatment 1.87 2.22 1.56 1.448 1.81 1.38 1.22 1.47308243902439 1.67111259064751 2.6609 0.9969 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C05 compound treatment 0.052 0.397 0.39 -0.711 -0.353 -0.33 -0.655 -0.40191756097561 -0.503899191552744 -0.2519 -0.3505 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C06 compound treatment -0.531 -0.186 -0.18 -0.185 0.173 0.16 -0.358 -0.10491756097561 -0.131539099776991 -0.0904 -0.3257 3616509 ACon1_002279 CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C07 compound treatment 0.499 0.844 0.84 0.551 0.909 0.84 0.548 0.80108243902439 1.00434724079147 1.5501 0.9963 3554995 ACon1_002280 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C08 compound treatment 1.591 1.94 1.5 0.542 0.9 0.83 1.924 2.17708243902439 1.89924466704317 2.4451 0.9547 3554703 ACon1_002281 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C09 compound treatment -0.342 0.00307 0.0 -0.602 -0.244 -0.23 -0.346 -0.09291756097561 -0.116494247584031 -0.1961 -0.7706 3559543 ACon1_002282 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3CC2C(=C)CC[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C10 compound treatment -0.733 -0.388 -0.39 -0.859 -0.501 -0.46 -0.907 -0.65391756097561 -0.819841087604897 -0.964 -0.947 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C11 mock treatment -0.221 0.124 0.12 -0.389 -0.0314 -0.03 -0.141 0.11208243902439 0.140521977379031 0.1356 0.7164 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C12 mock treatment -0.029 0.316 0.31 -0.095 0.263 0.24 -0.026 0.22708243902439 0.284701810894894 0.4862 0.9947 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C13 compound treatment 0.002 0.347 0.35 -0.795 -0.437 -0.4 -0.954 -0.70091756097561 -0.87876675869399 -0.542 -0.5276 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C14 compound treatment -0.22 0.125 0.12 0.004 0.362 0.33 -0.362 -0.10891756097561 -0.136554050507977 0.1863 0.4871 3616510 ACon1_002285 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C15 mock treatment 0.963 1.31 1.3 0.622 0.98 0.91 0.397 0.65008243902439 0.815032850696724 1.7451 0.9789 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C16 mock treatment 1.687 2.03 1.52 0.821 1.18 1.09 0.415 0.66808243902439 0.837600128986164 1.9933 0.971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C17 compound treatment 0.356 0.701 0.7 0.745 1.1 1.02 0.582 0.83508243902439 1.04697432200485 1.5963 0.9854 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C18 compound treatment 0.216 0.561 0.56 -0.131 0.227 0.21 0.409 0.66208243902439 0.830077702889684 0.9224 0.9027 3559669 ACon1_002287 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCC2=CC(=O)OC2)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C19 compound treatment 0.109 0.454 0.45 -0.743 -0.385 -0.36 -0.276 -0.02291756097561 -0.0287326097917662 0.038 0.066 3555826 ACon1_002288 OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C20 compound treatment 0.812 1.16 1.15 0.236 0.594 0.55 0.247 0.50008243902439 0.626972198284728 1.3435 0.9456 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C21 compound treatment 1.13 1.48 1.38 -0.039 0.319 0.3 0.047 0.30008243902439 0.376224661735399 1.1846 0.8108 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C22 compound treatment -1.18 -0.835 -0.83 -1.345 -0.987 -0.91 1.121 1.37408243902439 1.62838231474965 -0.0669 -0.0328 3616517 ACon1_002291 COC(=O)CC1(C/C=C(\C)/CCC=C(C)C)CC(=O)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C23 compound treatment -0.784 -0.439 -0.44 -0.558 -0.2 -0.19 -0.564 -0.31091756097561 -0.389809062422799 -0.5841 -0.9516 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 C24 compound treatment 0.147 0.492 0.49 -0.065 0.293 0.27 -0.194 0.05908243902439 0.0740738801934585 0.4816 0.8538 3069520 ACon1_002293 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D01 compound treatment -0.503 -0.158 -0.16 -0.504 -0.146 -0.14 -0.323 -0.06991756097561 -0.0876582808808584 -0.2195 -0.9748 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D02 mock treatment 0.059 0.404 0.4 0.01 0.368 0.34 0.086 0.33908243902439 0.425120431362518 0.6739 0.9958 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D03 compound treatment -0.137 0.208 0.21 -0.092 0.266 0.25 -0.186 0.06708243902439 0.0841037816554316 0.31 0.9331 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D04 mock treatment -1.14 -0.795 -0.79 -1.46 -1.1 -1.02 -1.053 -0.79991756097561 -1.00288678928591 -1.6246 -0.9938 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D05 compound treatment 0.257 0.602 0.6 -0.586 -0.228 -0.21 -0.209 0.04408243902439 0.0552678149522589 0.2554 0.4008 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D06 mock treatment -0.33 0.0151 0.01 -0.564 -0.206 -0.19 -0.4 -0.14691756097561 -0.18419608245235 -0.208 -0.7825 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D07 compound treatment -0.797 -0.452 -0.45 -0.571 -0.213 -0.2 -0.666 -0.41291756097561 -0.517690306062957 -0.6724 -0.9425 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D08 mock treatment -0.338 0.00707 0.01 -0.427 -0.0694 -0.06 0.013 0.26608243902439 0.333597580522013 0.1596 0.4696 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D09 compound treatment -0.667 -0.322 -0.32 -0.811 -0.453 -0.42 -0.727 -0.47391756097561 -0.594168304710502 -0.7702 -0.9691 3616530 ACon1_002298 CC(C)(O)CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D10 mock treatment -0.113 0.232 0.23 0.205 0.563 0.52 0.821 1.07408243902439 1.3466176281813 1.2114 0.8285 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D11 mock treatment -1.265 -0.92 -0.91 -0.365 -0.00739 -0.01 -0.131 0.12208243902439 0.153059354206497 -0.4436 -0.4784 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D12 mock treatment -0.518 -0.173 -0.17 -0.528 -0.17 -0.16 -0.42 -0.16691756097561 -0.209270836107283 -0.3112 -0.9928 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D13 compound treatment -0.001 0.344 0.34 -0.802 -0.444 -0.41 -0.179 0.07408243902439 0.0928799454346581 0.0135 0.0249 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D14 mock treatment 0.082 0.427 0.42 -0.22 0.138 0.13 -0.313 -0.05991756097561 -0.0751209040533919 0.2753 0.6124 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D15 mock treatment 0.133 0.478 0.48 -0.169 0.189 0.17 -0.186 0.06708243902439 0.0841037816554316 0.4238 0.8256 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D16 mock treatment -0.15 0.195 0.19 -0.535 -0.177 -0.16 -0.217 0.03608243902439 0.0452379134902857 0.0433 0.1676 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D17 compound treatment -0.54 -0.195 -0.19 -0.435 -0.0774 -0.07 -0.316 -0.06291756097561 -0.0788821171016319 -0.1988 -0.8989 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D18 mock treatment -0.123 0.222 0.22 -0.457 -0.0994 -0.09 -0.19 0.06308243902439 0.079088830924445 0.12 0.4763 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D19 compound treatment -0.291 0.0541 0.05 -0.191 0.167 0.15 -0.136 0.11708243902439 0.146790665792764 0.2049 0.9327 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D20 mock treatment -0.435 -0.0899 -0.09 -0.485 -0.127 -0.12 -0.273 -0.01991756097561 -0.0249713967435263 -0.1341 -0.8936 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D21 compound treatment -0.393 -0.0479 -0.05 -0.592 -0.234 -0.22 -0.417 -0.16391756097561 -0.205509623059043 -0.2715 -0.8969 3559708 ACon1_002302 CC(OC(=O)/C=C(/C)\COC(=O)C)c1ccc(O)c(c1)C(=O)C=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D22 mock treatment 0.316 0.661 0.66 0.002 0.36 0.33 -0.417 -0.16391756097561 -0.205509623059043 0.453 0.5923 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D23 compound treatment -0.812 -0.467 -0.46 -0.52 -0.162 -0.15 -0.23 0.02308243902439 0.0289393236145793 -0.3381 -0.6917 3558805 ACon1_002303 CC1[C@@H]2CCC3(C)OC43C(O)C=C(C)C4[C@H]2OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 D24 mock treatment -0.105 0.24 0.24 0.047 0.405 0.37 -0.302 -0.04891756097561 -0.0613297895431789 0.3187 0.7107 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E01 mock treatment 0.372 0.717 0.71 -0.325 0.0326 0.03 -0.106 0.14708243902439 0.184402796275163 0.5355 0.7266 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E02 mock treatment -0.191 0.154 0.15 -0.182 0.176 0.16 -0.306 -0.05291756097561 -0.0663447402741654 0.144 0.618 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E03 compound treatment 0.043 0.388 0.39 0.03 0.388 0.36 0.313 0.56608243902439 0.709718885346006 0.8397 0.95 3616539 ACon1_002304 COc1cccc2C(=O)c3c(C(=O)c12)c(O)cc4CC(C)(O)CC(=O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E04 compound treatment -0.855 -0.51 -0.51 0.331 0.689 0.64 -0.18 0.07308243902439 0.0916262077519115 0.1283 0.1566 3616542 ACon1_002305 CC(O)/C=C/C1(O)C(C)CC(O)CC1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E05 compound treatment -0.497 -0.152 -0.15 -0.399 -0.0414 -0.04 3.176 3.42908243902439 2.13224383687079 1.1217 0.5247 1054502 ACon1_002306 COc1cc2n(C)c3ccccc3c(=O)c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E06 compound treatment 0.419 0.764 0.76 0.398 0.756 0.7 0.116 0.36908243902439 0.462732561844918 1.1097 0.9806 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E07 compound treatment 0.119 0.464 0.46 0.012 0.37 0.34 -0.164 0.08908243902439 0.111686010675858 0.5284 0.903 3616548 ACon1_002308 CC(O)CC1CCC(O)C(C)C(=O)OC(CC(C)O)CCC(O)C(C)C(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E08 compound treatment -0.107 0.238 0.24 -0.313 0.0446 0.04 -0.155 0.09808243902439 0.122969649820578 0.2315 0.8577 3559871 ACon1_002309 C/C=C\1/CN2C3Cc4c([nH]c5ccc(O)cc45)C2(O)CC1C3CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E09 mock treatment 0.203 0.548 0.54 -0.112 0.246 0.23 -0.031 0.22208243902439 0.278433122481161 0.6066 0.9293 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E10 mock treatment -1.653 -1.31 -1.3 -1.944 -1.59 -1.47 -1.034 -0.78091756097561 -0.979065773313721 -2.1641 -0.987 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E11 compound treatment 0.438 0.783 0.78 1.145 1.5 1.3 0.227 0.48008243902439 0.601897444629795 1.5481 0.949 3559551 ACon1_002310 C[C@H]1C[C@H]2OC(=O)C(=C2CC/C(=C/CC1=O)/C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E12 compound treatment -0.532 -0.187 -0.19 -0.447 -0.0894 -0.08 -0.19 0.06308243902439 0.079088830924445 -0.1094 -0.5013 3616552 ACon1_002311 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(=O)OC4OC(C)C(O)C(O)C4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E13 compound treatment 0.295 0.64 0.64 -0.686 -0.328 -0.3 -0.462 -0.20891756097561 -0.261927818782642 0.0406 0.054 3420076 ACon1_002312 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E14 compound treatment -0.382 -0.0369 -0.04 -0.55 -0.192 -0.18 -0.309 -0.05591756097561 -0.0701059533224054 -0.1645 -0.844 3559755 ACon1_002313 CC1(CCCC(C)(C)C2C3CCC21)C3CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E15 compound treatment 1.28 1.63 1.43 -0.297 0.0606 0.06 -0.1 0.15308243902439 0.191925222371643 0.966 0.6713 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E16 compound treatment 0.224 0.569 0.57 -0.353 0.00461 0.0 -0.055 0.19808243902439 0.248343418095242 0.4725 0.7647 3559326 ACon1_002315 CC(=CCC/C(=C/CC(O)/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E17 mock treatment -0.415 -0.0699 -0.07 -0.352 0.00561 0.01 0.186 0.43908243902439 0.550494199637182 0.2807 0.5058 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E18 mock treatment 0.033 0.378 0.38 -0.136 0.222 0.21 -0.114 0.13908243902439 0.17437289481319 0.4361 0.9433 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E19 compound treatment 0.8 1.15 1.14 0.355 0.713 0.66 0.335 0.58808243902439 0.737301114366432 1.4639 0.9706 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E20 compound treatment 0.855 1.2 1.19 1.392 1.75 1.36 1.273 1.52608243902439 1.69261670296413 2.4541 0.9895 3616556 ACon1_002317 O=C(NCCCCNCCCNC(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E21 compound treatment -0.428 -0.0829 -0.08 -0.611 -0.253 -0.23 -0.234 0.01908243902439 0.0239243728835928 -0.1693 -0.6774 3554770 ACon1_002318 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E22 compound treatment -0.019 0.326 0.32 -0.437 -0.0794 -0.07 -0.013 0.24008243902439 0.301000400770601 0.3185 0.7103 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E23 compound treatment -0.248 0.0971 0.1 -0.029 0.329 0.3 0.058 0.31108243902439 0.390015776245612 0.4566 0.9059 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 E24 compound treatment 1.98 2.33 1.58 -0.368 -0.0104 -0.01 -0.129 0.12408243902439 0.15556682957199 0.9963 0.6276 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F01 mock treatment 0.136 0.481 0.48 0.301 0.659 0.61 0.218 0.47108243902439 0.590613805485075 0.9692 0.9947 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F02 mock treatment -0.163 0.182 0.18 -0.452 -0.0944 -0.09 -0.357 -0.10391756097561 -0.130285362094244 -0.0212 -0.0884 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F03 compound treatment -0.096 0.249 0.25 -0.141 0.217 0.2 -0.205 0.04808243902439 0.0602827656832454 0.2936 0.9052 3212153 ACon1_002322 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F04 mock treatment -0.166 0.179 0.18 -0.458 -0.1 -0.09 -0.359 -0.10591756097561 -0.132792837459737 -0.0276 -0.1145 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F05 compound treatment 0.569 0.914 0.91 0.984 1.34 1.24 1.415 1.66808243902439 1.74606393233856 2.25 0.9666 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F06 mock treatment 0.403 0.748 0.74 0.06 0.418 0.39 -0.215 0.03808243902439 0.047745388855779 0.6802 0.8102 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F07 compound treatment 1.074 1.42 1.36 0.676 1.03 0.96 1.225 1.47808243902439 1.67318032783836 2.3052 0.9766 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F08 mock treatment -0.117 0.228 0.23 0.024 0.382 0.35 0.114 0.36708243902439 0.460225086479424 0.6006 0.9642 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F09 mock treatment 0.018 0.363 0.36 0.307 0.665 0.62 0.392 0.64508243902439 0.808764162282991 1.0306 0.9556 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F10 mock treatment -0.288 0.0571 0.06 -0.391 -0.0334 -0.03 -0.044 0.20908243902439 0.262134532605455 0.1662 0.6158 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F11 compound treatment -0.909 -0.564 -0.56 -0.643 -0.285 -0.26 -0.63 -0.37691756097561 -0.472555749484078 -0.7491 -0.9611 3616576 ACon1_002325 CC(=CCc1cc2C(=O)C(O)C(Oc2c3C(O)C(O)C(C)(C)Oc13)c4ccc(O)cc4)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F12 mock treatment 0.293 0.638 0.63 -0.005 0.353 0.33 0.094 0.34708243902439 0.435150332824491 0.806 0.9645 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F13 compound treatment -0.239 0.106 0.11 -0.101 0.257 0.24 -0.267 -0.01391756097561 -0.0174489706470464 0.188 0.7215 3616580 ACon1_002326 COc1cc(CC2COC(C2COC3OC(CO)C(O)C(O)C3O)c4ccc(O)c(OC)c4)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F14 mock treatment -0.19 0.155 0.15 -0.138 0.22 0.2 -0.229 0.02408243902439 0.030193061297326 0.2238 0.8711 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F15 compound treatment 2.196 2.54 1.62 4.61 4.97 1.72 2.224 2.47708243902439 1.9693047327118 3.0648 0.9965 2090754 ACon1_002327 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F16 mock treatment -0.331 0.0141 0.01 -0.041 0.317 0.29 -0.074 0.17908243902439 0.224522402123056 0.307 0.8307 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F17 mock treatment 0.241 0.586 0.58 -0.074 0.284 0.26 -0.109 0.14408243902439 0.180641583226923 0.5923 0.8918 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F18 mock treatment -0.405 -0.0599 -0.06 -0.007 0.351 0.32 -0.484 -0.23091756097561 -0.289510047803068 -0.0141 -0.0321 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F19 compound treatment 3.297 3.64 1.75 2.278 2.64 1.52 2.03 2.28308243902439 1.92538459750188 3.0002 0.9955 3559435 ACon1_002328 COc1c2occc2c(OCC(OC(=O)/C(=C\C)/C)C(C)(C)O)c3ccc(=O)oc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F20 mock treatment -0.184 0.161 0.16 -0.256 0.102 0.09 -0.076 0.17708243902439 0.222014926757562 0.2749 0.9499 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F21 compound treatment 0.006 0.351 0.35 -0.206 0.152 0.14 -0.032 0.22108243902439 0.277179384798415 0.4426 0.9472 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F22 mock treatment -0.386 -0.0409 -0.04 -0.18 0.178 0.16 -0.175 0.07808243902439 0.0978948961656447 0.128 0.654 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F23 compound treatment -0.556 -0.211 -0.21 -0.541 -0.183 -0.17 -0.463 -0.20991756097561 -0.263181556465388 -0.3711 -0.9844 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 F24 mock treatment -0.045 0.3 0.3 -0.011 0.347 0.32 0.159 0.41208243902439 0.516643282203023 0.6558 0.9681 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G01 compound treatment -0.174 0.171 0.17 -0.515 -0.157 -0.15 0.111 0.36408243902439 0.456463873431184 0.2776 0.546 3557489 ACon1_002331 CC12CC3(CC2C1CC34)CC(O)C5C(C)(CO)CCCC45C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G02 compound treatment 0.755 1.1 1.09 0.075 0.433 0.4 0.19 0.44308243902439 0.555509150368169 1.1834 0.9171 3557405 ACon1_002332 CCCC(O)C(O)C1CC(=CC(=O)O1)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G03 mock treatment -0.131 0.214 0.21 -0.334 0.0236 0.02 -0.405 -0.15191756097561 -0.190464770866083 0.0255 0.0891 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G04 mock treatment 0.345 0.69 0.69 0.006 0.364 0.34 0.061 0.31408243902439 0.393776989293852 0.8178 0.9513 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G05 compound treatment -0.275 0.0701 0.07 -0.68 -0.322 -0.3 0.089 0.34208243902439 0.428881644410758 0.1155 0.2191 3554767 ACon1_002333 COc1c(O)c2c(CCC3C(C)(C)CCC[C@@]32C(=O)O)cc1C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G06 compound treatment -0.351 -0.00593 -0.01 -0.305 0.0526 0.05 -0.304 -0.05091756097561 -0.0638372649086722 -0.0121 -0.1507 3616588 ACon1_002334 COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G07 compound treatment -0.352 -0.00693 -0.01 -0.549 -0.191 -0.18 -0.239 0.01408243902439 0.0176556844698596 -0.0961 -0.5392 1034509 ACon1_002335 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G08 compound treatment -0.807 -0.462 -0.46 -1.075 -0.717 -0.66 -0.721 -0.46791756097561 -0.586645878614022 -0.9874 -0.9892 3552648 ACon1_002336 C[C@@H]1C[C@H](O)/C=C/[C@H](O)[C@@H](O)CC(=O)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G09 compound treatment 0.658 1.0 1.0 -0.079 0.279 0.26 0.224 0.47708243902439 0.598136231581555 1.07 0.8983 3557256 ACon1_002337 CC(=O)c1c(O)cc(O)cc1CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G10 compound treatment -0.048 0.297 0.3 -0.36 -0.00239 0.0 -0.3 -0.04691756097561 -0.0588223141776856 0.1353 0.4492 3555790 ACon1_002338 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCC41 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G11 compound treatment -1.063 -0.718 -0.71 -0.89 -0.532 -0.49 -0.661 -0.40791756097561 -0.511421617649223 -0.992 -0.9851 3616592 ACon1_002339 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G12 compound treatment -0.124 0.221 0.22 -0.48 -0.122 -0.11 -0.252 0.00108243902438998 0.00135709459415323 0.0622 0.2517 3616597 ACon1_002340 CCCC1(O)Cc2c(O1)c3c(O)cccc3cc2C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G13 compound treatment 1.099 1.44 1.37 0.591 0.949 0.88 0.803 1.05608243902439 1.32405034989186 2.0629 0.9831 3558181 ACon1_002341 COc1cc(ccc1O)C2OCC3C(OC(=O)C23)c4ccc5OCOc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G14 compound treatment 0.136 0.481 0.48 -0.04 0.318 0.29 0.086 0.33908243902439 0.425120431362518 0.6914 0.9817 1029487 ACon1_002342 OCC(O)Cc1ccc2OCOc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G15 compound treatment 0.467 0.812 0.81 0.387 0.745 0.69 0.332 0.58508243902439 0.733539901318192 1.2877 0.9979 3553721 ACon1_002343 CC(CCCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G16 compound treatment 0.029 0.374 0.37 -0.333 0.0246 0.02 -0.36 -0.10691756097561 -0.134046575142484 0.1505 0.38 3554667 ACon1_002344 COC(=O)C1(CO)C2Cc3c(C4CC1/C(=C\C)/CN42)n(C)c5ccccc35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G17 compound treatment 0.142 0.487 0.48 -0.323 0.0346 0.03 0.138 0.39108243902439 0.490314790865344 0.5812 0.8424 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G18 compound treatment -0.142 0.203 0.2 -0.778 -0.42 -0.39 -0.633 -0.37991756097561 -0.476316962532317 -0.3832 -0.5919 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G19 mock treatment 0.219 0.564 0.56 0.534 0.892 0.83 0.276 0.52908243902439 0.66333059108438 1.1834 0.9875 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G20 mock treatment -0.44 -0.0949 -0.09 -0.732 -0.374 -0.35 -0.408 -0.15491756097561 -0.194225983914323 -0.3668 -0.898 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G21 compound treatment -0.222 0.123 0.12 -0.408 -0.0504 -0.05 -0.339 -0.08591756097561 -0.107718083804805 -0.0185 -0.1091 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G22 compound treatment -0.29 0.0551 0.05 -0.584 -0.226 -0.21 -0.101 0.15208243902439 0.190671484688896 0.0207 0.0716 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G23 compound treatment 0.099 0.444 0.44 -0.373 -0.0154 -0.01 -0.181 0.07208243902439 0.0903724700691648 0.2988 0.6628 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 G24 compound treatment 4.732 5.08 1.85 1.109 1.47 1.29 -0.009 0.24408243902439 0.306015351501587 1.9919 0.874 1011276 ACon1_002350 COc1ccc2CC3N(C)CCc4cc5OCOc5c(c34)-c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H01 compound treatment 0.618 0.963 0.96 0.893 1.25 1.16 0.248 0.50108243902439 0.628225935967474 1.5841 0.9727 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H02 mock treatment -0.011 0.334 0.33 -0.467 -0.109 -0.1 0.055 0.30808243902439 0.386254563197372 0.3563 0.686 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H03 mock treatment -0.077 0.268 0.27 -0.161 0.197 0.18 -0.163 0.09008243902439 0.112939748358604 0.3242 0.9481 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H04 mock treatment -0.497 -0.152 -0.15 -0.465 -0.107 -0.1 -0.223 0.03008243902439 0.0377154873938059 -0.1228 -0.665 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H05 compound treatment -0.123 0.222 0.22 -0.012 0.346 0.32 -0.027 0.22608243902439 0.283448073212148 0.4759 0.9891 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H06 mock treatment -0.316 0.0291 0.03 -0.269 0.0886 0.08 -0.105 0.14808243902439 0.18565653395791 0.1712 0.8352 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H07 compound treatment -0.661 -0.316 -0.31 0.215 0.573 0.53 -0.089 0.16408243902439 0.205716336881856 0.2435 0.3749 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H08 mock treatment -0.283 0.0621 0.06 -0.709 -0.351 -0.33 -0.344 -0.09091756097561 -0.113986772218538 -0.218 -0.6225 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H09 compound treatment -0.407 -0.0619 -0.06 -0.437 -0.0794 -0.07 -0.295 -0.04191756097561 -0.0525536257639524 -0.1083 -0.9907 3616613 ACon1_002354 Oc1ccccc1Cc2c(O)cc(O)c3C(=O)C[C@@H](Oc23)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H10 mock treatment -0.195 0.15 0.15 -0.381 -0.0234 -0.02 -0.387 -0.13391756097561 -0.167897492576643 -0.0233 -0.1033 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H11 compound treatment 0.165 0.51 0.51 -0.108 0.25 0.23 -0.157 0.09608243902439 0.120462174455084 0.4958 0.8695 3558021 ACon1_002355 OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H12 mock treatment -0.486 -0.141 -0.14 -0.115 0.243 0.22 -0.078 0.17508243902439 0.219507451392069 0.1755 0.5104 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H13 compound treatment -0.728 -0.383 -0.38 -0.434 -0.0764 -0.07 0.113 0.36608243902439 0.458971348796678 0.0044 0.0072 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H14 mock treatment -0.075 0.27 0.27 -0.126 0.232 0.21 -0.007 0.24608243902439 0.308522826867081 0.457 0.9895 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H15 compound treatment 0.384 0.729 0.72 0.233 0.591 0.55 0.156 0.40908243902439 0.512882069154783 1.0303 0.988 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H16 mock treatment 0.008 0.353 0.35 -0.126 0.232 0.21 0.155 0.40808243902439 0.511628331472037 0.6219 0.9473 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H17 compound treatment 0.924 1.27 1.26 0.926 1.28 1.19 0.256 0.50908243902439 0.638255837429447 1.7831 0.9654 3559631 ACon1_002358 COc1ccc(OC)c(/C=C/C(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H18 mock treatment -0.24 0.105 0.1 -0.022 0.336 0.31 0.068 0.32108243902439 0.402553153073079 0.4721 0.9094 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H19 mock treatment -0.573 -0.228 -0.23 -0.434 -0.0764 -0.07 -0.272 -0.01891756097561 -0.0237176590607796 -0.1854 -0.777 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H20 mock treatment -0.36 -0.0149 -0.01 -0.472 -0.114 -0.11 -0.28 -0.02691756097561 -0.0337475605227528 -0.0892 -0.7954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H21 compound treatment -0.511 -0.166 -0.16 -0.433 -0.0754 -0.07 -0.413 -0.15991756097561 -0.200494672328056 -0.2513 -0.9347 3559126 ACon1_002359 CO[C@]1(OC[C@@H]2[C@H](OC[C@@]21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H22 mock treatment 0.528 0.873 0.87 0.051 0.409 0.38 0.23 0.48308243902439 0.605658657678035 1.0692 0.9513 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H23 compound treatment 0.039 0.384 0.38 -0.162 0.196 0.18 -0.155 0.09808243902439 0.122969649820578 0.396 0.8998 3558476 ACon1_002360 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 H24 mock treatment -0.477 -0.132 -0.13 -0.112 0.246 0.23 0.217 0.47008243902439 0.589360067802328 0.3958 0.6135 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I01 compound treatment 0.069 0.414 0.41 1.034 1.39 1.27 0.168 0.42108243902439 0.527926921347743 1.2745 0.8889 1086162 ACon1_002361 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I02 compound treatment -0.014 0.331 0.33 -0.329 0.0286 0.03 -0.179 0.07408243902439 0.0928799454346581 0.2589 0.7549 3557472 ACon1_002362 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(O)c3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I03 compound treatment 0.022 0.367 0.36 0.275 0.633 0.59 0.071 0.32408243902439 0.406314366121319 0.7835 0.9783 3553181 ACon1_002363 CC(=C1CC[C@@]2(CO[C@@H]3C2)C1CC[C@]3(O)C(=O)O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I04 compound treatment 0.152 0.497 0.49 0.272 0.63 0.58 0.719 0.97208243902439 1.21873638454114 1.3255 0.9214 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I05 mock treatment -0.063 0.282 0.28 -0.253 0.105 0.1 0.166 0.41908243902439 0.52541944598225 0.5212 0.8637 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I06 mock treatment -0.135 0.21 0.21 -0.094 0.264 0.24 -0.016 0.23708243902439 0.297239187722361 0.4331 0.9896 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I07 compound treatment -0.388 -0.0429 -0.04 -0.657 -0.299 -0.28 -0.52 -0.26691756097561 -0.334644604381947 -0.3779 -0.8655 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I08 compound treatment 0.142 0.487 0.48 -0.212 0.146 0.13 -0.082 0.17108243902439 0.214492500661082 0.4812 0.8806 3557433 ACon1_002366 C[C@]1([C@H](O)CC(=O)c2coc3C(=O)c4c5CCC(=O)c5ccc41)c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I09 compound treatment -0.393 -0.0479 -0.05 0.465 0.823 0.76 -0.403 -0.14991756097561 -0.18795729550059 0.3037 0.3864 3554518 ACon1_002367 CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I10 compound treatment -1.006 -0.661 -0.66 -2.055 -1.7 -1.57 -0.457 -0.20391756097561 -0.255659130368908 -1.4344 -0.8327 3616630 ACon1_002368 COc1cc2oc(C)cc(=O)c2c(O)c1CSCC(O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I11 compound treatment 0.003 0.348 0.35 -0.102 0.256 0.24 -0.011 0.24208243902439 0.303507876136094 0.5117 0.9886 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I12 compound treatment 1.534 1.88 1.49 0.592 0.95 0.88 -0.711 -0.45791756097561 -0.574108501786555 1.0363 0.5686 3616631 ACon1_002370 C/C=C/CCCCC(=O)C(C)C(=O)N1CCC=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I13 compound treatment 0.266 0.611 0.61 -0.758 -0.4 -0.37 -0.269 -0.01591756097561 -0.0199564460125397 0.1252 0.1758 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I14 compound treatment -0.275 0.0701 0.07 -0.411 -0.0534 -0.05 -0.399 -0.14591756097561 -0.182942344769603 -0.0939 -0.4653 1403 ACon1_002372 COC(=O)C1=CCCN(C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I15 compound treatment 2.315 2.66 1.63 10.508 10.9 1.9 3.661 3.91408243902439 2.19278082845166 3.3086 0.9929 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I16 compound treatment 3.996 4.34 1.81 5.254 5.61 1.76 3.239 3.49208243902439 2.14077307178463 3.2925 0.996 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I17 compound treatment -0.287 0.0581 0.06 -0.119 0.239 0.22 0.241 0.49408243902439 0.619449772188248 0.5185 0.7854 3551981 ACon1_002375 C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I18 compound treatment 0.595 0.94 0.93 0.645 1.0 0.93 0.678 0.93108243902439 1.16733313954853 1.7495 0.994 3616633 ACon1_002376 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5ccc(OC)c(OC)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I19 compound treatment -0.994 -0.649 -0.65 -0.663 -0.305 -0.28 -0.751 -0.49791756097561 -0.624258009096421 -0.8962 -0.9521 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I20 compound treatment 0.082 0.427 0.42 -0.397 -0.0394 -0.04 -0.144 0.10908243902439 0.136760764330791 0.303 0.6771 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I21 mock treatment -0.307 0.0381 0.04 -0.297 0.0606 0.06 -0.116 0.13708243902439 0.171865419447697 0.1535 0.8309 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I22 mock treatment -0.785 -0.44 -0.44 -1.104 -0.746 -0.69 -0.675 -0.42191756097561 -0.528973945207676 -0.9569 -0.9824 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I23 compound treatment -0.277 0.0681 0.07 -0.359 -0.00139 0.0 -0.313 -0.05991756097561 -0.0751209040533919 -0.005 -0.0499 3559277 ACon1_002379 CC(=O)C12CC(CCC2(C)CCC1O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 I24 compound treatment -0.374 -0.0289 -0.03 -0.042 0.316 0.29 0.036 0.28908243902439 0.362433547225186 0.3614 0.7747 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J01 compound treatment 0.063 0.408 0.41 -0.273 0.0846 0.08 -0.179 0.07408243902439 0.0928799454346581 0.3331 0.7865 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J02 mock treatment -0.442 -0.0969 -0.1 -0.825 -0.467 -0.43 -0.376 -0.12291756097561 -0.15410637806643 -0.3945 -0.8404 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J03 compound treatment -0.18 0.165 0.16 -0.511 -0.153 -0.14 -0.364 -0.11091756097561 -0.139061525873471 -0.0675 -0.262 3616640 ACon1_002382 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccccc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J04 mock treatment -0.09 0.255 0.25 -0.364 -0.00639 -0.01 -0.154 0.09908243902439 0.124223387503324 0.2147 0.7602 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J05 mock treatment 0.034 0.379 0.38 -0.155 0.203 0.19 -0.261 -0.00791756097561003 -0.00992654455056656 0.3202 0.7603 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J06 mock treatment 0.031 0.376 0.37 0.148 0.506 0.47 -0.507 -0.25391756097561 -0.318346014506241 0.3024 0.4456 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J07 compound treatment 1.233 1.58 1.41 1.66 2.02 1.42 1.348 1.60108243902439 1.72156301702794 2.6302 0.9956 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J08 mock treatment -0.146 0.199 0.2 -0.269 0.0886 0.08 0.007 0.26008243902439 0.326075154425534 0.3499 0.8968 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J09 compound treatment 0.419 0.764 0.76 -0.067 0.291 0.27 -0.1 0.15308243902439 0.191925222371643 0.7047 0.8507 3616643 ACon1_002384 COc1cc(cc2CC(Oc21)C(=C)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J10 mock treatment -0.335 0.0101 0.01 -0.53 -0.172 -0.16 -0.223 0.03008243902439 0.0377154873938059 -0.0646 -0.3932 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J11 compound treatment 2.91 3.26 1.71 3.421 3.78 1.64 1.833 2.08608243902439 1.87544006709062 3.0183 0.9984 3616644 ACon1_002385 CC(=CCc1cc2[C@@H]3COc4c(O)c(O)ccc4[C@@H]3Oc2cc1O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J12 mock treatment -0.837 -0.492 -0.49 -0.198 0.16 0.15 -0.276 -0.02291756097561 -0.0287326097917662 -0.2136 -0.4175 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J13 compound treatment -0.085 0.26 0.26 -0.448 -0.0904 -0.08 -0.111 0.14208243902439 0.17813410786143 0.2038 0.6272 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J14 mock treatment -0.028 0.317 0.32 -0.338 0.0196 0.02 -0.165 0.08808243902439 0.110432272993111 0.2562 0.766 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J15 compound treatment 0.301 0.646 0.64 0.02 0.378 0.35 -0.023 0.23008243902439 0.288463023943134 0.7392 0.9404 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J16 mock treatment 0.287 0.632 0.63 -0.093 0.265 0.25 -0.161 0.09208243902439 0.115447223724098 0.5709 0.8343 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J17 compound treatment 0.056 0.401 0.4 -0.106 0.252 0.23 -0.112 0.14108243902439 0.176880370178683 0.4668 0.944 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J18 mock treatment 0.473 0.818 0.81 0.203 0.561 0.52 -0.178 0.07508243902439 0.0941336831174048 0.8236 0.8496 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J19 compound treatment 0.172 0.517 0.51 0.321 0.679 0.63 0.2 0.45308243902439 0.568046527195636 0.9875 0.9967 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J20 mock treatment -0.413 -0.0679 -0.07 -0.214 0.144 0.13 0.008 0.26108243902439 0.32732889210828 0.2268 0.6304 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J21 mock treatment 0.462 0.807 0.8 0.09 0.448 0.41 0.078 0.33108243902439 0.415090529900545 0.9422 0.948 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J22 mock treatment -0.427 -0.0819 -0.08 -0.3 0.0576 0.05 -0.052 0.20108243902439 0.252104631143482 0.1293 0.4785 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J23 mock treatment -0.187 0.158 0.16 0.271 0.629 0.58 0.044 0.29708243902439 0.372463448687159 0.6418 0.9057 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 J24 mock treatment -0.359 -0.0139 -0.01 -0.247 0.111 0.1 0.057 0.31008243902439 0.388762038562866 0.2756 0.6851 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K01 compound treatment 0.499 0.844 0.84 -0.79 -0.432 -0.4 -0.227 0.02608243902439 0.0327005366628193 0.2722 0.2926 3554199 ACon1_002390 CCc1c(O)cc(O)c2C(=O)C[C@@H](C)Oc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K02 compound treatment 1.754 2.1 1.54 0.196 0.554 0.51 -0.161 0.09208243902439 0.115447223724098 1.2501 0.7695 3559924 ACon1_002391 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CC(=O)OC2O)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K03 compound treatment -0.189 0.156 0.16 -0.379 -0.0214 -0.02 -0.081 0.17208243902439 0.215746238343829 0.2027 0.7607 3558269 ACon1_002392 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K04 compound treatment 0.114 0.459 0.46 -0.222 0.136 0.13 -0.408 -0.15491756097561 -0.194225983914323 0.2239 0.4375 3559641 ACon1_002393 O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K05 compound treatment 0.637 0.982 0.98 -0.112 0.246 0.23 0.035 0.28808243902439 0.36117980954244 0.9035 0.8479 3554959 ACon1_002394 COc1cc(O)c(C(=O)C)c(CC(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K06 compound treatment -0.012 0.333 0.33 -0.459 -0.101 -0.09 -0.078 0.17508243902439 0.219507451392069 0.2637 0.646 3616650 ACon1_002395 COc1cc(oc(=O)c1C)/C(=C/C(C)O)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K07 mock treatment 0.048 0.393 0.39 0.055 0.413 0.38 0.064 0.31708243902439 0.397538202342092 0.6757 0.9999 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K08 mock treatment -0.194 0.151 0.15 -0.544 -0.186 -0.17 -0.513 -0.25991756097561 -0.32586844060272 -0.2011 -0.505 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K09 compound treatment 0.787 1.13 1.13 0.079 0.437 0.4 0.004 0.25708243902439 0.322313941377294 1.0693 0.8633 3559867 ACon1_002396 COc1c(O)cc2CCNC3Cc4ccccc4-c1c32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K10 compound treatment 1.094 1.44 1.37 1.931 2.29 1.47 1.138 1.39108243902439 1.63597143884311 2.5843 0.9973 3616653 ACon1_002397 CC(CCO)/C=C(/C)\C=C\C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K11 compound treatment 0.88 1.23 1.22 0.724 1.08 1.0 0.396 0.64908243902439 0.813779113013977 1.7512 0.9869 3558744 ACon1_002398 COc1cc(/C=C/CO)cc(OC)c1OC\C=C(/C)\CCC=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K12 compound treatment 1.105 1.45 1.37 0.481 0.839 0.78 0.27 0.52308243902439 0.655808164987901 1.6194 0.9482 3616654 ACon1_002399 CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K13 compound treatment 1.426 1.77 1.46 2.786 3.14 1.58 0.991 1.24408243902439 1.55975303424823 2.6604 0.9994 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K14 compound treatment 0.499 0.844 0.84 -0.366 -0.00839 -0.01 0.056 0.30908243902439 0.387508300880119 0.7037 0.7613 2732 ACon1_002401 Cc1cc(=O)oc2cc(O)ccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K15 mock treatment -0.492 -0.147 -0.15 -0.425 -0.0674 -0.06 -0.423 -0.16991756097561 -0.213032049155523 -0.2434 -0.9158 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K16 mock treatment 0.107 0.452 0.45 -0.088 0.27 0.25 0.519 0.77208243902439 0.967988847991814 0.9625 0.8781 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K17 compound treatment -0.145 0.2 0.2 -0.502 -0.144 -0.13 0.024 0.27708243902439 0.347388695032227 0.2382 0.5644 3554976 ACon1_002402 COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K18 compound treatment -0.313 0.0321 0.03 -0.847 -0.489 -0.45 -0.458 -0.20491756097561 -0.256912868051655 -0.3915 -0.7503 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K19 compound treatment 0.738 1.08 1.08 1.747 2.1 1.44 0.43 0.68308243902439 0.856406194227363 1.9469 0.9779 3559928 ACon1_002404 COC1OC(=O)C(=C1)CCC2(C)C/C=C\C=C(\C(=O)O)/C(=C)CCC2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K20 compound treatment -0.228 0.117 0.12 -0.523 -0.165 -0.15 -0.634 -0.38091756097561 -0.477570700215064 -0.2969 -0.5768 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K21 compound treatment -0.363 -0.0179 -0.02 -0.371 -0.0134 -0.01 -0.023 0.23008243902439 0.288463023943134 0.1491 0.5154 3557421 ACon1_002406 Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K22 compound treatment 0.006 0.351 0.35 0.429 0.787 0.73 0.545 0.79808243902439 1.00058602774323 1.1997 0.933 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K23 mock treatment -0.76 -0.415 -0.41 -0.232 0.126 0.12 -0.05 0.20308243902439 0.254612106508975 -0.024 -0.0482 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 K24 mock treatment 2.358 2.7 1.64 0.745 1.1 1.02 0.683 0.93608243902439 1.17360182796226 2.2135 0.9795 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L01 compound treatment 2.097 2.44 1.6 2.294 2.65 1.53 0.885 1.13808243902439 1.42685683987709 2.628 0.9989 3616659 ACon1_002408 C/C(=C\CCC(=C)C1(O)CCC(=CC1)C)/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L02 mock treatment -0.032 0.313 0.31 -0.11 0.248 0.23 -0.132 0.12108243902439 0.15180561652375 0.3997 0.9624 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L03 compound treatment 0.121 0.466 0.46 -0.089 0.269 0.25 -0.263 -0.00991756097561003 -0.0124340199160598 0.4039 0.7679 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L04 mock treatment -0.021 0.324 0.32 -0.103 0.255 0.24 0.055 0.30808243902439 0.386254563197372 0.5451 0.9813 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L05 compound treatment 0.25 0.595 0.59 0.34 0.698 0.65 -0.029 0.22408243902439 0.280940597846654 0.8767 0.9531 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L06 mock treatment -0.401 -0.0559 -0.06 -0.609 -0.251 -0.23 -0.194 0.05908243902439 0.0740738801934585 -0.1237 -0.4939 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L07 mock treatment -0.486 -0.141 -0.14 -0.627 -0.269 -0.25 -0.406 -0.15291756097561 -0.19171850854883 -0.3356 -0.9745 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L08 mock treatment -0.369 -0.0239 -0.02 -0.078 0.28 0.26 -0.172 0.08108243902439 0.101656109213885 0.1944 0.6965 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L09 compound treatment -0.18 0.165 0.16 -0.252 0.106 0.1 -0.033 0.22008243902439 0.275925647115668 0.3105 0.9252 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L10 mock treatment 0.388 0.733 0.73 0.101 0.459 0.42 0.021 0.27408243902439 0.343627481983987 0.8643 0.949 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L11 compound treatment -0.757 -0.412 -0.41 -0.227 0.131 0.12 -0.325 -0.07191756097561 -0.0901657562463517 -0.2187 -0.5011 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L12 mock treatment -0.634 -0.289 -0.29 -0.338 0.0196 0.02 -0.23 0.02308243902439 0.0289393236145793 -0.1387 -0.4793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L13 compound treatment -0.52 -0.175 -0.17 -0.168 0.19 0.18 -0.189 0.06408243902439 0.0803425686071917 0.0473 0.1822 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L14 mock treatment -0.528 -0.183 -0.18 -0.365 -0.00739 -0.01 0.45 0.70308243902439 0.881480947882296 0.4 0.4444 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L15 mock treatment -0.064 0.281 0.28 0.187 0.545 0.5 0.069 0.32208243902439 0.403806890755825 0.6856 0.9741 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L16 mock treatment -0.093 0.252 0.25 -0.164 0.194 0.18 -0.151 0.10208243902439 0.127984600551564 0.3221 0.9653 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L17 compound treatment 0.333 0.678 0.67 0.337 0.695 0.64 0.131 0.38408243902439 0.481538627086117 1.0385 0.9902 3559686 ACon1_002414 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(O)c(OC)c3)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L18 mock treatment -0.563 -0.218 -0.22 -0.355 0.00261 0.0 -0.071 0.18208243902439 0.228283615171295 0.0081 0.0258 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L19 compound treatment -0.091 0.254 0.25 -0.358 -3.9E-4 0.0 -0.238 0.01508243902439 0.0189094221526062 0.1565 0.618 3557479 ACon1_002415 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L20 mock treatment -0.479 -0.134 -0.13 -0.302 0.0556 0.05 -0.095 0.15808243902439 0.198193910785376 0.0673 0.2754 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L21 compound treatment -0.509 -0.164 -0.16 -0.443 -0.0854 -0.08 -0.519 -0.26591756097561 -0.3333908666992 -0.3322 -0.8756 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L22 mock treatment 0.079 0.424 0.42 0.174 0.532 0.49 0.279 0.53208243902439 0.66709180413262 0.9127 0.9814 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L23 mock treatment -0.372 -0.0269 -0.03 -0.135 0.223 0.21 -0.127 0.12608243902439 0.158074304937484 0.1948 0.746 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 L24 mock treatment -0.607 -0.262 -0.26 -0.231 0.127 0.12 -0.187 0.06608243902439 0.082850043972685 -0.0348 -0.1171 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M01 compound treatment 0.222 0.567 0.56 0.102 0.46 0.43 0.146 0.39908243902439 0.500344692327317 0.8601 0.9936 3557425 ACon1_002417 C/C=C(\C)/C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M02 compound treatment -0.533 -0.188 -0.19 -0.345 0.0126 0.01 -0.478 -0.22491756097561 -0.281987621706588 -0.2639 -0.7798 3557333 ACon1_002418 Cc1cc2cc(O)cc(O)c2c(=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M03 compound treatment 0.998 1.34 1.34 3.783 4.14 1.67 2.181 2.43408243902439 1.95997406580356 2.8676 0.9883 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M04 compound treatment 0.771 1.12 1.11 1.501 1.86 1.39 0.445 0.69808243902439 0.875212259468563 1.9482 0.983 1110474 ACon1_002420 COc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M05 compound treatment -0.276 0.0691 0.07 0.444 0.802 0.74 -0.41 -0.15691756097561 -0.196733459279816 0.3546 0.46 3553164 ACon1_002421 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@H](OC[C@H]34)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M06 compound treatment 0.614 0.959 0.95 -0.012 0.346 0.32 0.066 0.31908243902439 0.400045677707585 0.9662 0.8927 3557719 ACon1_002422 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M07 compound treatment 0.568 0.913 0.91 -0.07 0.288 0.27 0.201 0.45408243902439 0.569300264878382 1.0065 0.9116 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M08 compound treatment -0.308 0.0371 0.04 -0.279 0.0786 0.07 -0.06 0.19308243902439 0.242074729681509 0.2031 0.7949 3559706 ACon1_002424 COc1cc(O)c2c(=O)cc(oc2c1)c3cc(OC)c(OC)c(O)c3OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M09 mock treatment 0.287 0.632 0.63 0.086 0.444 0.41 0.104 0.35708243902439 0.447687709651958 0.8584 0.9821 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M10 mock treatment -0.383 -0.0379 -0.04 -0.468 -0.11 -0.1 -0.294 -0.04091756097561 -0.0512998880812057 -0.1104 -0.9168 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M11 compound treatment 0.386 0.731 0.73 0.18 0.538 0.5 0.137 0.39008243902439 0.489061053182597 0.9894 0.9819 3558746 ACon1_002425 COc1cc(/C=C/CO)ccc1OC\C=C(/C)\CCC=C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M12 compound treatment 0.12 0.465 0.46 1.106 1.46 1.29 -0.067 0.18608243902439 0.233298565902282 1.1463 0.8248 3616671 ACon1_002426 COc1c(O)cc2C(Oc3cc(C)oc(=O)c3)C(C)OC(=O)c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M13 mock treatment -0.237 0.108 0.11 -0.593 -0.235 -0.22 -0.166 0.08708243902439 0.109178535310364 -8.0E-4 -0.0029 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M14 mock treatment -0.276 0.0691 0.07 -0.495 -0.137 -0.13 -0.347 -0.09391756097561 -0.117747985266778 -0.1018 -0.5459 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M15 compound treatment 0.004 0.349 0.35 -0.434 -0.0764 -0.07 -0.193 0.06008243902439 0.0753276178762051 0.203 0.5607 3554561 ACon1_002427 COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M16 compound treatment 0.24 0.585 0.58 0.624 0.982 0.91 0.247 0.50008243902439 0.626972198284728 1.2226 0.9796 3616673 ACon1_002428 COC(=O)[C@]1(O)[C@H](O)C(=O)C(=C1/C=C/C)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M17 compound treatment 0.22 0.565 0.56 -0.166 0.192 0.18 0.178 0.43108243902439 0.540464298175209 0.7388 0.9241 3554697 ACon1_002429 COC(=O)c1c(O)cc(C)cc1Oc2c(O)cc(OC)cc2CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M18 compound treatment -0.438 -0.0929 -0.09 -0.385 -0.0274 -0.03 -0.223 0.03008243902439 0.0377154873938059 -0.0462 -0.4488 3616676 ACon1_002430 COc1cc(O)cc(C)c1C(=O)OC2C(CO)OC(C2OC(=O)C)n3ccc(=O)[nH]c3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M19 compound treatment -0.366 -0.0209 -0.02 -0.067 0.291 0.27 -0.123 0.13008243902439 0.16308925566847 0.2375 0.7532 3616679 ACon1_002431 COC(CC(c1c(O)cc2cc(C)oc(=O)c2c1O)c3c(O)cc4cc(C)oc(=O)c4c3O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M20 compound treatment 0.685 1.03 1.02 0.145 0.503 0.47 0.499 0.75208243902439 0.942914094336882 1.4043 0.9568 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M21 compound treatment 0.299 0.644 0.64 2.926 3.28 1.6 0.376 0.62908243902439 0.788704359359045 1.7482 0.9228 3552105 ACon1_002433 C/C=C/C1OC2=C(C(O)C1O)C(=O)OC2=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M22 compound treatment 6.827 7.17 1.95 5.956 6.31 1.79 2.972 3.22508243902439 2.10304305325084 3.3699 0.9978 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M23 compound treatment -0.106 0.239 0.24 -0.09 0.268 0.25 0.012 0.26508243902439 0.332343842839267 0.4722 0.9881 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 M24 compound treatment -0.708 -0.363 -0.36 -0.377 -0.0194 -0.02 -0.217 0.03608243902439 0.0452379134902857 -0.1926 -0.5289 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N01 compound treatment 0.038 0.383 0.38 0.003 0.361 0.33 0.162 0.41508243902439 0.520404495251263 0.7131 0.982 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N02 mock treatment 0.295 0.64 0.64 -0.563 -0.205 -0.19 -0.146 0.10708243902439 0.134253288965297 0.3351 0.4946 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N03 compound treatment -0.15 0.195 0.19 -0.578 -0.22 -0.2 -0.1 0.15308243902439 0.191925222371643 0.105 0.308 3616685 ACon1_002438 CC(=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c3ccc(O)cc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N04 mock treatment 0.029 0.374 0.37 0.019 0.377 0.35 0.087 0.34008243902439 0.426374169045265 0.6622 0.9964 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N05 compound treatment 1.791 2.14 1.54 2.236 2.59 1.52 1.92 2.17308243902439 1.89822572084095 2.8638 0.9945 3616688 ACon1_002439 C[C@]12C[C@H](OC(=O)[C@H]2CC[C@]3(C)[C@H]1CCC=C3C(=O)O)c4ccoc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N06 mock treatment -0.211 0.134 0.13 0.095 0.453 0.42 -0.077 0.17608243902439 0.220761189074816 0.4464 0.9071 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N07 compound treatment 0.238 0.583 0.58 0.125 0.483 0.45 0.486 0.73908243902439 0.926615504461175 1.1277 0.955 3616690 ACon1_002440 COc1cc2C[C@H]3COC(=O)[C@@H]3Cc4cc5OCOc5cc4-c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N08 mock treatment -0.086 0.259 0.26 -0.297 0.0606 0.06 -0.044 0.20908243902439 0.262134532605455 0.3324 0.8943 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N09 mock treatment -0.118 0.227 0.23 -0.136 0.222 0.21 -0.327 -0.07391756097561 -0.092673231611845 0.1953 0.6125 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N10 mock treatment -0.244 0.101 0.1 -0.341 0.0166 0.02 -0.303 -0.04991756097561 -0.0625835272259255 0.0308 0.2577 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N11 compound treatment 0.335 0.68 0.68 -0.401 -0.0434 -0.04 -0.102 0.15108243902439 0.18941774700615 0.4765 0.6776 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N12 mock treatment -0.208 0.137 0.14 0.338 0.696 0.64 -0.112 0.14108243902439 0.176880370178683 0.5527 0.8107 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N13 mock treatment 0.134 0.479 0.48 -0.038 0.32 0.3 -0.132 0.12108243902439 0.15180561652375 0.5335 0.9184 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N14 mock treatment -0.062 0.283 0.28 -0.304 0.0536 0.05 -0.271 -0.01791756097561 -0.022463921378033 0.1782 0.6216 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N15 compound treatment -0.034 0.311 0.31 0.258 0.616 0.57 0.031 0.28408243902439 0.356164858811453 0.7133 0.9641 3616695 ACon1_002442 COc1cc2nc3occc3c(OC)c2cc1OCC(O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N16 mock treatment 0.139 0.484 0.48 -0.082 0.276 0.26 -0.024 0.22908243902439 0.287209286260388 0.591 0.9597 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N17 compound treatment 0.077 0.422 0.42 -0.13 0.228 0.21 -0.087 0.16608243902439 0.208223812247349 0.4842 0.9426 3559633 ACon1_002443 C/C(=C/CCC(C)(O)C=C)/CCC(=O)C(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N18 mock treatment 0.095 0.44 0.44 0.034 0.392 0.36 -0.044 0.20908243902439 0.262134532605455 0.6133 0.98 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N19 compound treatment 0.191 0.536 0.53 0.777 1.13 1.05 0.669 0.92208243902439 1.15604950040381 1.5817 0.9583 3558393 ACon1_002444 CC(C)C1CCC(=CCCC2(C)OC2C1OC3OC(COC(=O)C)C(O)C(O)C3O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N20 mock treatment -0.151 0.194 0.19 -0.191 0.167 0.15 -0.3 -0.04691756097561 -0.0588223141776856 0.1665 0.6557 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N21 compound treatment -0.302 0.0431 0.04 -0.342 0.0156 0.01 -0.252 0.00108243902438998 0.00135709459415323 0.0338 0.7487 3558493 ACon1_002445 COc1cc(CC2COC(C2COC(=O)/C=C/c3ccc(O)cc3)c4ccc(O)c(OC)c4)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N22 mock treatment -0.326 0.0191 0.02 -0.412 -0.0544 -0.05 -0.148 0.10508243902439 0.131745813599804 0.0579 0.4071 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N23 mock treatment -0.657 -0.312 -0.31 -0.234 0.124 0.11 -0.255 -0.00191756097561002 -0.0024041184540867 -0.1144 -0.3459 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 N24 mock treatment -0.297 0.0481 0.05 -0.154 0.204 0.19 -0.03 0.22308243902439 0.279686860163908 0.2979 0.8745 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O01 compound treatment -0.157 0.188 0.19 0.2 0.558 0.52 -0.075 0.17808243902439 0.223268664440309 0.5349 0.9024 3557529 ACon1_002446 COc1cc(OC)c2C(=O)CC(Oc2c1O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O02 compound treatment 0.924 1.27 1.26 -0.244 0.114 0.11 0.309 0.56208243902439 0.704703934615019 1.196 0.8254 3559907 ACon1_002447 CC1(C2CC3CC21)C3(C)CCC(O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O03 compound treatment 0.706 1.05 1.04 0.797 1.15 1.07 0.157 0.41008243902439 0.51413580683753 1.5174 0.9598 3559525 ACon1_002448 O[C@]12CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC(=O)C1=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O04 compound treatment 1.272 1.62 1.42 -0.056 0.302 0.28 0.163 0.41608243902439 0.52165823293401 1.2839 0.8332 3559658 ACon1_002449 COc1ccc(CCC(=O)c2ccc(OC)cc2O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O05 compound treatment -0.111 0.234 0.23 -0.007 0.351 0.32 0.057 0.31008243902439 0.388762038562866 0.5462 0.98 360 ACon1_002450 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O06 compound treatment 0.287 0.632 0.63 -0.742 -0.384 -0.36 -0.036 0.21708243902439 0.272164434067428 0.3144 0.4074 3555974 ACon1_002451 OCCCCCCC(C(=O)O)C(=C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O07 compound treatment -0.092 0.253 0.25 -0.458 -0.1 -0.09 -0.462 -0.20891756097561 -0.261927818782642 -0.0596 -0.1591 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O08 compound treatment 0.247 0.592 0.59 -0.058 0.3 0.28 0.043 0.29608243902439 0.371209711004413 0.7143 0.9535 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O09 compound treatment 0.54 0.885 0.88 0.158 0.516 0.48 0.445 0.69808243902439 0.875212259468563 1.289 0.9693 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O10 compound treatment -0.028 0.317 0.32 -0.041 0.317 0.29 -0.379 -0.12591756097561 -0.15786759111467 0.2601 0.5673 3616698 ACon1_002455 CC1CCC(O)C2C=CC(C)(O)C(C)(C12)C(=O)CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O11 mock treatment -0.17 0.175 0.17 -0.145 0.213 0.2 -0.084 0.16908243902439 0.211985025295589 0.3365 0.9968 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O12 mock treatment 1.116 1.46 1.38 0.39 0.748 0.69 0.176 0.42908243902439 0.537956822809716 1.5047 0.9222 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O13 compound treatment 0.768 1.11 1.11 0.077 0.435 0.4 0.452 0.70508243902439 0.883988423247789 1.3816 0.9383 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O14 compound treatment 0.9 1.25 1.24 0.531 0.889 0.82 0.702 0.95508243902439 1.19742284393445 1.881 0.9855 3559702 ACon1_002457 O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O15 compound treatment 0.325 0.67 0.67 0.529 0.887 0.82 0.336 0.58908243902439 0.738554852049179 1.285 0.9964 3553713 ACon1_002458 CC(CCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O16 compound treatment 1.42 1.77 1.46 -0.394 -0.0364 -0.03 -0.035 0.21808243902439 0.273418171750175 0.9826 0.6604 3553071 ACon1_002459 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C(C)C)C[C@]12CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O17 compound treatment 0.134 0.479 0.48 1.21 1.57 1.32 0.202 0.45508243902439 0.570554002561129 1.366 0.9022 3553691 ACon1_002460 CC(CC(=O)N)OC(=O)c1cc(Cl)cc(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O18 compound treatment -0.317 0.0281 0.03 -1.205 -0.847 -0.78 -0.948 -0.69491756097561 -0.87124433259751 -0.9399 -0.8014 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O19 compound treatment -0.35 -0.00493 0.0 -0.603 -0.245 -0.23 -0.666 -0.41291756097561 -0.517690306062957 -0.4329 -0.7657 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O20 compound treatment 0.346 0.691 0.69 -0.067 0.291 0.27 0.18 0.43308243902439 0.542971773540703 0.8655 0.9448 1017609 ACon1_002463 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O21 compound treatment 0.078 0.423 0.42 0.275 0.633 0.59 0.027 0.28008243902439 0.351149908080466 0.7838 0.9772 3554292 ACon1_002464 CCCCCCCC(O)C(O)C1CC(=CC(=O)O1)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O22 compound treatment -0.515 -0.17 -0.17 -0.645 -0.287 -0.27 -0.554 -0.30091756097561 -0.377271685595333 -0.469 -0.954 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O23 compound treatment -0.717 -0.372 -0.37 -0.642 -0.284 -0.26 -0.299 -0.04591756097561 -0.0575685764949389 -0.3988 -0.8714 3616706 ACon1_002466 CC1CC(=O)c2cc(O)c(O)cc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 O24 compound treatment 0.138 0.483 0.48 -0.27 0.0876 0.08 -0.147 0.10608243902439 0.132999551282551 0.4009 0.794 3615046 ACon1_002467 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P01 compound treatment 0.097 0.442 0.44 -0.036 0.322 0.3 0.002 0.25508243902439 0.3198064660118 0.6103 0.9847 3616709 ACon1_002468 C[C@@]1(CCC2C(=CCC3[C@@](C)(CCC[C@]23C)C(=O)O)C1)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P02 mock treatment -0.173 0.172 0.17 0.222 0.58 0.54 0.728 0.98108243902439 1.23002002368586 1.1188 0.827 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P03 compound treatment -0.348 -0.00293 0.0 -0.253 0.105 0.1 -0.28 -0.02691756097561 -0.0337475605227528 0.0348 0.3387 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P04 mock treatment -1.237 -0.892 -0.89 -0.319 0.0386 0.04 -0.769 -0.51591756097561 -0.646825287385861 -0.8648 -0.7875 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P05 compound treatment 1.713 2.06 1.53 1.341 1.7 1.35 0.601 0.85408243902439 1.07079533797704 2.282 0.9899 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P06 mock treatment -0.252 0.0931 0.09 -0.338 0.0196 0.02 0.095 0.34808243902439 0.436404070507238 0.3159 0.7075 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P07 compound treatment 0.081 0.426 0.42 0.392 0.75 0.69 0.386 0.63908243902439 0.801241736186511 1.1079 0.9705 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P08 mock treatment -0.148 0.197 0.2 0.262 0.62 0.57 -0.272 -0.01891756097561 -0.0237176590607796 0.4307 0.7098 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P09 compound treatment -0.083 0.262 0.26 0.176 0.534 0.49 -0.081 0.17208243902439 0.215746238343829 0.5602 0.9356 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P10 mock treatment -0.412 -0.0669 -0.07 -0.095 0.263 0.24 0.072 0.32508243902439 0.407568103804065 0.3373 0.7038 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P11 mock treatment -0.125 0.22 0.22 -0.173 0.185 0.17 -0.094 0.15908243902439 0.199447648468123 0.3402 0.995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P12 mock treatment -0.547 -0.202 -0.2 -0.302 0.0556 0.05 -0.312 -0.05891756097561 -0.0738671663706453 -0.1288 -0.5855 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P13 compound treatment -0.281 0.0641 0.06 -0.089 0.269 0.25 0.153 0.40608243902439 0.509120856106543 0.4743 0.8318 3616724 ACon1_002473 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P14 mock treatment 0.004 0.349 0.35 0.403 0.761 0.7 0.39 0.64308243902439 0.806256686917498 1.0725 0.953 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P15 compound treatment 0.406 0.751 0.75 0.04 0.398 0.37 0.231 0.48408243902439 0.606912395360781 0.9941 0.9649 3616725 ACon1_002474 CCCCCc1cc(OC)c2CC(O)C(C)(C)Oc2c1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P16 mock treatment -0.142 0.203 0.2 -0.066 0.292 0.27 -0.178 0.07508243902439 0.0941336831174048 0.3268 0.9336 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P17 compound treatment -0.284 0.0611 0.06 -0.186 0.172 0.16 -0.07 0.18308243902439 0.229537352854042 0.2593 0.9077 1001668 ACon1_002475 CC(=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P18 mock treatment -0.31 0.0351 0.03 -0.351 0.00661 0.01 -0.347 -0.09391756097561 -0.117747985266778 -0.0443 -0.3605 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P19 compound treatment 2.833 3.18 1.7 1.771 2.13 1.44 1.316 1.56908243902439 1.70941692448462 2.8017 0.9971 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P20 mock treatment -0.172 0.173 0.17 -0.129 0.229 0.21 0.149 0.40208243902439 0.504105905375557 0.5126 0.8943 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P21 compound treatment 0.563 0.908 0.9 0.114 0.472 0.44 0.226 0.47908243902439 0.600643706947048 1.1201 0.9582 3559753 ACon1_002477 COC1=CC2(CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc42)C3=CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P22 mock treatment 0.003 0.348 0.35 0.043 0.401 0.37 0.115 0.36808243902439 0.461478824162171 0.6804 0.9921 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P23 mock treatment -0.536 -0.191 -0.19 -0.1 0.258 0.24 -0.291 -0.03791756097561 -0.0475386750329658 7.0E-4 0.0022 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2297 P24 mock treatment -0.16 0.185 0.18 -0.029 0.329 0.3 0.034 0.28708243902439 0.359926071859693 0.4897 0.9679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A01 compound treatment -0.605 -0.26 -0.26 -1.886 -1.53 -1.42 -1.09 -0.83691756097561 -1.04927508354753 -1.5721 -0.8829 3561417 BPBio1_000001 CS(=O)(=O)Nc1ccc(Cc2noc(n2)c3ccc4[nH]cc(CCN)c4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A02 compound treatment -0.357 -0.0119 -0.01 -0.365 -0.00739 -0.01 -0.118 0.13508243902439 0.169357944082203 0.087 0.5119 3614564 BPBio1_000002 CN(C)CCCc1cc(ccc1O)C(=O)Nc2ccc(cc2)c3ccncc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A03 compound treatment 0.191 0.536 0.53 0.19 0.548 0.51 0.204 0.45708243902439 0.573061477926622 0.9313 0.9987 1164875 BPBio1_000003 Nc1nc2[nH]nnc2c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A04 compound treatment -0.217 0.128 0.13 0.394 0.752 0.7 0.11 0.36308243902439 0.455210135748438 0.7381 0.8774 683 BPBio1_000004 Cc1ncc([N+](=O)[O-])n1CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A05 compound treatment 0.136 0.481 0.48 0.599 0.957 0.89 -0.055 0.19808243902439 0.248343418095242 0.9309 0.8978 923 BPBio1_000005 NC(=O)NC1NC(=O)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A06 compound treatment -0.203 0.142 0.14 -0.193 0.165 0.15 -0.084 0.16908243902439 0.211985025295589 0.2919 0.9834 1449 BPBio1_000006 CN1[C@@H](CCC1=O)c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A07 compound treatment 0.123 0.468 0.47 0.387 0.745 0.69 0.206 0.45908243902439 0.575568953292115 0.999 0.9876 692 BPBio1_000007 CC(=O)Nc1nnc(s1)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A08 compound treatment -0.512 -0.167 -0.17 -0.142 0.216 0.2 -0.02 0.23308243902439 0.292224236991374 0.1882 0.4814 1402 BPBio1_000008 CC[N+](C)(C)c1cccc(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A09 compound treatment -0.499 -0.154 -0.15 -0.649 -0.291 -0.27 -0.011 0.24208243902439 0.303507876136094 -0.0689 -0.1588 1714 BPBio1_000009 CN(C)C(=N)NC(=N)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A10 compound treatment 4.531 4.88 1.84 6.307 6.66 1.8 2.776 3.02908243902439 2.07245139886094 3.2985 0.998 1029858 BPBio1_000010 NC(=N)NC(=N)N1CCOCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A11 compound treatment -0.281 0.0641 0.06 -0.255 0.103 0.1 -0.277 -0.02391756097561 -0.0299863474745129 0.0743 0.6285 3221455 BPBio1_000011 COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A12 compound treatment -0.033 0.312 0.31 0.461 0.819 0.76 -0.327 -0.07391756097561 -0.092673231611845 0.5632 0.6833 678 BPBio1_000012 NCC(CC(=O)O)c1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A13 compound treatment -0.128 0.217 0.22 -0.867 -0.509 -0.47 -0.551 -0.29791756097561 -0.373510472547093 -0.3634 -0.5685 3064163 BPBio1_000013 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A14 compound treatment 0.177 0.522 0.52 0.019 0.377 0.35 0.7 0.95308243902439 1.19491536856896 1.1909 0.883 839 BPBio1_000014 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A15 compound treatment -0.025 0.32 0.32 -0.117 0.241 0.22 -0.07 0.18308243902439 0.229537352854042 0.4449 0.986 1000042 BPBio1_000015 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A16 compound treatment 0.039 0.384 0.38 -0.166 0.192 0.18 -0.227 0.02608243902439 0.0327005366628193 0.3418 0.8093 35 BPBio1_000016 CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A17 compound treatment 0.594 0.939 0.93 0.242 0.6 0.56 0.675 0.92808243902439 1.16357192650029 1.5313 0.962 807 BPBio1_000017 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A18 compound treatment 0.249 0.594 0.59 0.086 0.444 0.41 0.159 0.41208243902439 0.516643282203023 0.8764 0.9895 1090166 BPBio1_000018 CN(C)c1c(C)n(C)n(c2ccccc2)c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A19 compound treatment -0.287 0.0581 0.06 -0.35 0.00761 0.01 -0.383 -0.12991756097561 -0.162882541845657 -0.0566 -0.3275 931 BPBio1_000019 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A20 compound treatment 0.346 0.691 0.69 0.123 0.481 0.45 0.238 0.49108243902439 0.615688559140008 1.0091 0.9851 3616486 BPBio1_000020 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A21 compound treatment -0.667 -0.322 -0.32 -0.571 -0.213 -0.2 -0.197 0.05608243902439 0.0703126671452185 -0.2583 -0.6749 1241 BPBio1_000021 NC(=N)NS(=O)(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A22 compound treatment 1.52 1.87 1.49 2.196 2.55 1.51 1.216 1.46908243902439 1.66945240063448 2.6949 0.9986 1428 BPBio1_000022 CC(C)NCC(O)COc1cccc2[nH]ccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A23 mock treatment 0.045 0.39 0.39 -0.291 0.0666 0.06 -0.129 0.12408243902439 0.15556682957199 0.3493 0.8271 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 A24 mock treatment -0.209 0.136 0.14 0.235 0.593 0.55 0.019 0.27208243902439 0.341120006618493 0.5919 0.8966 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B01 compound treatment -0.135 0.21 0.21 -0.417 -0.0594 -0.05 0.518 0.77108243902439 0.966735110309068 0.647 0.6531 3176924 BPBio1_000023 CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B02 compound treatment 1.048 1.39 1.35 0.87 1.23 1.14 3.57 3.82308243902439 2.18225960749496 2.6978 0.9606 3614583 BPBio1_000024 CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B03 compound treatment 0.265 0.61 0.61 0.852 1.21 1.12 0.56 0.81308243902439 1.01939209298443 1.5854 0.9718 735 BPBio1_000025 NNC(=O)c1ccncc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B04 compound treatment -0.016 0.329 0.33 -0.169 0.189 0.17 -0.351 -0.09791756097561 -0.122762935997764 0.2188 0.5602 1425 BPBio1_000026 CC(N)COc1c(C)cccc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B05 compound treatment 0.632 0.977 0.97 0.773 1.13 1.05 0.548 0.80108243902439 1.00434724079147 1.7451 0.9995 1008060 BPBio1_000027 C1CCc2nnnn2CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B06 compound treatment 0.466 0.811 0.81 -0.057 0.301 0.28 0.146 0.39908243902439 0.500344692327317 0.9151 0.9254 3101 BPBio1_000028 Cc1c(oc2c(cccc2c1=O)C(=O)OCCN3CCCCC3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B07 compound treatment -0.457 -0.112 -0.11 -0.539 -0.181 -0.17 -0.521 -0.26791756097561 -0.335898342064694 -0.3551 -0.9067 1480 BPBio1_000029 Clc1ccc2oc(=O)[nH]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B08 compound treatment -1.488 -1.14 -1.14 -2.427 -2.07 -1.92 -1.443 -1.18991756097561 -1.4918444855571 -2.6236 -0.9786 769 BPBio1_000030 CCCCOc1ccc(CC(=O)NO)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B09 compound treatment 0.58 0.925 0.92 0.038 0.396 0.37 -0.008 0.24508243902439 0.307269089184334 0.9199 0.8874 1054660 BPBio1_000031 Cc1ncc([N+](=O)[O-])n1CC(O)CCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B10 compound treatment -0.687 -0.342 -0.34 -1.086 -0.728 -0.67 -0.699 -0.44591756097561 -0.559063649593596 -0.9084 -0.9668 1469 BPBio1_000032 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B11 compound treatment -0.673 -0.328 -0.33 -0.325 0.0326 0.03 -0.108 0.14508243902439 0.18189532090967 -0.0658 -0.1756 869 BPBio1_000033 CCC1(C)CC(=O)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B12 compound treatment 2.485 2.83 1.66 2.477 2.83 1.55 1.351 1.60408243902439 1.72268661196178 2.8456 0.9991 858 BPBio1_000034 OCC(O)CN1CCN(CC1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B13 compound treatment -0.312 0.0331 0.03 -0.436 -0.0784 -0.07 0.864 1.11708243902439 1.40052834853941 0.7857 0.5601 997 BPBio1_000035 NCc1ccc(cc1)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B14 compound treatment 0.231 0.576 0.57 0.633 0.991 0.92 0.504 0.75708243902439 0.949182782750615 1.4082 0.9787 3173239 BPBio1_000036 CC(N/C(=N/C#N)/Nc1ccncc1)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B15 compound treatment -0.742 -0.397 -0.39 -2.293 -1.94 -1.79 -1.39 -1.13691756097561 -1.42539638837153 -2.0854 -0.8975 399 BPBio1_000037 Nc1nc2ccc(OC(F)(F)F)cc2s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B16 compound treatment -0.004 0.341 0.34 0.366 0.724 0.67 -0.281 -0.02791756097561 -0.0350012982054994 0.5624 0.7481 1185085 BPBio1_000038 CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B17 compound treatment -0.221 0.124 0.12 0.026 0.384 0.36 0.057 0.31008243902439 0.388762038562866 0.5007 0.9258 3173466 BPBio1_000039 [O-][N+](=O)c1ccc(/C=N/N2CC(=O)NC2=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B18 compound treatment -0.382 -0.0369 -0.04 -0.062 0.296 0.27 0.256 0.50908243902439 0.638255837429447 0.5053 0.7266 3616606 BPBio1_000040 Clc1cccc(Cl)c1NC2=NCCN2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B19 compound treatment -0.042 0.303 0.3 -0.073 0.285 0.26 -0.306 -0.05291756097561 -0.0663447402741654 0.2878 0.7093 3616534 BPBio1_000041 N/N=C/1\N=NC=C2C=CC=CC12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B20 compound treatment -0.453 -0.108 -0.11 -0.965 -0.607 -0.56 -0.599 -0.34591756097561 -0.433689881318932 -0.6371 -0.8869 1101055 BPBio1_000042 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B21 compound treatment -0.666 -0.321 -0.32 -0.779 -0.421 -0.39 -0.283 -0.02991756097561 -0.0375087735709926 -0.4311 -0.853 3273 BPBio1_000043 NNCCc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B22 compound treatment 0.994 1.34 1.33 1.161 1.52 1.31 0.395 0.64808243902439 0.812525375331231 1.9915 0.9791 690 BPBio1_000044 CC(C)NCC(O)COc1ccccc1CC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B23 mock treatment 0.184 0.529 0.53 0.146 0.504 0.47 0.096 0.34908243902439 0.437657808189985 0.8256 0.997 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 B24 mock treatment -0.293 0.0521 0.05 0.377 0.735 0.68 0.105 0.35808243902439 0.448941447334704 0.6818 0.8349 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C01 compound treatment -0.061 0.284 0.28 0.626 0.984 0.91 -0.703 -0.44991756097561 -0.564078600324582 0.3632 0.3278 3560538 BPBio1_000045 O=C1CC2(CCCC2)CC(=O)N1CCNCC3COc4ccccc4O3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C02 compound treatment -0.122 0.223 0.22 0.446 0.804 0.74 0.671 0.92408243902439 1.1585569757693 1.2265 0.8794 3559954 BPBio1_000046 CC(C)NCC(O)COc1ccccc1n2cccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C03 compound treatment -0.047 0.298 0.3 -0.104 0.254 0.23 -0.018 0.23508243902439 0.294731712356868 0.4768 0.9946 2898 BPBio1_000047 Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C04 compound treatment 2.621 2.97 1.67 0.137 0.495 0.46 0.524 0.77708243902439 0.974257536405548 1.7937 0.901 715 BPBio1_000048 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C05 compound treatment 0.181 0.526 0.52 0.174 0.532 0.49 0.747 1.00008243902439 1.25384103965805 1.3101 0.9066 3188932 BPBio1_000049 CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C06 compound treatment 0.319 0.664 0.66 0.031 0.389 0.36 0.419 0.67208243902439 0.84261507971715 1.0754 0.9523 3616489 BPBio1_000050 CN(C)C/C=C(\c1ccc(Br)cc1)/c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C07 compound treatment -0.335 0.0101 0.01 -0.529 -0.171 -0.16 -0.476 -0.22291756097561 -0.279480146341095 -0.2472 -0.7688 1131 BPBio1_000051 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C08 compound treatment 0.102 0.447 0.44 0.412 0.77 0.71 -0.169 0.08408243902439 0.105417322262125 0.7289 0.8611 1451360 BPBio1_000052 OC(C1CCNCC1)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C09 compound treatment -0.377 -0.0319 -0.03 -0.125 0.233 0.22 -0.151 0.10208243902439 0.127984600551564 0.1799 0.7124 878 BPBio1_000053 CC(=O)NS(=O)(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C10 compound treatment 0.27 0.615 0.61 -0.099 0.259 0.24 -0.347 -0.09391756097561 -0.117747985266778 0.4233 0.6345 1865021 BPBio1_000054 Cn1cnc([N+](=O)[O-])c1Sc2ncnc3[nH]cnc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C11 compound treatment 0.477 0.822 0.82 0.017 0.375 0.35 -0.113 0.14008243902439 0.175626632495937 0.7735 0.8547 1507 BPBio1_000055 CC(N)CCCC(C)(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C12 compound treatment 0.595 0.94 0.93 0.124 0.482 0.45 0.243 0.49608243902439 0.621957247553741 1.1561 0.9571 3069004 BPBio1_000056 C[C@@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]2CC[C@@]1(O)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C13 compound treatment 0.037 0.382 0.38 -0.609 -0.251 -0.23 -0.223 0.03008243902439 0.0377154873938059 0.1067 0.2386 1175 BPBio1_000057 Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C14 compound treatment 0.724 1.07 1.06 0.67 1.03 0.95 -0.554 -0.30091756097561 -0.377271685595333 0.9452 0.6405 3060090 BPBio1_000058 NC(=N)N/N=C/c1c(Cl)cccc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C15 compound treatment -0.005 0.34 0.34 -0.119 0.239 0.22 -0.133 0.12008243902439 0.150551878841004 0.4097 0.9505 1079 BPBio1_000059 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C16 compound treatment 0.413 0.758 0.75 -0.095 0.263 0.24 0.187 0.44008243902439 0.551747937319929 0.8941 0.9263 2038 BPBio1_000060 CCN(CC)C(=S)SSC(=S)N(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C17 compound treatment 0.081 0.426 0.42 -0.263 0.0946 0.09 -0.065 0.18808243902439 0.235806041267775 0.4313 0.8754 2651 BPBio1_000061 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(=O)[nH]c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C18 compound treatment -0.256 0.0891 0.09 -0.349 0.00861 0.01 0.571 0.82408243902439 1.03318320749464 0.6522 0.629 2060486 BPBio1_000062 CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C19 compound treatment 0.62 0.965 0.96 0.915 1.27 1.18 0.807 1.06008243902439 1.32906530062285 2.0016 0.9915 861 BPBio1_000063 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C20 compound treatment 0.272 0.617 0.61 0.138 0.496 0.46 0.044 0.29708243902439 0.372463448687159 0.8342 0.9792 1434 BPBio1_000064 CN1CCN2C(C1)c3ccccc3Cc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C21 compound treatment -0.105 0.24 0.24 0.084 0.442 0.41 0.049 0.30208243902439 0.378732137100893 0.5925 0.9773 3616456 BPBio1_000065 Nc1cc(nc(=N)n1O)N2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C22 compound treatment -0.769 -0.424 -0.42 -0.196 0.162 0.15 -0.114 0.13908243902439 0.17437289481319 -0.0563 -0.1172 440 BPBio1_000066 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C23 mock treatment 0.079 0.424 0.42 0.04 0.398 0.37 -0.132 0.12108243902439 0.15180561652375 0.5436 0.9374 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 C24 mock treatment -0.527 -0.182 -0.18 -0.695 -0.337 -0.31 -0.26 -0.00691756097561003 -0.00867280686781992 -0.2898 -0.8026 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D01 compound treatment -1.003 -0.658 -0.65 -0.638 -0.28 -0.26 -0.685 -0.43191756097561 -0.541511322035143 -0.8402 -0.9462 836181 BPBio1_000067 Clc1cccc(c1)N2CCNCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D02 compound treatment -1.321 -0.976 -0.97 -1.306 -0.948 -0.88 -0.745 -0.49191756097561 -0.616735582999941 -1.4232 -0.9838 3614588 BPBio1_000068 COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D03 compound treatment 0.454 0.799 0.79 0.516 0.874 0.81 1.01 1.26308243902439 1.57601070658073 1.8356 0.9455 1262 BPBio1_000069 NC[C@H]1CC[C@@H](CC1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D04 compound treatment -0.337 0.00807 0.01 0.094 0.452 0.42 -0.36 -0.10691756097561 -0.134046575142484 0.1687 0.384 1282 BPBio1_000070 NS(=O)(=O)c1cc2c(N=CNS2(=O)=O)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D05 compound treatment 0.19 0.535 0.53 0.332 0.69 0.64 0.295 0.54808243902439 0.687151607056566 1.0725 0.9946 718 BPBio1_000071 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D06 compound treatment -0.149 0.196 0.19 -0.31 0.0476 0.04 -0.058 0.19508243902439 0.244582205047002 0.2792 0.884 3036 BPBio1_000072 OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D07 compound treatment -0.292 0.0531 0.05 0.005 0.363 0.34 -0.18 0.07308243902439 0.0916262077519115 0.2772 0.7875 3616541 BPBio1_000073 N[C@H]1C[C@@H]1c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D08 compound treatment -0.206 0.139 0.14 0.046 0.404 0.37 -0.201 0.05208243902439 0.065297716414232 0.3333 0.8254 1000286 BPBio1_000074 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D09 compound treatment 0.088 0.433 0.43 -0.251 0.107 0.1 -0.055 0.19808243902439 0.248343418095242 0.4489 0.886 3256 BPBio1_000075 CCN(CCCc1ccccc1)CCCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D10 compound treatment -1.123 -0.778 -0.77 -0.591 -0.233 -0.22 -0.904 -0.65091756097561 -0.816079874556658 -1.0425 -0.9105 809 BPBio1_000076 CNCCC=C1c2ccccc2CCc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D11 compound treatment -0.625 -0.28 -0.28 -0.176 0.182 0.17 -0.262 -0.00891756097561003 -0.0111802822333132 -0.07 -0.2153 3069075 BPBio1_000077 OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D12 compound treatment -1.451 -1.11 -1.1 -0.774 -0.416 -0.39 -0.639 -0.38591756097561 -0.483839388628797 -1.1367 -0.901 112 BPBio1_000078 OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D13 compound treatment 0.288 0.633 0.63 0.802 1.16 1.07 0.247 0.50008243902439 0.626972198284728 1.3453 0.9653 780 BPBio1_000079 CC(C)NNC(=O)c1ccncc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D14 compound treatment 0.215 0.56 0.56 -0.018 0.34 0.31 0.125 0.37808243902439 0.474016200989637 0.7767 0.9758 1000009 BPBio1_000080 C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D15 compound treatment 0.009 0.354 0.35 -0.042 0.316 0.29 0.005 0.25808243902439 0.32356767906004 0.5588 0.9972 1256 BPBio1_000081 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D16 compound treatment 0.19 0.535 0.53 0.151 0.509 0.47 0.179 0.43208243902439 0.541718035857956 0.8918 0.9982 104 BPBio1_000082 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D17 compound treatment -0.049 0.296 0.29 0.103 0.461 0.43 0.077 0.33008243902439 0.413836792217799 0.6551 0.9878 741 BPBio1_000083 Cc1ccccc1OCC(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D18 compound treatment -0.256 0.0891 0.09 -0.165 0.193 0.18 -0.037 0.21608243902439 0.270910696384681 0.3105 0.9235 746 BPBio1_000084 C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D19 compound treatment 0.131 0.476 0.47 -0.105 0.253 0.23 -0.096 0.15708243902439 0.196940173102629 0.522 0.9264 1018627 BPBio1_000085 NC(=N)NC(=N)NCCc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D20 compound treatment -0.747 -0.402 -0.4 -0.5 -0.142 -0.13 -0.499 -0.24591756097561 -0.308316113044267 -0.4848 -0.9294 1485 BPBio1_000086 CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D21 compound treatment 0.378 0.723 0.72 -0.435 -0.0774 -0.07 -0.007 0.24608243902439 0.308522826867081 0.5518 0.7024 1086 BPBio1_000087 CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(c1)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D22 compound treatment -0.226 0.119 0.12 0.217 0.575 0.53 -0.171 0.08208243902439 0.102909846896631 0.4349 0.7841 1000106 BPBio1_000088 O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D23 mock treatment -0.278 0.0671 0.07 -0.132 0.226 0.21 -0.341 -0.08791756097561 -0.110225559170298 0.0955 0.389 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 D24 mock treatment -0.084 0.261 0.26 -0.124 0.234 0.22 0.027 0.28008243902439 0.351149908080466 0.4775 0.9798 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E01 compound treatment 0.173 0.518 0.52 -0.396 -0.0384 -0.04 -0.118 0.13508243902439 0.169357944082203 0.3746 0.6895 3614557 BPBio1_000089 CN1C2CCC(Cn3ccnc3C)C(=O)C2c4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E02 compound treatment 0.4 0.745 0.74 0.964 1.32 1.22 0.447 0.70008243902439 0.877719734834056 1.6409 0.9778 3614567 BPBio1_000090 COc1ccccc1N2CCN(CCCCN3C(=O)CCC3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E03 compound treatment -0.142 0.203 0.2 -0.555 -0.197 -0.18 -0.117 0.13608243902439 0.17061168176495 0.1095 0.3409 944 BPBio1_000091 Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E04 compound treatment -0.047 0.298 0.3 0.11 0.468 0.43 -0.032 0.22108243902439 0.277179384798415 0.5811 0.9793 899 BPBio1_000092 CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E05 compound treatment 0.415 0.76 0.76 0.143 0.501 0.46 -0.434 -0.18091756097561 -0.226823163665736 0.5729 0.6261 3060 BPBio1_000093 CC(C)(CO)[C@@H](O)C(=O)NCCCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E06 compound treatment -0.139 0.206 0.2 0.378 0.736 0.68 -0.652 -0.39891756097561 -0.500137978504504 0.2228 0.2562 885 BPBio1_000094 Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E07 compound treatment -0.422 -0.0769 -0.08 -0.187 0.171 0.16 -0.125 0.12808243902439 0.160581780302977 0.1398 0.5875 1159 BPBio1_000095 Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E08 compound treatment 0.271 0.616 0.61 0.083 0.441 0.41 0.189 0.44208243902439 0.554255412685422 0.9092 0.9868 3326 BPBio1_000096 CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E09 compound treatment 1.166 1.51 1.39 1.362 1.72 1.36 0.78 1.03308243902439 1.29521438318869 2.3353 0.9996 3188934 BPBio1_000097 C[C@@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]2CC[C@@]1(O)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E10 compound treatment -0.199 0.146 0.15 0.036 0.394 0.36 0.007 0.26008243902439 0.326075154425534 0.4825 0.9459 3616496 BPBio1_000098 NC(=Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E11 compound treatment -0.199 0.146 0.15 -0.195 0.163 0.15 -0.022 0.23108243902439 0.289716761625881 0.338 0.946 1433 BPBio1_000099 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E12 compound treatment -0.127 0.218 0.22 -0.785 -0.427 -0.4 -0.248 0.00508243902438998 0.0063720453251398 -0.0996 -0.2208 3189048 BPBio1_000100 C[C@@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]2CC[C@@]1(O)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E13 compound treatment -0.447 -0.102 -0.1 -1.464 -1.11 -1.02 -0.862 -0.60891756097561 -0.763422891881299 -1.0907 -0.8511 3616459 BPBio1_000101 CN/C(=N/CCSCc1nc[nH]c1C)/NC#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E14 compound treatment 0.119 0.464 0.46 0.802 1.16 1.07 0.319 0.57208243902439 0.717241311442486 1.3004 0.9484 3169 BPBio1_000102 CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E15 compound treatment -0.238 0.107 0.11 -0.221 0.137 0.13 -0.049 0.20408243902439 0.255865844191722 0.2822 0.9264 1432 BPBio1_000103 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E16 compound treatment 0.261 0.606 0.6 0.49 0.848 0.78 0.547 0.80008243902439 1.00309350310872 1.3801 0.9795 3616497 BPBio1_000104 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[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)OC%101CC[C@H](C)CN%10 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E17 compound treatment -0.072 0.273 0.27 -0.654 -0.296 -0.27 -1.222 -0.96891756097561 -1.21476845767009 -0.7031 -0.5516 1000260 BPBio1_000105 CC[C@H](CO)NCCN[C@H](CC)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E18 compound treatment -0.073 0.272 0.27 0.144 0.502 0.46 -0.463 -0.20991756097561 -0.263181556465388 0.2724 0.4551 1386 BPBio1_000106 CN1CC(c2ccccc2)c3cccc(N)c3C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E19 compound treatment -0.124 0.221 0.22 -0.249 0.109 0.1 0.179 0.43208243902439 0.541718035857956 0.4977 0.839 1108 BPBio1_000107 Cc1cc(=O)n(c2ccccc2)n1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E20 compound treatment -0.396 -0.0509 -0.05 -0.369 -0.0114 -0.01 -0.272 -0.01891756097561 -0.0237176590607796 -0.049 -0.8614 907387 BPBio1_000108 C[C@@]1(N[C@@H]2Cc3ccccc31)c4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E21 compound treatment -0.358 -0.0129 -0.01 -0.356 0.00161 0.0 -0.11 0.14308243902439 0.179387845544176 0.097 0.5394 1079457 BPBio1_000109 Cc1c(O)c(=O)n(c2ccccc2)n1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E22 compound treatment -0.204 0.141 0.14 -0.126 0.232 0.21 -0.194 0.05908243902439 0.0740738801934585 0.2476 0.9281 3069006 BPBio1_000110 CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(O)c3ccccc3oc2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E23 mock treatment -0.143 0.202 0.2 0.016 0.374 0.35 -0.36 -0.10691756097561 -0.134046575142484 0.2383 0.5649 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 E24 mock treatment -0.115 0.23 0.23 0.226 0.584 0.54 0.017 0.27008243902439 0.338612531253 0.6395 0.944 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F01 compound treatment 0.108 0.453 0.45 0.606 0.964 0.89 0.448 0.70108243902439 0.878973472516803 1.2827 0.9637 1101182 BPBio1_000111 Clc1cncc(n1)N2CCNCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F02 compound treatment -0.239 0.106 0.11 -0.023 0.335 0.31 0.263 0.51608243902439 0.647032001208674 0.6133 0.8459 885651 BPBio1_000112 NC(=N)NC(=N)Nc1cccc(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F03 compound treatment -0.385 -0.0399 -0.04 -0.469 -0.111 -0.1 -0.303 -0.04991756097561 -0.0625835272259255 -0.1186 -0.9338 1081 BPBio1_000113 Cc1c(N)c(=O)n(c2ccccc2)n1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F04 compound treatment -0.495 -0.15 -0.15 -0.034 0.324 0.3 -0.359 -0.10591756097561 -0.132792837459737 0.0103 0.0285 3616617 BPBio1_000114 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@]1(O)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F05 compound treatment -0.033 0.312 0.31 -0.135 0.223 0.21 0.092 0.34508243902439 0.432642857458998 0.5479 0.9597 1000096 BPBio1_000115 C1CN2CC(N=C2S1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F06 compound treatment 0.048 0.393 0.39 0.016 0.374 0.35 0.435 0.68808243902439 0.862674882641096 0.9234 0.9158 938 BPBio1_000116 Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F07 compound treatment 0.033 0.378 0.38 -0.483 -0.125 -0.12 -0.536 -0.28291756097561 -0.354704407305893 -0.0548 -0.1035 719 BPBio1_000117 CN(CC#C)Cc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F08 compound treatment -0.105 0.24 0.24 -0.489 -0.131 -0.12 -0.036 0.21708243902439 0.272164434067428 0.2247 0.5884 3060494 BPBio1_000118 CN(C)CC/C=C/1\c2ccccc2COc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F09 compound treatment 0.076 0.421 0.42 -0.323 0.0346 0.03 -0.545 -0.29191756097561 -0.365988046450613 0.0489 0.0878 1062 BPBio1_000119 COc1ccccc1OCC(O)COC(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F10 compound treatment -0.208 0.137 0.14 -0.315 0.0426 0.04 0.625 0.87808243902439 1.10088504236296 0.737 0.664 1240 BPBio1_000120 CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F11 compound treatment 0.364 0.709 0.7 0.16 0.518 0.48 0.089 0.34208243902439 0.428881644410758 0.9313 0.976 3189063 BPBio1_000121 C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(N)n2)C(=O)N1S(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F12 compound treatment -0.151 0.194 0.19 0.332 0.69 0.64 0.083 0.33608243902439 0.421359218314278 0.7233 0.9168 3173092 BPBio1_000122 CN(C)CCOC(c1ccccc1)c2ccccc2.Cn1c(=O)n(C)c2nc(Cl)[nH]c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F13 compound treatment -0.63 -0.285 -0.28 -1.172 -0.814 -0.75 -1.501 -1.24791756097561 -1.5645612711564 -1.5022 -0.8537 1337 BPBio1_000123 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F14 compound treatment 0.93 1.28 1.27 0.103 0.461 0.43 0.409 0.66208243902439 0.830077702889684 1.4574 0.9258 1112 BPBio1_000124 CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F15 compound treatment -0.244 0.101 0.1 -1.054 -0.696 -0.64 -0.221 0.03208243902439 0.0402229627592991 -0.2911 -0.4451 724 BPBio1_000125 CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F16 compound treatment -0.4 -0.0549 -0.05 -0.58 -0.222 -0.21 -0.471 -0.21791756097561 -0.273211457927361 -0.3082 -0.8895 1272 BPBio1_000126 Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F17 compound treatment -0.222 0.123 0.12 -0.531 -0.173 -0.16 -0.372 -0.11891756097561 -0.149091427335444 -0.1081 -0.4309 3061416 BPBio1_000127 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O[C@H]([C@@H](O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F18 compound treatment 0.285 0.63 0.63 0.188 0.546 0.51 1.097 1.35008243902439 1.61748074311827 1.5872 0.8785 2359 BPBio1_000128 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@@H]32)n1c5ccccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F19 compound treatment 0.177 0.522 0.52 -0.515 -0.157 -0.15 -0.403 -0.14991756097561 -0.18795729550059 0.107 0.1874 1300191 BPBio1_000129 C(Nc1ncnc2nc[nH]c12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F20 compound treatment -0.102 0.243 0.24 -0.112 0.246 0.23 -0.396 -0.14291756097561 -0.179181131721363 0.1674 0.4438 1393 BPBio1_000130 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F21 compound treatment 0.104 0.449 0.45 0.172 0.53 0.49 0.642 0.89508243902439 1.12219858296965 1.1888 0.912 198 BPBio1_000131 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F22 compound treatment -1.822 -1.48 -1.47 -1.842 -1.48 -1.37 -1.039 -0.78591756097561 -0.985334461727454 -2.2102 -0.9868 1215 BPBio1_000132 CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F23 mock treatment -0.06 0.285 0.28 -0.169 0.189 0.17 -0.043 0.21008243902439 0.263388270288202 0.4165 0.9812 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 F24 mock treatment -0.098 0.247 0.25 -0.298 0.0596 0.06 0.03 0.28308243902439 0.354911121128706 0.3786 0.8701 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G01 compound treatment -1.165 -0.82 -0.82 -2.855 -2.5 -2.31 -0.331 -0.07791756097561 -0.0976881823428315 -1.8621 -0.7589 907439 BPBio1_000133 CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G02 compound treatment -0.436 -0.0909 -0.09 0.338 0.696 0.64 0.604 0.85708243902439 1.07455655102528 0.9401 0.7484 3560511 BPBio1_000134 COc1ccc(NC(=O)c2ccc(cc2)c3ccc(cc3C)c4noc(C)n4)cc1OCCN(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G03 compound treatment 0.114 0.459 0.46 0.182 0.54 0.5 0.233 0.48608243902439 0.609419870726275 0.9038 0.9925 1160 BPBio1_000135 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G04 compound treatment 0.428 0.773 0.77 0.239 0.597 0.55 0.026 0.27908243902439 0.34989617039772 0.9647 0.956 929 BPBio1_000136 Oc1ccc2C[C@H]3N(CC=C)CC[C@]4([C@H]5Oc1c24)[C@@]3(O)CCC5=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G05 compound treatment -0.248 0.0971 0.1 -0.024 0.334 0.31 0.1 0.35308243902439 0.442672758920971 0.4896 0.8929 2702 BPBio1_000137 COc1cc(C)nn1c2nc(C)cc(OC)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G06 compound treatment -0.149 0.196 0.19 -0.175 0.183 0.17 -0.219 0.03408243902439 0.0427304381247924 0.2348 0.8978 918 BPBio1_000138 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G07 compound treatment -0.15 0.195 0.19 -0.099 0.259 0.24 -0.114 0.13908243902439 0.17437289481319 0.3509 0.9911 697 BPBio1_000139 Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G08 compound treatment 0.104 0.449 0.45 0.266 0.624 0.58 -0.36 -0.10691756097561 -0.134046575142484 0.5137 0.6923 757 BPBio1_000140 OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G09 compound treatment 0.262 0.607 0.6 0.648 1.01 0.93 0.55 0.80308243902439 1.00685471615696 1.4673 0.9793 1061 BPBio1_000141 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G10 compound treatment 1.619 1.96 1.51 1.297 1.65 1.34 0.658 0.91108243902439 1.1422583858936 2.3054 0.9937 1092 BPBio1_000142 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G11 compound treatment -0.561 -0.216 -0.21 -0.335 0.0226 0.02 -0.215 0.03808243902439 0.047745388855779 -0.0843 -0.3815 1186 BPBio1_000143 Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G12 compound treatment -0.203 0.142 0.14 -0.105 0.253 0.23 0.152 0.40508243902439 0.507867118423797 0.5098 0.884 1261 BPBio1_000144 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G13 compound treatment -0.363 -0.0179 -0.02 -0.195 0.163 0.15 -0.51 -0.25691756097561 -0.32210722755448 -0.1093 -0.3071 3616468 BPBio1_000145 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G14 compound treatment -0.051 0.294 0.29 0.13 0.488 0.45 -0.017 0.23608243902439 0.295985450039614 0.6004 0.9779 3189051 BPBio1_000146 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]5([C@H]6Oc1c25)[C@@]3(O)CCC6=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G15 compound treatment -0.124 0.221 0.22 -0.169 0.189 0.17 -0.272 -0.01891756097561 -0.0237176590607796 0.214 0.7597 1259 BPBio1_000147 CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G16 compound treatment 0.6 0.945 0.94 0.474 0.832 0.77 0.334 0.58708243902439 0.736047376683686 1.412 0.9941 1207 BPBio1_000148 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G17 compound treatment -0.418 -0.0729 -0.07 -0.241 0.117 0.11 -0.077 0.17608243902439 0.220761189074816 0.1479 0.5774 1270 BPBio1_000149 C[N+](C)(C)CCCCCC[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G18 compound treatment -0.423 -0.0779 -0.08 0.137 0.495 0.46 0.064 0.31708243902439 0.397538202342092 0.4492 0.7347 1027 BPBio1_000150 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c54 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G19 compound treatment -1.125 -0.78 -0.78 -1.974 -1.62 -1.5 -1.572 -1.31891756097561 -1.65357664663141 -2.2665 -0.9599 1518 BPBio1_000151 OC(=O)c1cc(ccc1O)c2ccc(F)cc2F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G20 compound treatment -0.166 0.179 0.18 -0.548 -0.19 -0.18 -0.5 -0.24691756097561 -0.309569850727014 -0.1777 -0.4463 2241 BPBio1_000152 COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G21 compound treatment -0.482 -0.137 -0.14 -0.157 0.201 0.19 0.108 0.36108243902439 0.452702660382944 0.29 0.571 1313 BPBio1_000153 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G22 compound treatment -0.256 0.0891 0.09 -0.029 0.329 0.3 -0.112 0.14108243902439 0.176880370178683 0.3289 0.9063 1002008 BPBio1_000154 C[C@@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C[C@@H](O)[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G23 mock treatment -0.527 -0.182 -0.18 -0.248 0.11 0.1 -0.353 -0.09991756097561 -0.125270411363258 -0.1182 -0.4876 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 G24 mock treatment -0.07 0.275 0.27 -0.272 0.0856 0.08 0.01 0.26308243902439 0.329836367473774 0.3941 0.9044 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H01 compound treatment 0.435 0.78 0.78 -0.141 0.217 0.2 -1.384 -1.13091756097561 -1.41787396227505 -0.2551 -0.1566 3326 BPBio1_000155 CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H02 compound treatment 0.22 0.565 0.56 0.034 0.392 0.36 -0.173 0.08008243902439 0.100402371531138 0.5917 0.8751 924 BPBio1_000156 NC(=N)NC(=N)Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H03 compound treatment -0.043 0.302 0.3 -0.288 0.0696 0.06 -0.21 0.04308243902439 0.0540140772695122 0.2418 0.7753 1535 BPBio1_000157 COc1ccc(OC)c(c1)C(O)CNC(=O)CN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H04 compound treatment -0.168 0.177 0.18 -0.006 0.352 0.33 1.044 1.29708243902439 1.59259468930331 1.2091 0.7395 3069234 BPBio1_000158 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@](O)(C(=O)OC)n4c5ccccc35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H05 compound treatment -0.244 0.101 0.1 -0.035 0.323 0.3 0.016 0.26908243902439 0.337358793570253 0.4253 0.9211 370 BPBio1_000159 O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H06 compound treatment -0.779 -0.434 -0.43 -0.597 -0.239 -0.22 -0.42 -0.16691756097561 -0.209270836107283 -0.4979 -0.9425 2797 BPBio1_000160 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H07 compound treatment -0.301 0.0441 0.04 -0.21 0.148 0.14 -0.142 0.11108243902439 0.139268239696284 0.1846 0.9231 1266 BPBio1_000161 CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H08 compound treatment -0.021 0.324 0.32 -0.361 -0.00339 0.0 0.042 0.29508243902439 0.369955973321666 0.3978 0.8108 3176928 BPBio1_000162 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H09 compound treatment -0.395 -0.0499 -0.05 -0.105 0.253 0.23 -0.25 0.00308243902438998 0.00386456995964652 0.1086 0.4542 1298 BPBio1_000163 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H10 compound treatment -0.209 0.136 0.14 -0.094 0.264 0.24 0.111 0.36408243902439 0.456463873431184 0.4826 0.902 3189180 BPBio1_000164 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H11 compound treatment -0.25 0.0951 0.09 0.115 0.473 0.44 -0.059 0.19408243902439 0.243328467364255 0.4477 0.8786 3616559 BPBio1_000165 C[N+]1=Cc2cc3OCOc3cc2CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H12 compound treatment -0.353 -0.00793 -0.01 0.73 1.09 1.01 -0.011 0.24208243902439 0.303507876136094 0.7521 0.715 1172 BPBio1_000166 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H13 compound treatment -0.025 0.32 0.32 0.45 0.808 0.75 -0.02 0.23308243902439 0.292224236991374 0.7842 0.908 1331 BPBio1_000167 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H14 compound treatment -0.091 0.254 0.25 0.253 0.611 0.57 0.027 0.28008243902439 0.351149908080466 0.675 0.9482 404 BPBio1_000168 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H15 compound treatment -0.568 -0.223 -0.22 -0.536 -0.178 -0.17 -0.516 -0.26291756097561 -0.32962965365096 -0.4136 -0.9615 3616563 BPBio1_000169 C[C@H](N)[C@H](O)c1cccc(O)c1.O[C@H]([C@@H](O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H16 compound treatment 0.803 1.15 1.14 2.215 2.57 1.51 -0.3 -0.04691756097561 -0.0588223141776856 1.4994 0.7903 1100 BPBio1_000170 CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H17 compound treatment 1.194 1.54 1.4 0.741 1.1 1.02 1.14 1.39308243902439 1.63685717429054 2.3407 0.9826 1523 BPBio1_000171 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H18 compound treatment -0.52 -0.175 -0.17 -0.609 -0.251 -0.23 -0.38 -0.12691756097561 -0.159121328797417 -0.3267 -0.9861 3172 BPBio1_000172 C(/C=C/c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H19 compound treatment -0.039 0.306 0.3 -0.036 0.322 0.3 -0.357 -0.10391756097561 -0.130285362094244 0.2724 0.6118 1436 BPBio1_000173 CCCNC(C)C(=O)Nc1ccccc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H20 compound treatment -0.086 0.259 0.26 0.154 0.512 0.47 0.052 0.30508243902439 0.382493350149132 0.643 0.9727 1001967 BPBio1_000174 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H21 compound treatment -0.481 -0.136 -0.14 -0.324 0.0336 0.03 -0.084 0.16908243902439 0.211985025295589 0.0623 0.2461 383 BPBio1_000175 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H22 compound treatment -0.125 0.22 0.22 -0.024 0.334 0.31 -0.097 0.15608243902439 0.195686435419883 0.4176 0.9801 1000268 BPBio1_000176 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H23 mock treatment -0.307 0.0381 0.04 0.217 0.575 0.53 -0.105 0.14808243902439 0.18565653395791 0.4362 0.7724 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 H24 mock treatment -0.092 0.253 0.25 0.067 0.425 0.39 0.052 0.30508243902439 0.382493350149132 0.5931 0.9828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I01 compound treatment -0.512 -0.167 -0.17 -1.279 -0.921 -0.85 -0.722 -0.46891756097561 -0.587899616296769 -0.9278 -0.8842 3561626 BPBio1_000177 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I02 compound treatment -0.199 0.146 0.15 -0.38 -0.0224 -0.02 0.052 0.30508243902439 0.382493350149132 0.2927 0.7145 3614569 BPBio1_000178 CCCCN(CC)CCOc1cccc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I03 compound treatment -0.288 0.0571 0.06 -0.946 -0.588 -0.54 -0.589 -0.33591756097561 -0.421152504491465 -0.5249 -0.7597 779 BPBio1_000179 CCN(CC)CCOC(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I04 compound treatment -0.107 0.238 0.24 -0.54 -0.182 -0.17 -0.5 -0.24691756097561 -0.309569850727014 -0.1396 -0.3287 3616505 BPBio1_000180 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I05 compound treatment 0.547 0.892 0.89 0.335 0.693 0.64 0.17 0.42308243902439 0.530434396713236 1.1885 0.9772 2847 BPBio1_000181 CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I06 compound treatment 0.273 0.618 0.61 0.295 0.653 0.6 -0.197 0.05608243902439 0.0703126671452185 0.7442 0.8607 3069040 BPBio1_000182 CNCC(O)c1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I07 compound treatment 0.226 0.571 0.57 -0.131 0.227 0.21 -0.209 0.04408243902439 0.0552678149522589 0.4808 0.7911 3068964 BPBio1_000183 NCCc1cc[nH]n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I08 compound treatment 0.15 0.495 0.49 0.016 0.374 0.35 -0.113 0.14008243902439 0.175626632495937 0.5853 0.9339 2858 BPBio1_000184 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I09 compound treatment -0.978 -0.633 -0.63 -0.676 -0.318 -0.29 -0.354 -0.10091756097561 -0.126524149046004 -0.6066 -0.8588 1268 BPBio1_000185 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I10 compound treatment -0.284 0.0611 0.06 -0.561 -0.203 -0.19 -0.232 0.02108243902439 0.0264318482490861 -0.0584 -0.2926 1610 BPBio1_000186 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I11 compound treatment -0.032 0.313 0.31 0.289 0.647 0.6 0.151 0.40408243902439 0.50661338074105 0.8179 0.9693 907391 BPBio1_000187 COc1ccc2cc(ccc2c1)C(C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I12 compound treatment 0.879 1.22 1.22 2.229 2.59 1.52 1.026 1.27908243902439 1.58387725232889 2.4926 0.9939 1465 BPBio1_000188 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I13 compound treatment -0.862 -0.517 -0.51 -1.294 -0.936 -0.87 -0.774 -0.52091756097561 -0.653093975799594 -1.1744 -0.9778 1083 BPBio1_000189 C(C1=NCCN1)c2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I14 compound treatment -0.657 -0.312 -0.31 -2.011 -1.65 -1.53 -1.064 -0.81091756097561 -1.01667790379612 -1.6499 -0.8853 1387 BPBio1_000190 OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I15 compound treatment -0.265 0.0801 0.08 -0.835 -0.477 -0.44 -0.303 -0.04991756097561 -0.0625835272259255 -0.2454 -0.5411 1821 BPBio1_000191 Clc1ccccc1CN2CCc3sccc3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I16 compound treatment -0.263 0.0821 0.08 -1.157 -0.799 -0.74 -0.953 -0.69991756097561 -0.877513021011243 -0.8869 -0.7706 3487389 BPBio1_000192 Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I17 compound treatment -0.338 0.00707 0.01 -1.292 -0.934 -0.87 -1.454 -1.20091756097561 -1.50563560006731 -1.3647 -0.7859 819 BPBio1_000193 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I18 compound treatment 0.593 0.938 0.93 0.469 0.827 0.77 0.11 0.36308243902439 0.455210135748438 1.2432 0.9641 3189054 BPBio1_000194 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]54CCC(=O)O5)[C@H]13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I19 compound treatment -0.335 0.0101 0.01 -0.305 0.0526 0.05 0.259 0.51208243902439 0.642017050477687 0.4046 0.6283 3188937 BPBio1_000195 CCC(C)(CN(C)C)OC(=O)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I20 compound treatment 0.091 0.436 0.43 0.033 0.391 0.36 0.051 0.30408243902439 0.381239612466386 0.6792 0.997 786 BPBio1_000196 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I21 compound treatment -0.528 -0.183 -0.18 -0.369 -0.0114 -0.01 -0.227 0.02608243902439 0.0327005366628193 -0.0922 -0.4982 362 BPBio1_000197 CCN(CC)CC(=O)Nc1c(C)cccc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I22 compound treatment -0.207 0.138 0.14 -0.292 0.0656 0.06 -0.163 0.09008243902439 0.112939748358604 0.1795 0.9557 1000246 BPBio1_000198 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I23 mock treatment -0.002 0.343 0.34 -0.267 0.0906 0.08 -0.353 -0.09991756097561 -0.125270411363258 0.173 0.464 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 I24 mock treatment -0.017 0.328 0.33 0.042 0.4 0.37 -0.065 0.18808243902439 0.235806041267775 0.5381 0.9842 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J01 compound treatment 0.149 0.494 0.49 -0.047 0.311 0.29 0.541 0.79408243902439 0.995571077012241 1.0244 0.8933 907239 BPBio1_000199 Clc1ccc2Nc3ccccc3C(=Nc2c1)N4CCNCC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J02 compound treatment 0.582 0.927 0.92 0.86 1.22 1.13 0.516 0.76908243902439 0.964227634943575 1.7397 0.9961 3614592 BPBio1_000200 Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J03 compound treatment -0.627 -0.282 -0.28 -1.04 -0.682 -0.63 -0.829 -0.57591756097561 -0.722049548350659 -0.9435 -0.9439 3616567 BPBio1_000201 CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J04 compound treatment -0.271 0.0741 0.07 -0.36 -0.00239 0.0 -0.292 -0.03891756097561 -0.0487924127157124 0.0131 0.1479 3616626 BPBio1_000202 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)C(=O)C[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J05 compound treatment -0.359 -0.0139 -0.01 -1.055 -0.697 -0.65 -0.396 -0.14291756097561 -0.179181131721363 -0.4843 -0.7225 3069077 BPBio1_000203 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J06 compound treatment -0.38 -0.0349 -0.03 -0.282 0.0756 0.07 -0.337 -0.08391756097561 -0.105210608439311 -0.0404 -0.3081 1033 BPBio1_000204 CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J07 compound treatment -0.121 0.224 0.22 -0.848 -0.49 -0.45 -0.648 -0.39491756097561 -0.495123027773517 -0.4194 -0.5926 41 BPBio1_000205 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J08 compound treatment -0.186 0.159 0.16 0.039 0.397 0.37 -0.575 -0.32191756097561 -0.403600176933012 0.0703 0.1238 1019722 BPBio1_000206 CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J09 compound treatment 0.141 0.486 0.48 -0.146 0.212 0.2 -0.116 0.13708243902439 0.171865419447697 0.4913 0.8949 752 BPBio1_000207 CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J10 compound treatment -0.313 0.0321 0.03 -0.126 0.232 0.21 -0.266 -0.01291756097561 -0.0161952329642998 0.1329 0.6111 1164 BPBio1_000208 CCN(CC)C(=O)N1CCN(C)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J11 compound treatment -0.444 -0.0989 -0.1 -0.228 0.13 0.12 -0.261 -0.00791756097561003 -0.00992654455056656 0.0068 0.0436 1258696 BPBio1_000209 Cc1c(Cl)cccc1Nc2ccccc2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J12 compound treatment -0.295 0.0501 0.05 -0.122 0.236 0.22 -0.055 0.19808243902439 0.248343418095242 0.2981 0.8917 1000071 BPBio1_000210 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J13 compound treatment -0.432 -0.0869 -0.09 -0.49 -0.132 -0.12 -0.916 -0.66291756097561 -0.831124726749617 -0.6005 -0.7111 1123 BPBio1_000211 Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J14 compound treatment -0.307 0.0381 0.04 -1.214 -0.856 -0.79 -0.767 -0.51391756097561 -0.644317812020368 -0.808 -0.7902 1158 BPBio1_000212 C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J15 compound treatment -0.19 0.155 0.15 -0.284 0.0736 0.07 -0.255 -0.00191756097561002 -0.0024041184540867 0.127 0.7532 3189175 BPBio1_000213 COC1=CC(=O)O[C@H](C1)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J16 compound treatment -0.93 -0.585 -0.58 -2.022 -1.66 -1.54 -1.671 -1.41791756097561 -1.77769667722333 -2.2519 -0.9292 3480597 BPBio1_000214 CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J17 compound treatment -0.106 0.239 0.24 -0.976 -0.618 -0.57 -0.395 -0.14191756097561 -0.177927394038617 -0.2961 -0.4591 1201 BPBio1_000215 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J18 compound treatment 0.234 0.579 0.58 -0.241 0.117 0.11 0.215 0.46808243902439 0.586852592436835 0.7335 0.8847 1180 BPBio1_000216 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J19 compound treatment -0.774 -0.429 -0.43 -0.593 -0.235 -0.22 -0.487 -0.23391756097561 -0.293271260851308 -0.5414 -0.964 734 BPBio1_000217 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J20 compound treatment -0.055 0.29 0.29 -0.104 0.254 0.23 -0.298 -0.04491756097561 -0.0563148388121923 0.2696 0.7167 830 BPBio1_000218 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J21 compound treatment -0.296 0.0491 0.05 -0.035 0.323 0.3 -0.342 -0.08891756097561 -0.111479296853045 0.1363 0.4225 1281686 BPBio1_000219 COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J22 compound treatment -0.858 -0.513 -0.51 -0.913 -0.555 -0.51 -0.316 -0.06291756097561 -0.0788821171016319 -0.6369 -0.8742 753 BPBio1_000220 O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J23 mock treatment -0.318 0.0271 0.03 -0.366 -0.00839 -0.01 -0.26 -0.00691756097561003 -0.00867280686781992 0.006 0.2061 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 J24 mock treatment -0.486 -0.141 -0.14 -0.114 0.244 0.23 -0.041 0.21208243902439 0.265895745653695 0.2029 0.5398 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K01 compound treatment -0.194 0.151 0.15 0.452 0.81 0.75 -0.15 0.10308243902439 0.129238338234311 0.5941 0.7662 1415 BPBio1_000221 FC(F)(F)c1cccc(c1)N2CCNCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K02 compound treatment -0.467 -0.122 -0.12 -0.226 0.132 0.12 -0.144 0.10908243902439 0.136760764330791 0.0793 0.3611 3560659 BPBio1_000222 O=C1CC2(CCCC2)CC(=O)N1CCCCNCC3COc4ccccc4O3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K03 compound treatment 0.552 0.897 0.89 -0.284 0.0736 0.07 0.359 0.61208243902439 0.767390818752352 0.9973 0.8462 1010605 BPBio1_000223 COP(=O)(OC)C(O)C(Cl)(Cl)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K04 compound treatment 0.265 0.61 0.61 -0.1 0.258 0.24 0.232 0.48508243902439 0.608166133043528 0.839 0.9412 72 BPBio1_000224 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K05 compound treatment 0.009 0.354 0.35 -0.367 -0.00939 -0.01 -0.252 0.00108243902438998 0.00135709459415323 0.199 0.5651 1019 BPBio1_000225 NC(=O)N1c2ccccc2C=Cc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K06 compound treatment -0.305 0.0401 0.04 0.065 0.423 0.39 0.012 0.26508243902439 0.332343842839267 0.4408 0.856 4362 BPBio1_000226 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K07 compound treatment 0.222 0.567 0.56 0.445 0.803 0.74 0.047 0.30008243902439 0.376224661735399 0.9718 0.9661 1401 BPBio1_000227 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K08 compound treatment -0.229 0.116 0.12 -0.292 0.0656 0.06 -0.464 -0.21091756097561 -0.264435294148135 -0.051 -0.1729 3487390 BPBio1_000228 OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K09 compound treatment -0.783 -0.438 -0.44 -0.308 0.0496 0.05 -0.27 -0.01691756097561 -0.0212101836952864 -0.2371 -0.5409 939 BPBio1_000229 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K10 compound treatment -0.465 -0.12 -0.12 -0.06 0.298 0.28 -0.141 0.11208243902439 0.140521977379031 0.1714 0.517 355 BPBio1_000230 COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K11 compound treatment -0.35 -0.00493 0.0 -0.065 0.293 0.27 -0.113 0.14008243902439 0.175626632495937 0.255 0.7896 3186 BPBio1_000231 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K12 compound treatment 0.357 0.702 0.7 0.087 0.445 0.41 -0.035 0.21808243902439 0.273418171750175 0.7985 0.9337 1000064 BPBio1_000232 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K13 compound treatment -0.538 -0.193 -0.19 -0.442 -0.0844 -0.08 -0.082 0.17108243902439 0.214492500661082 -0.032 -0.1074 920 BPBio1_000233 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K14 compound treatment -0.338 0.00707 0.01 -0.426 -0.0684 -0.06 -0.048 0.20508243902439 0.257119581874468 0.1159 0.4377 709 BPBio1_000234 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K15 compound treatment -0.041 0.304 0.3 -0.448 -0.0904 -0.08 -0.333 -0.07991756097561 -0.100195657708325 0.0684 0.2076 3127 BPBio1_000235 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K16 compound treatment -0.303 0.0421 0.04 -0.291 0.0666 0.06 -0.048 0.20508243902439 0.257119581874468 0.2082 0.7777 3189055 BPBio1_000236 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K17 compound treatment -0.634 -0.289 -0.29 -0.164 0.194 0.18 -0.596 -0.34291756097561 -0.429928668270692 -0.3106 -0.5675 1318 BPBio1_000237 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K18 compound treatment -0.324 0.0211 0.02 0.337 0.695 0.64 -0.192 0.06108243902439 0.0765813555589518 0.4276 0.6599 1590 BPBio1_000238 CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K19 compound treatment 0.119 0.464 0.46 0.03 0.388 0.36 0.065 0.31808243902439 0.398791940024839 0.7038 0.9947 884 BPBio1_000239 CN(C)CCC(c1ccccc1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K20 compound treatment -0.035 0.31 0.31 -0.186 0.172 0.16 -0.266 -0.01291756097561 -0.0161952329642998 0.2604 0.7499 3060388 BPBio1_000240 CO/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)/c3csc(N)n3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K21 compound treatment -0.495 -0.15 -0.15 -0.05 0.308 0.28 -0.057 0.19608243902439 0.245835942729748 0.2203 0.5444 965 BPBio1_000241 C(C1=NCCN1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K22 compound treatment -0.385 -0.0399 -0.04 -0.232 0.126 0.12 -0.228 0.02508243902439 0.0314467989800726 0.0624 0.4918 1418 BPBio1_000242 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K23 mock treatment -0.163 0.182 0.18 -0.09 0.268 0.25 -0.066 0.18708243902439 0.234552303585029 0.383 0.9916 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 K24 mock treatment -0.23 0.115 0.11 -0.207 0.151 0.14 0.018 0.27108243902439 0.339866268935747 0.3428 0.8909 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L01 compound treatment -0.362 -0.0169 -0.02 -0.012 0.346 0.32 -0.026 0.22708243902439 0.284701810894894 0.3394 0.7918 3561646 BPBio1_000243 COc1cc(OC)c(cc1NS(=O)(=O)c2ccc(cc2)C(F)(F)F)C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L02 compound treatment 0.138 0.483 0.48 -0.474 -0.116 -0.11 -0.223 0.03008243902439 0.0377154873938059 0.2368 0.4798 3177469 BPBio1_000244 NC1CCN(CC1)c2cccc(Cl)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L03 compound treatment -0.178 0.167 0.17 0.008 0.366 0.34 -0.684 -0.43091756097561 -0.540257584352396 -0.0206 -0.0312 347 BPBio1_000245 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L04 compound treatment 0.128 0.473 0.47 0.105 0.463 0.43 0.331 0.58408243902439 0.732286163635446 0.9416 0.9707 3068677 BPBio1_000246 OC1=NC(=O)CN1/N=C/c2ccc(o2)c3ccc(cc3)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L05 compound treatment -0.176 0.169 0.17 0.354 0.712 0.66 -0.009 0.24408243902439 0.306015351501587 0.6541 0.8772 3616578 BPBio1_000247 CN1CCCN=C1/C=C/c2cccs2.O[C@H]([C@@H](O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L06 compound treatment -0.113 0.232 0.23 -0.284 0.0736 0.07 -0.607 -0.35391756097561 -0.443719782780905 -0.0836 -0.1657 850 BPBio1_000248 Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L07 compound treatment 0.152 0.497 0.49 -0.223 0.135 0.12 -0.188 0.06508243902439 0.0815963062899383 0.4044 0.7835 1144 BPBio1_000249 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L08 compound treatment 0.082 0.427 0.42 -0.078 0.28 0.26 -0.024 0.22908243902439 0.287209286260388 0.5604 0.9759 936 BPBio1_000250 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L09 compound treatment -0.539 -0.194 -0.19 -0.425 -0.0674 -0.06 -0.127 0.12608243902439 0.158074304937484 -0.0561 -0.2182 796 BPBio1_000251 Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L10 compound treatment -0.014 0.331 0.33 0.096 0.454 0.42 0.11 0.36308243902439 0.455210135748438 0.6953 0.9914 1060 BPBio1_000252 CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L11 compound treatment 0.188 0.533 0.53 -0.134 0.224 0.21 0.161 0.41408243902439 0.519150757568516 0.7252 0.9416 1346 BPBio1_000253 CCN(CC)CCNC(=O)COc1ccc(OC)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L12 compound treatment -0.453 -0.108 -0.11 0.061 0.419 0.39 -0.094 0.15908243902439 0.199447648468123 0.277 0.617 1069 BPBio1_000254 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L13 compound treatment -0.591 -0.246 -0.24 -0.046 0.312 0.29 -0.153 0.10008243902439 0.125477125186071 0.0979 0.2456 1339 BPBio1_000255 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L14 compound treatment -0.187 0.158 0.16 -0.367 -0.00939 -0.01 -0.706 -0.45291756097561 -0.567839813372822 -0.2421 -0.4109 1113 BPBio1_000256 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)O)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L15 compound treatment -0.011 0.334 0.33 0.601 0.959 0.89 0.1 0.35308243902439 0.442672758920971 0.9598 0.9176 1350 BPBio1_000257 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L16 compound treatment -0.005 0.34 0.34 0.167 0.525 0.49 -0.138 0.11508243902439 0.14428319042727 0.5589 0.9176 3068682 BPBio1_000258 CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L17 compound treatment -0.313 0.0321 0.03 0.079 0.437 0.4 -0.251 0.00208243902438998 0.00261083227689987 0.2533 0.6247 699 BPBio1_000259 OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L18 compound treatment -0.341 0.00407 0.0 -0.461 -0.103 -0.1 0.006 0.25908243902439 0.324821416742787 0.1346 0.3974 1348 BPBio1_000260 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L19 compound treatment -0.118 0.227 0.23 -0.521 -0.163 -0.15 -0.797 -0.54391756097561 -0.681929942502767 -0.3507 -0.4778 1209 BPBio1_000261 CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L20 compound treatment -0.248 0.0971 0.1 -0.051 0.307 0.28 0.177 0.43008243902439 0.539210560492463 0.5309 0.8605 3055129 BPBio1_000262 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@@]21C)c5ccc(cc5)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L21 compound treatment -0.874 -0.529 -0.53 -0.387 -0.0294 -0.03 -0.351 -0.09791756097561 -0.122762935997764 -0.3902 -0.7217 1127 BPBio1_000263 CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L22 compound treatment -0.414 -0.0689 -0.07 -0.19 0.168 0.16 -0.207 0.04608243902439 0.0577752903177522 0.0834 0.4653 1045066 BPBio1_000264 O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L23 mock treatment -0.257 0.0881 0.09 0.115 0.473 0.44 -0.155 0.09808243902439 0.122969649820578 0.3742 0.8084 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 L24 mock treatment -0.137 0.208 0.21 -0.074 0.284 0.26 -0.331 -0.07791756097561 -0.0976881823428315 0.2146 0.6163 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M01 compound treatment -0.889 -0.544 -0.54 -0.995 -0.637 -0.59 -0.526 -0.27291756097561 -0.342167030478427 -0.8505 -0.977 3060152 BPBio1_000265 OC(CN1CCN(CC1)c2cccc(Cl)c2)C(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M02 compound treatment -0.181 0.164 0.16 -0.776 -0.418 -0.39 -0.253 8.24390243899797E-5 1.03356911406587E-4 -0.1294 -0.3079 3614572 BPBio1_000266 COc1ccccc1N2CCN(CCn3c(=O)n(C)c4c5ccccc5n(C)c4c3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M03 compound treatment -0.086 0.259 0.26 -0.254 0.104 0.1 -0.089 0.16408243902439 0.205716336881856 0.3229 0.9404 3188938 BPBio1_000267 CN1CCCN=C1/C=C/c2sccc2C.OC(C(O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M04 compound treatment -0.201 0.144 0.14 -0.022 0.336 0.31 0.065 0.31808243902439 0.398791940024839 0.4923 0.937 1000056 BPBio1_000268 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M05 compound treatment 0.216 0.561 0.56 -0.081 0.277 0.26 0.048 0.30108243902439 0.377478399418146 0.6879 0.9546 3559747 BPBio1_000269 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M06 compound treatment 0.77 1.12 1.11 0.377 0.735 0.68 1.521 1.77408243902439 1.78245412644464 2.0618 0.9344 1301 BPBio1_000270 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M07 compound treatment -0.307 0.0381 0.04 -0.298 0.0596 0.06 -0.416 -0.16291756097561 -0.204255885376296 -0.0642 -0.2987 110 BPBio1_000271 COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M08 compound treatment -0.462 -0.117 -0.12 -0.616 -0.258 -0.24 -0.276 -0.02291756097561 -0.0287326097917662 -0.2218 -0.8292 1360 BPBio1_000272 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M09 compound treatment -0.317 0.0281 0.03 -0.32 0.0376 0.03 -0.233 0.02008243902439 0.0251781105663394 0.0508 0.9905 436 BPBio1_000273 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M10 compound treatment -0.36 -0.0149 -0.01 -0.05 0.308 0.28 -0.104 0.14908243902439 0.186910271640656 0.2638 0.7736 80 BPBio1_000274 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M11 compound treatment 0.139 0.484 0.48 0.691 1.05 0.97 0.112 0.36508243902439 0.457717611113931 1.1027 0.9374 1002 BPBio1_000275 CN(C)CCOC(c1ccccc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M12 compound treatment -0.342 0.00307 0.0 -0.596 -0.238 -0.22 -0.303 -0.04991756097561 -0.0625835272259255 -0.1618 -0.7052 3198950 BPBio1_000276 CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M13 compound treatment -0.411 -0.0659 -0.07 -0.354 0.00361 0.0 -0.489 -0.23591756097561 -0.295778736216801 -0.2067 -0.6822 728 BPBio1_000277 Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M14 compound treatment -0.458 -0.113 -0.11 -1.121 -0.763 -0.71 -0.129 0.12408243902439 0.15556682957199 -0.3831 -0.5231 368 BPBio1_000278 CC/C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M15 compound treatment -0.385 -0.0399 -0.04 -0.708 -0.35 -0.32 -0.118 0.13508243902439 0.169357944082203 -0.1125 -0.3055 814 BPBio1_000279 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M16 compound treatment 0.53 0.875 0.87 0.596 0.954 0.88 0.545 0.79808243902439 1.00058602774323 1.5898 0.998 783 BPBio1_000280 CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]2Cc4cn(C)c5cccc1c45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M17 compound treatment -0.286 0.0591 0.06 -0.4 -0.0424 -0.04 -0.562 -0.30891756097561 -0.387301587057306 -0.2124 -0.5394 3471598 BPBio1_000281 CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M18 compound treatment -0.166 0.179 0.18 0.454 0.812 0.75 0.373 0.62608243902439 0.784943146310805 0.9899 0.8989 2784 BPBio1_000282 C[C@@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@]1(O)CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M19 compound treatment -0.435 -0.0899 -0.09 -0.419 -0.0614 -0.06 -0.339 -0.08591756097561 -0.107718083804805 -0.1466 -0.9705 1223 BPBio1_000283 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M20 compound treatment -0.081 0.264 0.26 -0.39 -0.0324 -0.03 -0.208 0.04508243902439 0.0565215526350055 0.1669 0.6176 3189056 BPBio1_000284 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M21 compound treatment -0.341 0.00407 0.0 -0.917 -0.559 -0.52 -0.076 0.17708243902439 0.222014926757562 -0.1685 -0.2991 971 BPBio1_000285 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M22 compound treatment -0.655 -0.31 -0.31 -0.271 0.0866 0.08 -0.271 -0.01791756097561 -0.022463921378033 -0.1446 -0.4529 3616513 BPBio1_000286 CN1C[C@@H](CC2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(C(O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M23 mock treatment -0.038 0.307 0.31 -0.086 0.272 0.25 -0.087 0.16608243902439 0.208223812247349 0.4417 0.9881 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 M24 mock treatment -0.151 0.194 0.19 -0.42 -0.0624 -0.06 -0.016 0.23708243902439 0.297239187722361 0.2496 0.6953 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N01 compound treatment 0.581 0.926 0.92 0.625 0.983 0.91 1.11 1.36308243902439 1.62341335624868 1.9941 0.9604 3177235 BPBio1_000287 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N02 compound treatment -0.047 0.298 0.3 0.123 0.481 0.45 -1.015 -0.76191756097561 -0.955244757341535 -0.1235 -0.1128 3614595 BPBio1_000288 CN(C)Cc1nc(no1)c2cn(C)c3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N03 compound treatment 0.218 0.563 0.56 0.236 0.594 0.55 0.388 0.64108243902439 0.803749211552004 1.1046 0.9835 747 BPBio1_000289 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N04 compound treatment -0.198 0.147 0.15 0.663 1.02 0.95 0.216 0.46908243902439 0.588106330119582 0.9696 0.8636 1608 BPBio1_000290 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N05 compound treatment -0.015 0.33 0.33 -0.568 -0.21 -0.19 0.129 0.38208243902439 0.479031151720624 0.3535 0.5773 3189176 BPBio1_000291 CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N06 compound treatment 0.154 0.499 0.5 0.191 0.549 0.51 0.087 0.34008243902439 0.426374169045265 0.8259 0.9972 3068878 BPBio1_000292 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N07 compound treatment -0.135 0.21 0.21 -0.636 -0.278 -0.26 -0.301 -0.04791756097561 -0.0600760518604322 -0.0629 -0.1867 816 BPBio1_000293 Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N08 compound treatment -0.043 0.302 0.3 -0.351 0.00661 0.01 -0.555 -0.30191756097561 -0.378525423278079 -0.0416 -0.0861 907526 BPBio1_000294 CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc4ccccc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N09 compound treatment -0.028 0.317 0.32 0.075 0.433 0.4 0.457 0.71008243902439 0.890257111661523 0.9273 0.9039 1181 BPBio1_000295 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N10 compound treatment -0.862 -0.517 -0.51 -0.493 -0.135 -0.13 -0.417 -0.16391756097561 -0.205509623059043 -0.4877 -0.8594 773 BPBio1_000296 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N11 compound treatment -0.432 -0.0869 -0.09 -0.313 0.0446 0.04 -0.336 -0.08291756097561 -0.103956870756565 -0.0861 -0.6089 1162 BPBio1_000297 Cc1c(NC(=O)c2cccnc2)c(=O)n(c3ccccc3)n1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N12 compound treatment 0.197 0.542 0.54 0.184 0.542 0.5 0.182 0.43508243902439 0.545479248906196 0.9156 0.9993 1357 BPBio1_000298 CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N13 compound treatment -0.282 0.0631 0.06 -0.036 0.322 0.3 -0.09 0.16308243902439 0.204462599199109 0.3262 0.8897 812 BPBio1_000299 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N14 compound treatment -0.183 0.162 0.16 -0.729 -0.371 -0.34 -0.383 -0.12991756097561 -0.162882541845657 -0.1996 -0.4829 927 BPBio1_000300 CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N15 compound treatment -0.764 -0.419 -0.42 -1.058 -0.7 -0.65 -0.829 -0.57591756097561 -0.722049548350659 -1.0318 -0.9769 386963 BPBio1_000301 Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N16 compound treatment -0.298 0.0471 0.05 -0.144 0.214 0.2 -0.362 -0.10891756097561 -0.136554050507977 0.0624 0.2547 876 BPBio1_000302 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N17 compound treatment -0.269 0.0761 0.08 0.233 0.591 0.55 0.064 0.31708243902439 0.397538202342092 0.5889 0.8657 1075 BPBio1_000303 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N18 compound treatment -0.621 -0.276 -0.27 -0.228 0.13 0.12 -0.943 -0.68991756097561 -0.864975644183776 -0.5885 -0.6429 2117626 BPBio1_000304 Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N19 compound treatment 0.376 0.721 0.72 0.015 0.373 0.35 0.027 0.28008243902439 0.351149908080466 0.8158 0.9381 1016 BPBio1_000305 CN1CCOC(c2ccccc2)c3ccccc3C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N20 compound treatment -0.393 -0.0479 -0.05 -0.472 -0.114 -0.11 -0.328 -0.07491756097561 -0.0939269692945916 -0.1429 -0.9566 467359 BPBio1_000306 CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N21 compound treatment -0.347 -0.00193 0.0 -0.292 0.0656 0.06 -0.17 0.08308243902439 0.104163584579378 0.0941 0.7803 3046406 BPBio1_000307 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N22 compound treatment -0.487 -0.142 -0.14 -0.321 0.0366 0.03 -0.07 0.18308243902439 0.229537352854042 0.0706 0.2601 714 BPBio1_000308 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N23 mock treatment -0.206 0.139 0.14 -0.261 0.0966 0.09 -0.074 0.17908243902439 0.224522402123056 0.2611 0.9377 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 N24 mock treatment -0.13 0.215 0.21 -0.135 0.223 0.21 -0.095 0.15808243902439 0.198193910785376 0.3569 0.9995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O01 compound treatment -0.218 0.127 0.13 -0.081 0.277 0.26 -0.294 -0.04091756097561 -0.0512998880812057 0.1912 0.6589 3561713 BPBio1_000309 CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(C#N)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O02 compound treatment -0.317 0.0281 0.03 -0.053 0.305 0.28 -0.146 0.10708243902439 0.134253288965297 0.2565 0.8178 3614574 BPBio1_000310 COc1ccccc1N2CCN(CCn3c(=O)[nH]c4c5ccccc5[nH]c4c3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O03 compound treatment -0.094 0.251 0.25 -0.259 0.0986 0.09 -0.129 0.12408243902439 0.15556682957199 0.2866 0.9308 1125 BPBio1_000311 CCOC(=O)NNc1nncc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O04 compound treatment 0.294 0.639 0.64 0.36 0.718 0.66 -0.028 0.22508243902439 0.282194335529401 0.9134 0.9498 935 BPBio1_000312 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@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O05 compound treatment -0.04 0.305 0.3 -0.338 0.0196 0.02 -0.236 0.01708243902439 0.0214168975180995 0.198 0.6499 1174 BPBio1_000313 CN(C)CCCN1c2ccccc2CCc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O06 compound treatment -0.202 0.143 0.14 0.192 0.55 0.51 0.071 0.32408243902439 0.406314366121319 0.6105 0.9159 3616516 BPBio1_000314 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]3O)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O07 compound treatment -0.342 0.00307 0.0 -0.312 0.0456 0.04 -0.213 0.04008243902439 0.0502528642212723 0.0552 0.8393 1212 BPBio1_000315 CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O08 compound treatment 1.002 1.35 1.34 0.652 1.01 0.93 0.417 0.67008243902439 0.840107604351657 1.7972 0.979 3616519 BPBio1_000316 CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]3OC)[C@H](O)[C@H]2N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O09 compound treatment -0.307 0.0381 0.04 -0.486 -0.128 -0.12 -0.283 -0.02991756097561 -0.0375087735709926 -0.0684 -0.5254 1365 BPBio1_000317 CN(C)CCC=C1c2ccccc2CCc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O10 compound treatment 1.388 1.73 1.45 1.053 1.41 1.27 0.731 0.98408243902439 1.2337812367341 2.2872 0.9974 3616520 BPBio1_000318 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O11 compound treatment -0.746 -0.401 -0.4 -0.198 0.16 0.15 -0.615 -0.36191756097561 -0.453749684242878 -0.4068 -0.6542 872 BPBio1_000319 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O12 compound treatment -0.19 0.155 0.15 -0.33 0.0276 0.03 0.141 0.39408243902439 0.494076003913584 0.389 0.7507 346 BPBio1_000320 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O13 compound treatment -0.301 0.0441 0.04 -0.597 -0.239 -0.22 0.104 0.35708243902439 0.447687709651958 0.1558 0.3107 969 BPBio1_000321 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O14 compound treatment -1.809 -1.46 -1.46 0.223 0.581 0.54 0.335 0.58808243902439 0.737301114366432 -0.1042 -0.0607 3616524 BPBio1_000322 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O15 compound treatment -0.151 0.194 0.19 -0.281 0.0766 0.07 -0.198 0.05508243902439 0.0690589294624719 0.1922 0.8864 2080073 BPBio1_000323 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O16 compound treatment -0.04 0.305 0.3 1.122 1.48 1.29 0.393 0.64608243902439 0.810017899965737 1.3901 0.8929 1257 BPBio1_000324 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O17 compound treatment -0.031 0.314 0.31 -0.1 0.258 0.24 -0.074 0.17908243902439 0.224522402123056 0.4476 0.9891 731 BPBio1_000325 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O18 compound treatment 0.008 0.353 0.35 0.245 0.603 0.56 -0.282 -0.02891756097561 -0.036255035888246 0.5039 0.7632 1000317 BPBio1_000326 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O19 compound treatment 0.183 0.528 0.52 -0.205 0.153 0.14 0.084 0.33708243902439 0.422612955997025 0.6287 0.913 1001312 BPBio1_000327 C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O20 compound treatment 0.36 0.705 0.7 -0.263 0.0946 0.09 0.169 0.42208243902439 0.52918065903049 0.7608 0.862 3069047 BPBio1_000328 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)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O21 compound treatment -0.712 -0.367 -0.36 -0.237 0.121 0.11 -0.258 -0.00491756097561002 -0.00616533150232663 -0.1497 -0.3923 1053 BPBio1_000329 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O22 compound treatment -0.315 0.0301 0.03 0.181 0.539 0.5 -0.798 -0.54491756097561 -0.683183680185513 -0.0892 -0.1054 3189062 BPBio1_000330 CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@@H](CC[C@H]3N)[C@@H](C)N)[C@@H]2O)OC[C@]1(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O23 mock treatment -0.559 -0.214 -0.21 -0.361 -0.00339 0.0 -0.18 0.07308243902439 0.0916262077519115 -0.0717 -0.3096 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 O24 mock treatment -0.03 0.315 0.31 0.066 0.424 0.39 -0.142 0.11108243902439 0.139268239696284 0.4877 0.9362 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P01 compound treatment 0.077 0.422 0.42 0.195 0.553 0.51 0.037 0.29008243902439 0.363687284907933 0.7477 0.9902 1434 BPBio1_000331 CN1CCN2C(C1)c3ccccc3Cc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P02 compound treatment 1.079 1.42 1.36 0.348 0.706 0.65 2.987 3.24008243902439 2.10527735687656 2.3803 0.9182 1315226 BPBio1_000332 CN1C2CCC1CC(C2)OC(=O)c3cc(C)cc(C)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P03 compound treatment 1.559 1.9 1.5 0.158 0.516 0.48 -0.265 -0.01191756097561 -0.0149414952815531 1.1304 0.7201 805 BPBio1_000333 CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P04 compound treatment -0.425 -0.0799 -0.08 -0.273 0.0846 0.08 0.317 0.57008243902439 0.714733836076993 0.412 0.5695 3177204 BPBio1_000334 CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2.OC(C(O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P05 compound treatment -0.271 0.0741 0.07 0.239 0.597 0.55 -0.047 0.20608243902439 0.258373319557215 0.5106 0.8312 3069144 BPBio1_000335 C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P06 compound treatment -0.086 0.259 0.26 -0.384 -0.0264 -0.02 -0.069 0.18408243902439 0.230791090536789 0.2678 0.7726 43 BPBio1_000336 Fc1ccc(cc1)C(N2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P07 compound treatment 0.974 1.32 1.31 3.257 3.61 1.63 2.708 2.96108243902439 2.06118929077408 2.8882 0.9834 3616593 BPBio1_000337 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P08 compound treatment 0.007 0.352 0.35 -0.441 -0.0834 -0.08 -0.161 0.09208243902439 0.115447223724098 0.2242 0.5953 437 BPBio1_000338 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P09 compound treatment -0.226 0.119 0.12 -1.008 -0.65 -0.6 -0.636 -0.38291756097561 -0.480078175580557 -0.5565 -0.7142 3487401 BPBio1_000339 NC(=O)OCC(O)COc1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P10 compound treatment -0.054 0.291 0.29 0.475 0.833 0.77 0.177 0.43008243902439 0.539210560492463 0.9235 0.9382 1036 BPBio1_000340 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P11 compound treatment -0.14 0.205 0.2 0.488 0.846 0.78 -0.013 0.24008243902439 0.301000400770601 0.7435 0.8613 3189177 BPBio1_000341 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=C)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P12 compound treatment -0.198 0.147 0.15 0.368 0.726 0.67 -0.212 0.04108243902439 0.0515066019040189 0.5021 0.7281 3616642 BPBio1_000342 CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P13 compound treatment 0.474 0.819 0.81 0.502 0.86 0.8 0.215 0.46808243902439 0.586852592436835 1.2685 0.9902 2997 BPBio1_000343 COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P14 compound treatment -0.118 0.227 0.23 0.092 0.45 0.42 -0.243 0.01008243902439 0.012640733738873 0.378 0.7979 74 BPBio1_000344 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P15 compound treatment -0.065 0.28 0.28 0.105 0.463 0.43 0.061 0.31408243902439 0.393776989293852 0.6354 0.9851 1323 BPBio1_000345 CC1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P16 compound treatment 0.019 0.364 0.36 -0.123 0.235 0.22 -0.11 0.14308243902439 0.179387845544176 0.438 0.9549 3055 BPBio1_000346 NC(=N)NCCN1CCCCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P17 compound treatment 0.188 0.533 0.53 0.067 0.425 0.39 0.044 0.29708243902439 0.372463448687159 0.748 0.9872 999 BPBio1_000347 CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P18 compound treatment 0.052 0.397 0.39 -0.331 0.0266 0.02 -0.142 0.11108243902439 0.139268239696284 0.3225 0.7692 763 BPBio1_000348 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P19 compound treatment -0.22 0.125 0.12 -0.027 0.331 0.31 -0.218 0.03508243902439 0.0439841758075391 0.2739 0.8218 1443 BPBio1_000349 CN(C)CCOC(c1ccccc1)c2ccccc2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P20 compound treatment 0.004 0.349 0.35 -0.078 0.28 0.26 -0.227 0.02608243902439 0.0327005366628193 0.3687 0.8492 907228 BPBio1_000350 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P21 compound treatment -0.038 0.307 0.31 -0.247 0.111 0.1 -0.581 -0.32791756097561 -0.411122603029492 -0.002 -0.0038 1291 BPBio1_000351 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P22 compound treatment 0.222 0.567 0.56 0.17 0.528 0.49 0.166 0.41908243902439 0.52541944598225 0.9109 0.9983 1130 BPBio1_000352 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P23 mock treatment -0.28 0.0651 0.06 -0.067 0.291 0.27 0.244 0.49708243902439 0.623210985236488 0.5525 0.8103 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2320 P24 mock treatment -0.062 0.283 0.28 0.221 0.579 0.54 0.355 0.60808243902439 0.762375868021365 0.912 0.9369 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A01 compound treatment -0.167 0.178 0.18 0.691 1.05 0.97 -0.102 0.15108243902439 0.18941774700615 0.7721 0.7683 3614601 BPBio1_000353 CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]3CN4CCC3CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A02 compound treatment -1.722 -1.38 -1.37 -2.148 -1.79 -1.66 -0.107 0.14608243902439 0.183149058592416 -1.6417 -0.7609 1095093 BPBio1_000354 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A03 compound treatment -0.339 0.00607 0.01 0.663 1.02 0.95 -0.563 -0.30991756097561 -0.388555324740052 0.3248 0.3178 3189183 BPBio1_000355 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A04 compound treatment -0.077 0.268 0.27 -0.212 0.146 0.13 0.123 0.37608243902439 0.471508725624144 0.5039 0.9029 2717 BPBio1_000356 CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A05 compound treatment 0.3 0.645 0.64 0.099 0.457 0.42 0.348 0.60108243902439 0.753599704242139 1.0494 0.9753 3480229 BPBio1_000357 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A06 compound treatment -0.394 -0.0489 -0.05 -0.071 0.287 0.27 -0.365 -0.11191756097561 -0.140315263556217 0.0441 0.1451 1403 BPBio1_000358 COC(=O)C1=CCCN(C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A07 compound treatment -0.546 -0.201 -0.2 -0.573 -0.215 -0.2 -0.393 -0.13991756097561 -0.175419918673123 -0.3318 -0.9982 1132 BPBio1_000359 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A08 compound treatment -0.038 0.307 0.31 -0.176 0.182 0.17 -0.178 0.07508243902439 0.0941336831174048 0.3277 0.9077 1000219 BPBio1_000360 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A09 compound treatment -0.125 0.22 0.22 -0.369 -0.0114 -0.01 -0.177 0.07608243902439 0.0953874208001514 0.1753 0.7338 1001994 BPBio1_000361 C[C@@H](N)[C@@H](O)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A10 compound treatment -3.112 -2.77 -2.75 -4.04 -3.68 -3.41 -2.82 -2.56691756097561 -3.21824127469922 -5.4148 -0.9961 1000243 BPBio1_000362 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A11 compound treatment 0.263 0.608 0.6 -0.082 0.276 0.26 -0.012 0.24108243902439 0.302254138453347 0.6709 0.9286 1000341 BPBio1_000363 OC[C@H](O)[C@H]1OC(=O)C(=C1O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A12 compound treatment 0.379 0.724 0.72 -0.023 0.335 0.31 0.172 0.42508243902439 0.53294187207873 0.9022 0.9519 387 BPBio1_000364 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A13 compound treatment 0.248 0.593 0.59 -0.728 -0.37 -0.34 0.552 0.80508243902439 1.00936219152245 0.7252 0.5953 800 BPBio1_000365 C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A14 compound treatment -0.358 -0.0129 -0.01 -0.406 -0.0484 -0.04 -0.029 0.22408243902439 0.280940597846654 0.1289 0.4527 3068973 BPBio1_000366 C(CN1CCOCC1)Nc2cc3CCCc4ccccc4-c3nn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A15 compound treatment -0.187 0.158 0.16 -0.641 -0.283 -0.26 -0.465 -0.21191756097561 -0.265689031830882 -0.2142 -0.5286 3063 BPBio1_000367 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A16 compound treatment 0.065 0.41 0.41 -0.127 0.231 0.21 -0.032 0.22108243902439 0.277179384798415 0.5187 0.9655 1000308 BPBio1_000368 N[C@]1(C[C@@H]2C[C@H]3C[C@@H](C2)C1)C3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A17 compound treatment -0.328 0.0171 0.02 -0.286 0.0716 0.07 -0.82 -0.56691756097561 -0.71076590920594 -0.3623 -0.5074 3173242 BPBio1_000369 Nc1nc2cc(Cl)ccc2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A18 compound treatment -0.414 -0.0689 -0.07 0.026 0.384 0.36 0.158 0.41108243902439 0.515389544520277 0.4631 0.7354 3068976 BPBio1_000370 Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A19 compound treatment -0.501 -0.156 -0.16 -0.242 0.116 0.11 -0.37 -0.11691756097561 -0.146583951969951 -0.1123 -0.4706 1516 BPBio1_000371 Nc1c2CCCCc2nc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A20 compound treatment -0.864 -0.519 -0.52 -0.927 -0.569 -0.53 -0.68 -0.42691756097561 -0.53524263362141 -0.9113 -0.9999 26 BPBio1_000372 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A21 compound treatment 0.032 0.377 0.37 -0.11 0.248 0.23 -0.178 0.07508243902439 0.0941336831174048 0.4031 0.8971 3487402 BPBio1_000373 CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A22 compound treatment 1.172 1.52 1.39 2.769 3.13 1.58 0.272 0.52508243902439 0.658315640353394 2.0984 0.9499 3616687 BPBio1_000374 C[C@H]1O[C@@H](O[C@@H]/2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[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\C=C\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A23 mock treatment 0.203 0.548 0.54 -0.392 -0.0344 -0.03 0.025 0.27808243902439 0.348642432714973 0.4975 0.7681 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 A24 mock treatment 0.247 0.592 0.59 0.316 0.674 0.62 0.366 0.61908243902439 0.776166982531578 1.1481 0.9925 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B01 compound treatment -2.744 -2.4 -2.38 -2.786 -2.43 -2.25 -1.131 -0.87791756097561 -1.10067832854015 -3.3106 -0.9575 1001998 BPBio1_000375 Nc1ccc(CCN2CCN(CC2)c3cccc(c3)C(F)(F)F)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B02 compound treatment 0.164 0.509 0.51 0.27 0.628 0.58 0.249 0.50208243902439 0.629479673650221 0.9911 0.9961 907126 BPBio1_000376 NC/C=C\C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B03 compound treatment -0.339 0.00607 0.01 -0.602 -0.244 -0.23 -0.426 -0.17291756097561 -0.216793262203763 -0.2523 -0.805 429 BPBio1_000377 NCCc1c[nH]c2ccc(O)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B04 compound treatment -0.158 0.187 0.19 -0.263 0.0946 0.09 -0.43 -0.17691756097561 -0.221808212934749 0.0299 0.0988 3189566 BPBio1_000378 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7cccc(Oc(c1O)c32)c7)N(C)CCc6cc5OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B05 compound treatment -0.074 0.271 0.27 -0.101 0.257 0.24 0.023 0.27608243902439 0.34613495734948 0.4926 0.9874 1000242 BPBio1_000379 CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B06 compound treatment 0.048 0.393 0.39 0.207 0.565 0.52 0.023 0.27608243902439 0.34613495734948 0.7273 0.9844 907285 BPBio1_000380 CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B07 compound treatment -0.317 0.0281 0.03 -0.102 0.256 0.24 0.012 0.26508243902439 0.332343842839267 0.3446 0.8427 3189438 BPBio1_000381 Cc1n[nH]c(=O)[nH]c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B08 compound treatment -0.253 0.0921 0.09 -0.027 0.331 0.31 0.201 0.45408243902439 0.569300264878382 0.5583 0.8552 961 BPBio1_000382 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B09 compound treatment -0.103 0.242 0.24 -0.242 0.116 0.11 -0.007 0.24608243902439 0.308522826867081 0.3789 0.934 1077918 BPBio1_000383 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B10 compound treatment 0.256 0.601 0.6 1.012 1.37 1.26 0.166 0.41908243902439 0.52541944598225 1.3763 0.9231 3616747 BPBio1_000384 CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B11 compound treatment -0.316 0.0291 0.03 -0.507 -0.149 -0.14 -0.117 0.13608243902439 0.17061168176495 0.0353 0.1594 3173761 BPBio1_000385 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B12 compound treatment -0.335 0.0101 0.01 0.097 0.455 0.42 0.367 0.62008243902439 0.777420720214325 0.6977 0.7891 1000124 BPBio1_000386 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B13 compound treatment 0.198 0.543 0.54 -0.481 -0.123 -0.11 -0.268 -0.01491756097561 -0.0187027083297931 0.2349 0.4255 3189439 BPBio1_000387 CC(C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)C(C)C)[C@@H](C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B14 compound treatment 0.207 0.552 0.55 0.523 0.881 0.82 0.055 0.30808243902439 0.386254563197372 1.0107 0.957 976 BPBio1_000388 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B15 compound treatment -0.37 -0.0249 -0.02 -0.273 0.0846 0.08 -0.394 -0.14091756097561 -0.17667365635587 -0.0711 -0.3648 3587 BPBio1_000389 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B16 compound treatment -0.215 0.13 0.13 -0.281 0.0766 0.07 -0.043 0.21008243902439 0.263388270288202 0.2677 0.8867 3189567 BPBio1_000390 CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)C5[C@]4(OC(=O)C)[C@@H](O)[C@H]6OC)[C@H](C[C@H]2O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B17 compound treatment -0.117 0.228 0.23 -0.128 0.23 0.21 0.09 0.34308243902439 0.430135382093505 0.502 0.9459 3616733 BPBio1_000391 CN(C)CC/C=C/1\c2ccccc2CSc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B18 compound treatment 0.142 0.487 0.48 0.369 0.727 0.67 0.406 0.65908243902439 0.826316489841444 1.1451 0.9783 3141 BPBio1_000392 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B19 compound treatment 0.03 0.375 0.37 0.025 0.383 0.35 0.634 0.88708243902439 1.11216868150768 1.0619 0.8666 3616734 BPBio1_000393 CC(C)(O/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccccc3)/c4csc(N)n4)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B20 compound treatment -0.28 0.0651 0.06 -0.332 0.0256 0.02 0.081 0.33408243902439 0.418851742948785 0.2929 0.6899 3068781 BPBio1_000394 CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B21 compound treatment 0.119 0.464 0.46 -0.107 0.251 0.23 0.215 0.46808243902439 0.586852592436835 0.7392 0.9455 3060173 BPBio1_000395 NC(=N)NCc1cccc(I)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B22 compound treatment -0.208 0.137 0.14 -0.337 0.0206 0.02 -0.182 0.07108243902439 0.0891187323864182 0.1411 0.861 2081037 BPBio1_000396 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B23 mock treatment -0.156 0.189 0.19 -0.728 -0.37 -0.34 -0.153 0.10008243902439 0.125477125186071 -0.017 -0.0415 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 B24 mock treatment -0.057 0.288 0.29 -0.118 0.24 0.22 -0.021 0.23208243902439 0.290970499308628 0.4614 0.9931 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C01 compound treatment -0.826 -0.481 -0.48 -0.081 0.277 0.26 -0.137 0.11608243902439 0.145536928110017 -0.0441 -0.0786 1444554 BPBio1_000397 C(N1CCN(CC1)c2nc3ccccc3s2)c4ccc5OCOc5c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C02 compound treatment -1.334 -0.989 -0.98 0.265 0.623 0.58 -0.124 0.12908243902439 0.161835517985723 -0.1414 -0.1228 417 BPBio1_000398 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C03 compound treatment 0.076 0.421 0.42 0.667 1.02 0.95 0.248 0.50108243902439 0.628225935967474 1.1521 0.9503 907527 BPBio1_000399 C(C#CCN1CCCC1)N2CCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C04 compound treatment -0.19 0.155 0.15 -0.201 0.157 0.15 -0.233 0.02008243902439 0.0251781105663394 0.1873 0.8786 3189308 BPBio1_000400 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C05 compound treatment 2.269 2.61 1.63 17.642 18.0 1.99 10.602 10.8550824390244 2.55658749314355 3.5655 0.9832 1486 BPBio1_000401 CC(C)NCC(O)COc1ccc(NC(=O)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C06 compound treatment 0.215 0.56 0.56 0.232 0.59 0.55 0.401 0.65408243902439 0.820047801427711 1.1101 0.981 336 BPBio1_000402 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C07 compound treatment 0.195 0.54 0.54 -0.282 0.0756 0.07 -0.144 0.10908243902439 0.136760764330791 0.4294 0.7688 1142 BPBio1_000403 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C08 compound treatment 0.269 0.614 0.61 -0.163 0.195 0.18 -0.088 0.16508243902439 0.206970074564603 0.576 0.8606 1023517 BPBio1_000404 NC(=O)Nc1ccc(cc1)[As](=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C09 compound treatment -0.392 -0.0469 -0.05 -0.708 -0.35 -0.32 -0.091 0.16208243902439 0.203208861516363 -0.0969 -0.2513 1192 BPBio1_000405 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C10 compound treatment -0.183 0.162 0.16 -0.084 0.274 0.25 0.208 0.46108243902439 0.578076428657609 0.573 0.8797 360 BPBio1_000406 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C11 compound treatment -0.597 -0.252 -0.25 -0.529 -0.171 -0.16 -0.434 -0.18091756097561 -0.226823163665736 -0.3672 -0.9836 3068881 BPBio1_000407 CCCOc1ccccc1c2nc(=O)c3[nH]nnc3[nH]2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C12 compound treatment 0.075 0.42 0.42 -0.19 0.168 0.16 -0.16 0.09308243902439 0.116700961406844 0.3981 0.8644 2060483 BPBio1_000408 CC(=O)N[C@@H](CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C13 compound treatment -0.317 0.0281 0.03 -0.266 0.0916 0.08 -0.256 -0.00291756097561002 -0.00365785613683334 0.063 0.7046 1471 BPBio1_000409 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C14 compound treatment -1.225 -0.88 -0.87 -1.678 -1.32 -1.22 -0.564 -0.31091756097561 -0.389809062422799 -1.436 -0.9246 3189309 BPBio1_000410 CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C15 compound treatment 0.095 0.44 0.44 -0.042 0.316 0.29 0.292 0.54508243902439 0.683390394008327 0.8159 0.946 2431 BPBio1_000411 CCN(CC)CCNC(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C16 compound treatment -0.13 0.215 0.21 -0.147 0.211 0.2 0.021 0.27408243902439 0.343627481983987 0.4344 0.967 1960 BPBio1_000412 CC(=C)[C@@H]1CC[C@@]2(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)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C17 compound treatment -0.037 0.308 0.31 -0.33 0.0276 0.03 0.067 0.32008243902439 0.401299415390332 0.4233 0.8374 3189186 BPBio1_000413 CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C18 compound treatment -0.382 -0.0369 -0.04 0.134 0.492 0.46 -0.054 0.19908243902439 0.249597155777988 0.3857 0.7411 951 BPBio1_000414 OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C19 compound treatment -0.055 0.29 0.29 -0.573 -0.215 -0.2 -0.365 -0.11191756097561 -0.140315263556217 -0.0297 -0.0786 3368 BPBio1_000415 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C20 compound treatment 0.324 0.669 0.67 0.116 0.474 0.44 0.281 0.53408243902439 0.669599279498114 1.0238 0.9837 982 BPBio1_000416 CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C21 compound treatment -0.57 -0.225 -0.22 0.337 0.695 0.64 0.278 0.53108243902439 0.665838066449874 0.6266 0.658 1001939 BPBio1_000417 OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C22 compound treatment -2.127 -1.78 -1.77 -2.477 -2.12 -1.96 -0.984 -0.73091756097561 -0.916378889176389 -2.6849 -0.9595 3557442 BPBio1_000418 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C23 mock treatment -0.33 0.0151 0.01 -0.425 -0.0674 -0.06 -0.222 0.03108243902439 0.0389692250765525 -0.0049 -0.065 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 C24 mock treatment -0.161 0.184 0.18 -0.258 0.0996 0.09 -0.056 0.19708243902439 0.247089680412495 0.3016 0.9394 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D01 compound treatment -0.094 0.251 0.25 0.651 1.01 0.93 0.094 0.34708243902439 0.435150332824491 0.9345 0.8815 1181 BPBio1_000419 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D02 compound treatment 1.047 1.39 1.35 0.955 1.31 1.22 1.248 1.50108243902439 1.68258603423599 2.4546 0.9906 864 BPBio1_000420 Oc1noc2CNCCc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D03 compound treatment -0.562 -0.217 -0.22 -0.179 0.179 0.17 -0.392 -0.13891756097561 -0.174166180990377 -0.1296 -0.4014 2120971 BPBio1_000421 CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D04 compound treatment 0.504 0.849 0.84 0.332 0.69 0.64 0.15 0.40308243902439 0.505359643058304 1.1478 0.9786 1218 BPBio1_000422 CCCCNc1ccc(cc1)C(=O)OCCN(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D05 compound treatment -0.15 0.195 0.19 -0.122 0.236 0.22 -0.073 0.18008243902439 0.225776139805802 0.3683 0.998 3172716 BPBio1_000423 NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D06 compound treatment 0.028 0.373 0.37 -0.226 0.132 0.12 -0.045 0.20808243902439 0.260880794922708 0.4351 0.9267 1000293 BPBio1_000424 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5ccco5)C(=O)CCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D07 compound treatment -0.234 0.111 0.11 -0.561 -0.203 -0.19 -0.404 -0.15091756097561 -0.189211033183336 -0.1542 -0.5338 1782 BPBio1_000425 COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D08 compound treatment -0.779 -0.434 -0.43 -0.464 -0.106 -0.1 -0.256 -0.00291756097561002 -0.00365785613683334 -0.3081 -0.6961 3198963 BPBio1_000426 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]61CC[C@H](C)CN6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D09 compound treatment 0.487 0.832 0.83 0.031 0.389 0.36 0.258 0.51108243902439 0.640763312794941 1.0553 0.9537 912 BPBio1_000427 CCCc1cc(=O)[nH]c(=S)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D10 compound treatment 0.15 0.495 0.49 -0.156 0.202 0.19 0.57 0.82308243902439 1.03192946981189 0.9877 0.8526 964 BPBio1_000428 CN(C)N=Nc1[nH]cnc1C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D11 compound treatment -0.522 -0.177 -0.18 -0.166 0.192 0.18 -0.132 0.12108243902439 0.15180561652375 0.0885 0.3028 3616735 BPBio1_000429 CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D12 compound treatment -0.149 0.196 0.19 0.205 0.563 0.52 -0.318 -0.06491756097561 -0.0813895924671252 0.3663 0.6516 3616748 BPBio1_000430 CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D13 compound treatment 0.174 0.519 0.52 -0.492 -0.134 -0.12 -0.465 -0.21191756097561 -0.265689031830882 0.0727 0.1225 3487464 BPBio1_000431 CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D14 compound treatment 0.368 0.713 0.71 0.597 0.955 0.88 0.729 0.98208243902439 1.23127376136861 1.6305 0.9744 1092107 BPBio1_000432 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D15 compound treatment 0.1 0.445 0.44 0.215 0.573 0.53 0.468 0.72108243902439 0.904048226171736 1.0835 0.9524 3616736 BPBio1_000433 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)-c8c(O)cc(O)cc8[C@H](NC6=O)C(=O)O)c3O[C@@H]9OC(CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D16 compound treatment 0.245 0.59 0.59 0.178 0.536 0.5 0.152 0.40508243902439 0.507867118423797 0.9182 0.9971 1000115 BPBio1_000434 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D17 compound treatment 0.173 0.518 0.52 0.089 0.447 0.41 -0.069 0.18408243902439 0.230791090536789 0.6694 0.9567 1263 BPBio1_000435 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D18 compound treatment -0.166 0.179 0.18 -0.255 0.103 0.1 -0.144 0.10908243902439 0.136760764330791 0.2366 0.9706 450 BPBio1_000436 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D19 compound treatment -0.9 -0.555 -0.55 -1.049 -0.691 -0.64 -1.007 -0.75391756097561 -0.945214855879562 -1.2339 -0.9731 1489 BPBio1_000437 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D20 compound treatment -0.135 0.21 0.21 -0.22 0.138 0.13 -0.128 0.12508243902439 0.156820567254737 0.2847 0.9797 1084508 BPBio1_000438 COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D21 compound treatment -0.691 -0.346 -0.34 -0.025 0.333 0.31 0.477 0.73008243902439 0.915331865316455 0.5077 0.4953 1113307 BPBio1_000439 CCN(CC)C(=O)c1ccc(O)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D22 compound treatment 0.874 1.22 1.21 0.558 0.916 0.85 -0.08 0.17308243902439 0.216999976026576 1.3145 0.8793 3616749 BPBio1_000440 COc1cc2CC[C@H](N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D23 mock treatment -0.324 0.0211 0.02 0.036 0.394 0.36 -0.34 -0.08691756097561 -0.108971821487551 0.1596 0.4189 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 D24 mock treatment 0.061 0.406 0.4 -0.037 0.321 0.3 0.146 0.39908243902439 0.500344692327317 0.6933 0.9791 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E01 compound treatment 0.197 0.542 0.54 0.509 0.867 0.8 0.701 0.95408243902439 1.1961691062517 1.465 0.9526 3561656 BPBio1_000441 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E02 compound treatment 0.499 0.844 0.84 0.215 0.573 0.53 0.419 0.67208243902439 0.84261507971715 1.2771 0.9808 991 BPBio1_000442 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E03 compound treatment 0.011 0.356 0.35 -0.402 -0.0444 -0.04 -0.103 0.15008243902439 0.188164009323403 0.2893 0.7178 1188 BPBio1_000443 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E04 compound treatment -0.559 -0.214 -0.21 -0.911 -0.553 -0.51 -0.85 -0.59691756097561 -0.748378039688339 -0.8507 -0.9132 3616694 BPBio1_000444 CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E05 compound treatment -0.375 -0.0299 -0.03 0.287 0.645 0.6 0.373 0.62608243902439 0.784943146310805 0.7806 0.7913 1510 BPBio1_000445 CN(C)CCN(Cc1cccs1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E06 compound treatment -0.066 0.279 0.28 0.194 0.552 0.51 -0.131 0.12208243902439 0.153059354206497 0.5434 0.9041 3069011 BPBio1_000446 NCCC(=O)NCCc1c[nH]cn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E07 compound treatment -0.602 -0.257 -0.26 -0.33 0.0276 0.03 -0.402 -0.14891756097561 -0.186703557817843 -0.2405 -0.7577 844 BPBio1_000447 CNCCCN1c2ccccc2CCc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E08 compound treatment -0.097 0.248 0.25 0.003 0.361 0.33 -0.105 0.14808243902439 0.18565653395791 0.4424 0.9728 1409 BPBio1_000448 CCCC(C)(COC(=O)N)COC(=O)NC(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E09 compound treatment -0.431 -0.0859 -0.09 -0.579 -0.221 -0.2 -0.293 -0.03991756097561 -0.0500461503984591 -0.1966 -0.8635 2203 BPBio1_000449 CN(CCCOc1ccc(Cl)cc1Cl)CC#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E10 compound treatment 0.63 0.975 0.97 1.455 1.81 1.38 0.477 0.73008243902439 0.915331865316455 1.8846 0.9823 3189311 BPBio1_000450 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E11 compound treatment -0.177 0.168 0.17 -0.178 0.18 0.17 -0.143 0.11008243902439 0.138014502013537 0.2722 0.9963 1390 BPBio1_000451 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E12 compound treatment 1.489 1.83 1.48 0.231 0.589 0.55 -0.1 0.15308243902439 0.191925222371643 1.2794 0.8057 2117409 BPBio1_000452 COc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E13 compound treatment -0.548 -0.203 -0.2 -1.722 -1.36 -1.26 -0.826 -0.57291756097561 -0.718288335302419 -1.2606 -0.8592 1000329 BPBio1_000453 CNCCC[C@]1(CC[C@H]2c3ccccc31)c4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E14 compound treatment -0.192 0.153 0.15 0.496 0.854 0.79 0.764 1.01708243902439 1.27515458026474 1.2804 0.8491 907205 BPBio1_000454 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E15 compound treatment -0.283 0.0621 0.06 -0.519 -0.161 -0.15 -0.392 -0.13891756097561 -0.174166180990377 -0.1512 -0.6363 3189187 BPBio1_000455 Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E16 compound treatment -0.451 -0.106 -0.11 -0.56 -0.202 -0.19 -0.501 -0.24791756097561 -0.310823588409761 -0.3485 -0.922 3173763 BPBio1_000456 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E17 compound treatment -0.45 -0.105 -0.1 -0.438 -0.0804 -0.07 -0.794 -0.54091756097561 -0.678168729454527 -0.4947 -0.7168 801 BPBio1_000457 CN(C)CC/C=C/1\c2ccccc2Sc3ccc(Cl)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E18 compound treatment -0.261 0.0841 0.08 -0.186 0.172 0.16 -0.34 -0.08691756097561 -0.108971821487551 0.0771 0.367 3180147 BPBio1_000458 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E19 compound treatment -1.247 -0.902 -0.9 -0.379 -0.0214 -0.02 -0.435 -0.18191756097561 -0.228076901348482 -0.6608 -0.7141 1000292 BPBio1_000459 C[C@H](NCCc1ccc(O)cc1)[C@H](O)c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E20 compound treatment -1.449 -1.1 -1.1 -1.017 -0.659 -0.61 -1.265 -1.01191756097561 -1.2686791780282 -1.7186 -0.9627 2838 BPBio1_000460 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E21 compound treatment 0.146 0.491 0.49 -0.12 0.238 0.22 0.086 0.33908243902439 0.425120431362518 0.6543 0.957 417 BPBio1_000461 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E22 compound treatment -0.283 0.0621 0.06 -0.8 -0.442 -0.41 -0.137 0.11608243902439 0.145536928110017 -0.1168 -0.2661 3616697 BPBio1_000462 CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c3cc(Cl)c(N)cc3OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E23 mock treatment -0.348 -0.00293 0.0 -0.144 0.214 0.2 -0.089 0.16408243902439 0.205716336881856 0.2313 0.8104 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 E24 mock treatment 0.731 1.08 1.07 0.311 0.669 0.62 -0.061 0.19208243902439 0.240820991998762 1.1141 0.8847 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F01 compound treatment 0.973 1.32 1.31 0.372 0.73 0.68 -0.355 -0.10191756097561 -0.127777886728751 1.0728 0.725 920 BPBio1_000463 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F02 compound treatment 0.199 0.544 0.54 1.026 1.38 1.27 0.386 0.63908243902439 0.801241736186511 1.5054 0.9454 907532 BPBio1_000464 CP(=O)(O)C1=CCNCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F03 compound treatment -0.202 0.143 0.14 -0.177 0.181 0.17 -0.067 0.18608243902439 0.233298565902282 0.3134 0.9782 1002022 BPBio1_000465 NC(CCC(=O)O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F04 compound treatment -0.081 0.264 0.26 -0.349 0.00861 0.01 -0.434 -0.18091756097561 -0.226823163665736 0.0252 0.0727 3180327 BPBio1_000466 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F05 compound treatment 1.004 1.35 1.34 0.433 0.791 0.73 0.099 0.35208243902439 0.441419021238225 1.4504 0.9132 3616738 BPBio1_000467 OC(CCN1CCCCC1)(C2C[C@H]3C[C@@H]2C=C3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F06 compound treatment -0.392 -0.0469 -0.05 0.287 0.645 0.6 -0.119 0.13408243902439 0.168104206399457 0.4147 0.6669 1054667 BPBio1_000468 CN1C(CC(O)c2ccccc2)CCCC1CC(O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F07 compound treatment 0.253 0.598 0.59 -0.198 0.16 0.15 0.36 0.61308243902439 0.768644556435098 0.8724 0.8875 3487465 BPBio1_000469 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F08 compound treatment -0.01 0.335 0.33 -0.182 0.176 0.16 -0.075 0.17808243902439 0.223268664440309 0.4151 0.9593 959 BPBio1_000470 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F09 compound treatment -0.189 0.156 0.16 -0.118 0.24 0.22 -0.074 0.17908243902439 0.224522402123056 0.3473 0.9874 3189442 BPBio1_000471 CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F10 compound treatment -0.191 0.154 0.15 -0.236 0.122 0.11 -0.013 0.24008243902439 0.301000400770601 0.3272 0.9192 3000363 BPBio1_000472 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F11 compound treatment -0.303 0.0421 0.04 -0.468 -0.11 -0.1 -0.28 -0.02691756097561 -0.0337475605227528 -0.0544 -0.4707 1252 BPBio1_000473 CC(C)NCC(O)c1cc(O)cc(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F12 compound treatment 0.972 1.32 1.31 -0.162 0.196 0.18 -0.087 0.16608243902439 0.208223812247349 0.9808 0.7329 3061052 BPBio1_000474 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F13 compound treatment 0.707 1.05 1.05 0.087 0.445 0.41 0.17 0.42308243902439 0.530434396713236 1.1478 0.9235 3616739 BPBio1_000475 CN[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](OC3OC(=CCC3N)CN)[C@@H]2O)OC[C@@]1(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F14 compound treatment -0.121 0.224 0.22 -0.156 0.202 0.19 -0.009 0.24408243902439 0.306015351501587 0.4131 0.9787 909 BPBio1_000476 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F15 compound treatment -0.275 0.0701 0.07 -0.766 -0.408 -0.38 -0.416 -0.16291756097561 -0.204255885376296 -0.296 -0.6799 353 BPBio1_000477 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F16 compound treatment -0.126 0.219 0.22 -0.167 0.191 0.18 -0.111 0.14208243902439 0.17813410786143 0.3305 0.995 3189572 BPBio1_000478 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F17 compound treatment -0.465 -0.12 -0.12 -0.736 -0.378 -0.35 -0.741 -0.48791756097561 -0.611720632268955 -0.6243 -0.8732 2269 BPBio1_000479 Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F18 compound treatment -0.259 0.0861 0.09 0.427 0.785 0.73 -0.246 0.00708243902438999 0.00887952069063309 0.474 0.6479 1202 BPBio1_000480 COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F19 compound treatment -0.134 0.211 0.21 -0.085 0.273 0.25 0.257 0.51008243902439 0.639509575112194 0.6361 0.8849 2922 BPBio1_000481 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F20 compound treatment -0.334 0.0111 0.01 -0.135 0.223 0.21 -0.583 -0.32991756097561 -0.413630078394985 -0.1135 -0.2454 1220 BPBio1_000482 CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F21 compound treatment -0.008 0.337 0.34 -0.175 0.183 0.17 -0.089 0.16408243902439 0.205716336881856 0.4099 0.9576 1000807 BPBio1_000483 CN1CCN(CC1)C(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F22 compound treatment 0.045 0.39 0.39 0.107 0.465 0.43 0.007 0.26008243902439 0.326075154425534 0.6605 0.9938 3173993 BPBio1_000484 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F23 mock treatment -0.566 -0.221 -0.22 -0.421 -0.0634 -0.06 -0.281 -0.02791756097561 -0.0350012982054994 -0.1809 -0.7865 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 F24 mock treatment -0.277 0.0681 0.07 0.017 0.375 0.35 0.16 0.41308243902439 0.51789701988577 0.5383 0.8586 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G01 compound treatment -0.346 -9.34E-4 0.0 0.635 0.993 0.92 0.27 0.52308243902439 0.655808164987901 0.9087 0.8048 3561657 BPBio1_000485 COc1cc(N)c(Cl)cc1C(=O)CCC2CCN(CCNS(=O)(=O)C)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G02 compound treatment 0.411 0.756 0.75 0.08 0.438 0.41 0.205 0.45808243902439 0.574315215609369 0.9995 0.9712 3314 BPBio1_000486 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G03 compound treatment 0.135 0.48 0.48 0.015 0.373 0.35 -0.094 0.15908243902439 0.199447648468123 0.5899 0.9487 1332 BPBio1_000487 NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G04 compound treatment -0.036 0.309 0.31 0.26 0.618 0.57 0.828 1.08108243902439 1.35539379196053 1.2901 0.8584 1055132 BPBio1_000488 COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G05 compound treatment -0.009 0.336 0.33 -0.003 0.355 0.33 0.153 0.40608243902439 0.509120856106543 0.6764 0.9777 3480458 BPBio1_000489 CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G06 compound treatment -0.243 0.102 0.1 -0.358 -3.9E-4 0.0 -0.273 -0.01991756097561 -0.0249713967435263 0.044 0.4207 3054850 BPBio1_000490 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G07 compound treatment 0.68 1.03 1.02 0.618 0.976 0.9 0.805 1.05808243902439 1.32655782525735 1.8758 0.9867 1048 BPBio1_000491 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G08 compound treatment -0.148 0.197 0.2 -0.212 0.146 0.13 -0.128 0.12508243902439 0.156820567254737 0.2815 0.9881 3189313 BPBio1_000492 C[C@H](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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G09 compound treatment 0.326 0.671 0.67 -0.015 0.343 0.32 0.078 0.33108243902439 0.415090529900545 0.808 0.9535 3616658 BPBio1_000493 C[C@H]1CCC[C@@H](C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G10 compound treatment -0.275 0.0701 0.07 -0.306 0.0516 0.05 -0.611 -0.35791756097561 -0.448734733511891 -0.1913 -0.4189 1037 BPBio1_000494 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G11 compound treatment 1.008 1.35 1.34 0.929 1.29 1.19 0.618 0.87108243902439 1.09210887858373 2.092 0.9965 1105 BPBio1_000495 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G12 compound treatment 0.23 0.575 0.57 -0.072 0.286 0.26 0.258 0.51108243902439 0.640763312794941 0.8527 0.949 3069049 BPBio1_000496 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G13 compound treatment -0.17 0.175 0.17 0.013 0.371 0.34 -0.38 -0.12691756097561 -0.159121328797417 0.2067 0.4965 3068883 BPBio1_000497 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G14 compound treatment -0.09 0.255 0.25 1.118 1.48 1.29 0.343 0.59608243902439 0.747331015828405 1.3245 0.8743 3189314 BPBio1_000498 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1C5=CC(=O)OC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G15 compound treatment -0.222 0.123 0.12 -0.248 0.11 0.1 0.004 0.25708243902439 0.322313941377294 0.3153 0.8774 3189189 BPBio1_000499 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G16 compound treatment -0.195 0.15 0.15 -0.204 0.154 0.14 0.091 0.34408243902439 0.431389119776252 0.4173 0.8729 3189315 BPBio1_000500 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]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G17 compound treatment -0.182 0.163 0.16 -0.41 -0.0524 -0.05 0.16 0.41308243902439 0.51789701988577 0.3646 0.6692 1000342 BPBio1_000501 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G18 compound treatment -0.332 0.0131 0.01 -0.319 0.0386 0.04 -0.297 -0.04391756097561 -0.0550611011294457 -0.0036 -0.0545 1000279 BPBio1_000502 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G19 compound treatment 0.134 0.479 0.48 0.041 0.399 0.37 0.236 0.48908243902439 0.613181083774515 0.8421 0.9795 1000343 BPBio1_000503 COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G20 compound treatment 1.86 2.21 1.56 1.433 1.79 1.37 1.642 1.89508243902439 1.82081575978501 2.7442 0.9934 3069053 BPBio1_000504 CCOC(=O)n1ccn(C)c1=S 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G21 compound treatment 0.349 0.694 0.69 0.247 0.605 0.56 -0.04 0.21308243902439 0.267149483336441 0.8758 0.9439 764 BPBio1_000505 Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)n3c(=O)[nH]c4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G22 compound treatment -0.515 -0.17 -0.17 -0.649 -0.291 -0.27 -0.251 0.00208243902438998 0.00261083227689987 -0.2518 -0.791 1001924 BPBio1_000506 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G23 mock treatment -0.327 0.0181 0.02 -0.362 -0.00439 0.0 -0.345 -0.09191756097561 -0.115240509901284 -0.0585 -0.5014 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 G24 mock treatment -0.141 0.204 0.2 -0.164 0.194 0.18 -0.081 0.17208243902439 0.215746238343829 0.3452 0.9971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H01 compound treatment 0.603 0.948 0.94 0.812 1.17 1.08 -0.193 0.06008243902439 0.0753276178762051 1.2129 0.8437 907371 BPBio1_000507 CN1C2CCC1CC(C2)NC(=O)c3nn(C)c4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H02 compound treatment 0.175 0.52 0.52 -0.072 0.286 0.26 -0.569 -0.31591756097561 -0.396077750836532 0.2225 0.3166 3560375 BPBio1_000508 CCOC(OCC)P(=O)(O)CCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H03 compound treatment -0.256 0.0891 0.09 -0.925 -0.567 -0.53 -1.08 -0.82691756097561 -1.03673770672007 -0.8508 -0.7299 1095093 BPBio1_000509 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H04 compound treatment 0.885 1.23 1.22 0.428 0.786 0.73 0.457 0.71008243902439 0.890257111661523 1.64 0.9771 1000946 BPBio1_000510 COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H05 compound treatment -0.407 -0.0619 -0.06 -0.295 0.0626 0.06 -0.145 0.10808243902439 0.135507026648044 0.0762 0.4768 2141046 BPBio1_000511 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H06 compound treatment -0.683 -0.338 -0.34 -0.378 -0.0204 -0.02 -0.382 -0.12891756097561 -0.16162880416291 -0.2982 -0.7988 3054974 BPBio1_000512 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H07 compound treatment -0.241 0.104 0.1 -0.335 0.0226 0.02 -0.323 -0.06991756097561 -0.0876582808808584 0.0212 0.1546 3068692 BPBio1_000513 CNCCC=C1c2ccccc2C=Cc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H08 compound treatment -0.147 0.198 0.2 0.072 0.43 0.4 -0.175 0.07808243902439 0.0978948961656447 0.3999 0.8797 4895 BPBio1_000514 C[n+]1cccc(c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H09 compound treatment -0.028 0.317 0.32 -0.188 0.17 0.16 -0.215 0.03808243902439 0.047745388855779 0.3002 0.8448 889 BPBio1_000515 NC(=O)c1cnccn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H10 compound treatment -0.012 0.333 0.33 -0.541 -0.183 -0.17 -0.5 -0.24691756097561 -0.309569850727014 -0.0856 -0.1768 915 BPBio1_000516 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H11 compound treatment -0.28 0.0651 0.06 -0.064 0.294 0.27 -0.162 0.09108243902439 0.114193486041351 0.2602 0.862 2900 BPBio1_000517 CN1C(=O)OC(C)(C)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H12 compound treatment 1.597 1.94 1.5 1.1 1.46 1.29 0.749 1.00208243902439 1.25634851502354 2.3373 0.9967 3616751 BPBio1_000518 CN1CC[C@]23[C@@H]4Nc5ccccc5[C@]3(CCN4C)[C@@H]1Nc6ccccc62 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H13 compound treatment -0.703 -0.358 -0.36 -0.656 -0.298 -0.28 -0.309 -0.05591756097561 -0.0701059533224054 -0.4054 -0.8892 1607 BPBio1_000519 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H14 compound treatment 0.251 0.596 0.59 0.114 0.472 0.44 0.315 0.56808243902439 0.712226360711499 1.0055 0.9816 3616752 BPBio1_000520 COc1ccc(cc1OC)C(=O)OC2C[C@H]3CC[C@H](C2)N3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H15 compound treatment 2.287 2.63 1.63 2.534 2.89 1.56 2.344 2.59708243902439 1.99423359109518 2.9903 0.9939 3616740 BPBio1_000521 C[C@H]1O[C@@H](OC/2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)C(=O)O)[C@@H](O)[C@@H](N)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H16 compound treatment -0.139 0.206 0.2 0.036 0.394 0.36 0.051 0.30408243902439 0.381239612466386 0.5488 0.9699 2060325 BPBio1_000522 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H17 compound treatment -0.287 0.0581 0.06 -0.514 -0.156 -0.14 -0.43 -0.17691756097561 -0.221808212934749 -0.1783 -0.6578 3060147 BPBio1_000523 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H18 compound treatment 0.76 1.11 1.1 0.233 0.591 0.55 0.585 0.83808243902439 1.05073553505309 1.5567 0.9635 1076 BPBio1_000524 Cc1cccc(C)c1NC2=NCCCS2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H19 compound treatment -0.283 0.0621 0.06 -0.138 0.22 0.2 -0.074 0.17908243902439 0.224522402123056 0.2827 0.9143 3068724 BPBio1_000525 C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H20 compound treatment 2.29 2.64 1.63 0.57 0.928 0.86 1.276 1.52908243902439 1.69380716610249 2.4146 0.9649 3179848 BPBio1_000526 C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H21 compound treatment 0.084 0.429 0.43 -0.254 0.104 0.1 -0.416 -0.16291756097561 -0.204255885376296 0.1837 0.3807 1448 BPBio1_000527 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H22 compound treatment 0.479 0.824 0.82 0.404 0.762 0.71 0.0 0.25308243902439 0.317298990646307 1.0633 0.9439 1001889 BPBio1_000528 COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H23 mock treatment -0.276 0.0691 0.07 -0.118 0.24 0.22 -0.071 0.18208243902439 0.228283615171295 0.2995 0.9198 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 H24 mock treatment -0.06 0.285 0.28 0.049 0.407 0.38 -0.017 0.23608243902439 0.295985450039614 0.5519 0.9917 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I01 compound treatment 0.042 0.387 0.38 -0.28 0.0776 0.07 -0.156 0.09708243902439 0.121715912137831 0.3339 0.8146 3614608 BPBio1_000529 COc1cc(N)c(Cl)cc1C(=O)OCCCN2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I02 compound treatment 0.343 0.688 0.68 -0.051 0.307 0.28 -0.115 0.13808243902439 0.173119157130443 0.6588 0.8662 52159 BPBio1_000530 COc1ccc2[nH]cc(CCN)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I03 compound treatment -0.245 0.1 0.1 -0.476 -0.118 -0.11 -0.404 -0.15091756097561 -0.189211033183336 -0.1151 -0.4791 3189191 BPBio1_000531 CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I04 compound treatment -0.436 -0.0909 -0.09 -0.41 -0.0524 -0.05 -0.474 -0.22091756097561 -0.276972670975601 -0.2401 -0.8129 386 BPBio1_000532 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I05 compound treatment -0.233 0.112 0.11 -0.172 0.186 0.17 -0.741 -0.48791756097561 -0.611720632268955 -0.1896 -0.294 3068885 BPBio1_000533 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I06 compound treatment -0.328 0.0171 0.02 -0.089 0.269 0.25 -0.114 0.13908243902439 0.17437289481319 0.2541 0.8351 2078 BPBio1_000534 CCCCc1ccc(nc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I07 compound treatment -0.797 -0.452 -0.45 -0.441 -0.0834 -0.08 -0.464 -0.21091756097561 -0.264435294148135 -0.4567 -0.8665 1352 BPBio1_000535 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I08 compound treatment -0.422 -0.0769 -0.08 -0.324 0.0336 0.03 -0.474 -0.22091756097561 -0.276972670975601 -0.1861 -0.6439 907497 BPBio1_000536 COc1ccc(cc1)c2ccc(N)[n+](CCCC(=O)O)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I09 compound treatment -0.119 0.226 0.22 0.076 0.434 0.4 0.173 0.42608243902439 0.534195609761476 0.67 0.9503 3177235 BPBio1_000537 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I10 compound treatment -0.128 0.217 0.22 -0.281 0.0766 0.07 0.105 0.35808243902439 0.448941447334704 0.4247 0.8442 3616701 BPBio1_000538 C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)[C@@]46[C@@H](O)C(=O)O[C@H]6O[C@@]3(C(=O)O5)[C@@]12O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I11 compound treatment -0.825 -0.48 -0.48 -1.029 -0.671 -0.62 -0.556 -0.30291756097561 -0.379779160960826 -0.8537 -0.9803 3189192 BPBio1_000539 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I12 compound treatment 0.115 0.46 0.46 0.269 0.627 0.58 0.148 0.40108243902439 0.50285216769281 0.8894 0.9952 716 BPBio1_000540 CN(C)CCC=C1c2ccccc2C=Cc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I13 compound treatment 0.002 0.347 0.35 -1.912 -1.55 -1.44 -0.859 -0.60591756097561 -0.759661678833059 -1.0704 -0.6434 1000229 BPBio1_000541 Nc1c(Br)cc(Br)cc1CN[C@H]2CC[C@H](O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I14 compound treatment -0.042 0.303 0.3 -0.125 0.233 0.22 0.08 0.33308243902439 0.417598005266038 0.5394 0.9664 1300555 BPBio1_000542 CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I15 compound treatment -0.64 -0.295 -0.29 -2.599 -2.24 -2.08 -1.558 -1.30491756097561 -1.63602431907296 -2.3121 -0.8696 705 BPBio1_000543 CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I16 compound treatment -0.799 -0.454 -0.45 -0.75 -0.392 -0.36 -0.69 -0.43691756097561 -0.547780010448876 -0.7866 -0.9865 2080102 BPBio1_000544 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I17 compound treatment -0.607 -0.262 -0.26 -0.537 -0.179 -0.17 -1.0 -0.74691756097561 -0.936438692100335 -0.7869 -0.798 1000048 BPBio1_000545 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I18 compound treatment -0.208 0.137 0.14 -0.108 0.25 0.23 -0.079 0.17408243902439 0.218253713709322 0.3381 0.9776 1190 BPBio1_000546 Nc1c2C(O)CCCc2nc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I19 compound treatment -0.791 -0.446 -0.44 -0.395 -0.0374 -0.03 -0.209 0.04408243902439 0.0552678149522589 -0.244 -0.5446 1504 BPBio1_000547 O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I20 compound treatment -0.326 0.0191 0.02 0.013 0.371 0.34 -0.267 -0.01391756097561 -0.0174489706470464 0.199 0.5783 992 BPBio1_000548 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I21 compound treatment -0.581 -0.236 -0.23 -1.086 -0.728 -0.67 -0.192 0.06108243902439 0.0765813555589518 -0.4806 -0.6692 2873 BPBio1_000549 CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I22 compound treatment -0.374 -0.0289 -0.03 -0.293 0.0646 0.06 -0.157 0.09608243902439 0.120462174455084 0.0875 0.636 1265 BPBio1_000550 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I23 mock treatment -0.479 -0.134 -0.13 -0.267 0.0906 0.08 -0.294 -0.04091756097561 -0.0512998880812057 -0.0581 -0.3507 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 I24 mock treatment 0.357 0.702 0.7 -0.041 0.317 0.29 0.134 0.38708243902439 0.485299840134357 0.8524 0.9479 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J01 compound treatment -0.381 -0.0359 -0.04 -1.632 -1.27 -1.18 -0.951 -0.69791756097561 -0.87500554564575 -1.2071 -0.8214 3177404 BPBio1_000551 CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J02 compound treatment 0.626 0.971 0.97 1.599 1.96 1.41 0.901 1.15408243902439 1.44691664280103 2.207 0.9856 3560381 BPBio1_000552 NCCCP(=O)(O)CC1CCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J03 compound treatment -0.239 0.106 0.11 -0.041 0.317 0.29 -0.14 0.11308243902439 0.141775715061777 0.312 0.9115 821975 BPBio1_000553 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J04 compound treatment -0.29 0.0551 0.05 0.039 0.397 0.37 -0.068 0.18508243902439 0.232044828219535 0.3776 0.8624 3616753 BPBio1_000554 COc1ccc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J05 compound treatment -0.008 0.337 0.34 0.059 0.417 0.39 0.108 0.36108243902439 0.452702660382944 0.6776 0.9925 3616742 BPBio1_000555 CCC(C)[C@@H]1N[C@@H]2C=Cc3c(cc(nc3[C@H]2O)C(=O)O[C@H](C)[C@@H]4NC(=O)c5csc(n5)[C@@H](NC(=O)[C@H]6CSC(=N6)/C(=C\C)/NC(=O)[C@@H](NC(=O)c7csc(n7)[C@]8(CCC(=N[C@H]8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC1=O)[C@@H](C)O)[C@@](C)(O)[C@@H](C)O)[C@H](C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J06 compound treatment 3.329 3.67 1.75 0.609 0.967 0.9 2.007 2.26008243902439 1.91985003822682 2.636 0.9592 3616754 BPBio1_000556 CC[C@@H]1[C@@H](O)N2[C@@H]3CC45[C@H](O)C3C1C[C@H]2[C@@H]5N(C)c6ccccc64 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J07 compound treatment -0.018 0.327 0.33 -0.376 -0.0184 -0.02 -0.387 -0.13391756097561 -0.167897492576643 0.081 0.221 3177255 BPBio1_000557 CS(=N)(=O)CC[C@H](N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J08 compound treatment 0.027 0.372 0.37 0.992 1.35 1.25 0.575 0.82808243902439 1.03819815822563 1.5345 0.9209 1539 BPBio1_000558 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J09 compound treatment 0.049 0.394 0.39 0.0 0.358 0.33 -0.353 -0.09991756097561 -0.125270411363258 0.345 0.6534 737 BPBio1_000559 c1nc(cs1)c2nc3ccccc3[nH]2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J10 compound treatment -0.738 -0.393 -0.39 -0.617 -0.259 -0.24 -0.492 -0.23891756097561 -0.299539949265041 -0.5371 -0.9807 3069522 BPBio1_000560 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J11 compound treatment 0.34 0.685 0.68 0.415 0.773 0.72 0.378 0.63108243902439 0.791211834724538 1.2631 0.998 3189445 BPBio1_000561 CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c4c(O)c(/C=N/N5CCN(C)CC5)c(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c4c(O)c3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J12 compound treatment -0.128 0.217 0.22 -0.121 0.237 0.22 0.056 0.30908243902439 0.387508300880119 0.4748 0.9598 3100 BPBio1_000562 COc1c2OCOc2cc3CCN(C)Cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J13 compound treatment 4.338 4.68 1.83 14.285 14.6 1.96 11.495 11.7480824390244 2.57831513192512 3.6755 0.9883 803 BPBio1_000563 CCc1cc(ccn1)C(=S)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J14 compound treatment 0.382 0.727 0.72 0.605 0.963 0.89 0.141 0.39408243902439 0.494076003913584 1.2172 0.9742 1000122 BPBio1_000564 O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J15 compound treatment -0.129 0.216 0.21 -0.259 0.0986 0.09 -0.149 0.10408243902439 0.130492075917057 0.2521 0.9427 900 BPBio1_000565 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J16 compound treatment 0.264 0.609 0.61 0.676 1.03 0.96 0.367 0.62008243902439 0.777420720214325 1.351 0.9835 1039 BPBio1_000566 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J17 compound treatment -0.475 -0.13 -0.13 -0.692 -0.334 -0.31 -0.633 -0.37991756097561 -0.476316962532317 -0.5283 -0.9069 3068731 BPBio1_000567 CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J18 compound treatment 0.446 0.791 0.79 0.261 0.619 0.57 0.619 0.87208243902439 1.09336261626648 1.416 0.9675 2082296 BPBio1_000568 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J19 compound treatment 0.085 0.43 0.43 0.051 0.409 0.38 0.065 0.31808243902439 0.398791940024839 0.6955 0.9987 4379 BPBio1_000569 CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J20 compound treatment -0.611 -0.266 -0.26 -0.301 0.0566 0.05 -0.193 0.06008243902439 0.0753276178762051 -0.0789 -0.2819 994 BPBio1_000570 N[C@@H](CCONC(=N)N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J21 compound treatment 0.027 0.372 0.37 -0.136 0.222 0.21 -0.077 0.17608243902439 0.220761189074816 0.4595 0.963 1470254 BPBio1_000571 Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J22 compound treatment -0.149 0.196 0.19 -0.28 0.0776 0.07 -0.11 0.14308243902439 0.179387845544176 0.2576 0.9385 1530 BPBio1_000572 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J23 mock treatment -0.159 0.186 0.18 -0.102 0.256 0.24 -0.051 0.20208243902439 0.253358368826228 0.3897 0.9917 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 J24 mock treatment -0.233 0.112 0.11 -0.178 0.18 0.17 0.01 0.26308243902439 0.329836367473774 0.3508 0.9091 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K01 compound treatment 0.176 0.521 0.52 -0.166 0.192 0.18 -0.184 0.06908243902439 0.0866112570209249 0.4515 0.8145 3561678 BPBio1_000573 COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC3CCN(CCNS(=O)(=O)C)CC3)cc(OC)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K02 compound treatment -0.604 -0.259 -0.26 0.292 0.65 0.6 0.193 0.44608243902439 0.559270363416409 0.5215 0.6059 907505 BPBio1_000574 CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K03 compound treatment 0.071 0.416 0.41 -0.101 0.257 0.24 -0.023 0.23008243902439 0.288463023943134 0.5425 0.9732 771 BPBio1_000575 CN1CCC(=C2c3ccsc3C(=O)Cc4ccccc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K04 compound treatment -0.174 0.171 0.17 -0.092 0.266 0.25 0.455 0.70808243902439 0.887749636296029 0.7527 0.8035 1055159 BPBio1_000576 NC(CC(=O)c1cccc(O)c1N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K05 compound treatment -0.121 0.224 0.22 -0.248 0.11 0.1 0.124 0.37708243902439 0.472762463306891 0.4602 0.8643 907283 BPBio1_000577 NC(=N)N1CCc2ccccc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K06 compound treatment -0.456 -0.111 -0.11 -0.14 0.218 0.2 -0.184 0.06908243902439 0.0866112570209249 0.1027 0.4182 3189433 BPBio1_000578 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K07 compound treatment 0.195 0.54 0.54 0.615 0.973 0.9 0.212 0.46508243902439 0.583091379388595 1.1666 0.9724 1000064 BPBio1_000579 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K08 compound treatment -0.198 0.147 0.15 -0.251 0.107 0.1 -0.25 0.00308243902438998 0.00386456995964652 0.1436 0.814 3616708 BPBio1_000580 COC1=C[C@H]2[C@H](C3=C2c4c(OC)c(OC)c(OC)cc4CC[C@@H]3NC(=O)C)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K09 compound treatment -0.512 -0.167 -0.17 -0.018 0.34 0.31 -0.072 0.18108243902439 0.227029877488549 0.2168 0.5139 991 BPBio1_000581 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K10 compound treatment -0.322 0.0231 0.02 0.191 0.549 0.51 0.618 0.87108243902439 1.09210887858373 0.9371 0.7778 1134 BPBio1_000582 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K11 compound treatment -0.539 -0.194 -0.19 -0.378 -0.0204 -0.02 -0.352 -0.09891756097561 -0.124016673680511 -0.1938 -0.8426 1496 BPBio1_000583 CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K12 compound treatment -0.291 0.0541 0.05 -0.004 0.354 0.33 -0.176 0.07708243902439 0.0966411584828981 0.2759 0.7982 3174101 BPBio1_000584 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K13 compound treatment -0.252 0.0931 0.09 -0.356 0.00161 0.0 -0.344 -0.09091756097561 -0.113986772218538 -0.0115 -0.0785 3068886 BPBio1_000585 CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K14 compound treatment 0.133 0.478 0.48 0.15 0.508 0.47 0.546 0.79908243902439 1.00183976542597 1.1242 0.9334 3616712 BPBio1_000586 CN(C)[C@H]1[C@@H]2[C@@H](O)C3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N.OC(=O)c1cc(ccc1O)S(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K15 compound treatment -0.343 0.00207 0.0 -1.346 -0.988 -0.92 -1.055 -0.80191756097561 -1.0053942646514 -1.1077 -0.8147 975 BPBio1_000587 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K16 compound treatment -0.18 0.165 0.16 -0.423 -0.0654 -0.06 -0.035 0.21808243902439 0.273418171750175 0.2176 0.6705 1035 BPBio1_000588 Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K17 compound treatment -0.272 0.0731 0.07 -0.46 -0.102 -0.09 0.214 0.46708243902439 0.585598854754088 0.3253 0.5443 1000105 BPBio1_000589 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K18 compound treatment -0.109 0.236 0.23 0.356 0.714 0.66 0.349 0.60208243902439 0.754853441924885 0.9528 0.9248 988 BPBio1_000590 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K19 compound treatment -0.008 0.337 0.34 -0.279 0.0786 0.07 -0.255 -0.00191756097561002 -0.0024041184540867 0.2341 0.6827 341 BPBio1_000591 N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K20 compound treatment -0.605 -0.26 -0.26 0.245 0.603 0.56 -0.504 -0.25091756097561 -0.314584801458001 -0.0087 -0.0126 449 BPBio1_000592 CC1=CC(=O)c2ccccc2C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K21 compound treatment -0.506 -0.161 -0.16 0.048 0.406 0.38 -0.047 0.20608243902439 0.258373319557215 0.2736 0.5664 2777 BPBio1_000593 COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K22 compound treatment -0.082 0.263 0.26 1.033 1.39 1.27 0.649 0.90208243902439 1.13097474674888 1.5358 0.8935 3069122 BPBio1_000594 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.COC(N)(CO)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K23 mock treatment -0.253 0.0921 0.09 -0.162 0.196 0.18 -0.232 0.02108243902439 0.0264318482490861 0.1727 0.8438 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 K24 mock treatment -0.26 0.0851 0.08 -0.15 0.208 0.19 -0.182 0.07108243902439 0.0891187323864182 0.2113 0.926 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L01 compound treatment 1.23 1.58 1.41 0.065 0.423 0.39 1.432 1.68508243902439 1.75208943468595 2.052 0.8987 907368 BPBio1_000595 CC(C)n1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c4cccc1c24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L02 compound treatment 1.335 1.68 1.44 1.987 2.34 1.48 1.081 1.33408243902439 1.61008788554033 2.6157 0.9988 3614707 BPBio1_000596 CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L03 compound treatment 2.18 2.53 1.61 1.337 1.69 1.35 2.265 2.51808243902439 1.97800150547109 2.8536 0.9881 907463 BPBio1_000597 Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L04 compound treatment 0.11 0.455 0.45 0.063 0.421 0.39 0.334 0.58708243902439 0.736047376683686 0.911 0.9613 1578 BPBio1_000598 CC1=NCCc2c1[nH]c3cc(O)ccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L05 compound treatment -0.126 0.219 0.22 -0.455 -0.0974 -0.09 -0.134 0.11908243902439 0.149298141158257 0.1599 0.573 1024517 BPBio1_000599 COc1cc2CCNC(C)c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L06 compound treatment -0.517 -0.172 -0.17 -0.322 0.0356 0.03 -0.563 -0.30991756097561 -0.388555324740052 -0.304 -0.714 1043296 BPBio1_000600 Cc1nccc2c3ccc(O)cc3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L07 compound treatment -0.07 0.275 0.27 -0.109 0.249 0.23 -0.025 0.22808243902439 0.285955548577641 0.4559 0.9959 1193 BPBio1_000601 CCOc1ccc(NC(=O)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L08 compound treatment -0.01 0.335 0.33 0.083 0.441 0.41 0.064 0.31708243902439 0.397538202342092 0.6574 0.9962 297849 BPBio1_000602 COc1ccc2c(c1)[nH]c3c(C)nccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L09 compound treatment -0.006 0.339 0.34 -0.288 0.0696 0.06 -0.069 0.18408243902439 0.230791090536789 0.3651 0.8827 3474094 BPBio1_000603 OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L10 compound treatment 0.095 0.44 0.44 0.282 0.64 0.59 0.165 0.41808243902439 0.524165708299503 0.8971 0.9926 2057 BPBio1_000604 Cc1c2[nH]c3ccccc3c2c(C)c4cnccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L11 compound treatment -0.977 -0.632 -0.63 -0.553 -0.195 -0.18 -0.413 -0.15991756097561 -0.200494672328056 -0.5829 -0.8524 3058468 BPBio1_000605 COc1ccc(OC)c(c1)C(O)C(C)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L12 compound treatment -0.232 0.113 0.11 -0.137 0.221 0.2 -0.057 0.19608243902439 0.245835942729748 0.3248 0.9585 3069524 BPBio1_000606 O=C1C=CC(=O)c2c1ccc3c2ccc4ccccc43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L13 compound treatment -0.199 0.146 0.15 0.855 1.21 1.12 0.619 0.87208243902439 1.09336261626648 1.3633 0.8662 1001857 BPBio1_000607 CC(C)NC[C@@H](O)COc1ccc(CC(=O)N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L14 compound treatment -0.748 -0.403 -0.4 -0.802 -0.444 -0.41 -0.565 -0.31191756097561 -0.391062800105546 -0.6946 -0.9998 3616759 BPBio1_000608 CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc2cccc(c2)[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L15 compound treatment 0.451 0.796 0.79 0.301 0.659 0.61 0.09 0.34308243902439 0.430135382093505 1.0574 0.972 904 BPBio1_000609 NC(=O)CN1CCCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L16 compound treatment -0.528 -0.183 -0.18 -0.369 -0.0114 -0.01 -0.44 -0.18691756097561 -0.234345589762216 -0.2464 -0.8301 1494 BPBio1_000610 C1CN(CCN1)c2ccc3ccccc3n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L17 compound treatment 0.106 0.451 0.45 -0.615 -0.257 -0.24 -0.086 0.16708243902439 0.209477549930096 0.2422 0.441 948 BPBio1_000611 O=C1C(C(=O)c2ccccc12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L18 compound treatment 2.645 2.99 1.68 2.92 3.28 1.6 1.685 1.93808243902439 1.83371016027942 2.95 0.9984 3616761 BPBio1_000612 C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L19 compound treatment 0.018 0.363 0.36 0.0 0.358 0.33 0.024 0.27708243902439 0.347388695032227 0.6001 0.9994 3189446 BPBio1_000613 COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CCC(NC(=O)C)c4cc(=O)c(SC)ccc4-c3c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L20 compound treatment 0.067 0.412 0.41 0.044 0.402 0.37 -0.244 0.00908243902438999 0.0113869960561264 0.4578 0.8273 3043 BPBio1_000614 C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L21 compound treatment 0.038 0.383 0.38 -0.107 0.251 0.23 -0.115 0.13808243902439 0.173119157130443 0.4538 0.9486 3068774 BPBio1_000615 Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L22 compound treatment 0.087 0.432 0.43 0.095 0.453 0.42 0.342 0.59508243902439 0.746077278145659 0.9207 0.9616 1035065 BPBio1_000616 Cc1nccc2c3ccccc3[nH]c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L23 mock treatment -0.747 -0.402 -0.4 -0.332 0.0256 0.02 -0.36 -0.10691756097561 -0.134046575142484 -0.2944 -0.6974 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 L24 mock treatment -0.599 -0.254 -0.25 -0.17 0.188 0.17 -0.171 0.08208243902439 0.102909846896631 0.014 0.0432 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M01 compound treatment 0.005 0.35 0.35 0.109 0.467 0.43 0.206 0.45908243902439 0.575568953292115 0.7827 0.9791 3060500 BPBio1_000617 O=C(OCCN1CCCCC1)c2c[nH]c3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M02 compound treatment 0.068 0.413 0.41 0.299 0.657 0.61 -0.14 0.11308243902439 0.141775715061777 0.67 0.8966 1761 BPBio1_000618 CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M03 compound treatment -0.475 -0.13 -0.13 -1.98 -1.62 -1.5 -1.152 -0.89891756097561 -1.12700681987782 -1.5926 -0.846 907366 BPBio1_000619 Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M04 compound treatment -0.439 -0.0939 -0.09 -0.605 -0.247 -0.23 -0.395 -0.14191756097561 -0.177927394038617 -0.2889 -0.9481 2830 BPBio1_000620 Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M05 compound treatment 0.018 0.363 0.36 0.033 0.391 0.36 -0.265 -0.01191756097561 -0.0149414952815531 0.4086 0.7993 3480396 BPBio1_000621 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M06 compound treatment 2.23 2.58 1.62 1.044 1.4 1.27 1.061 1.31408243902439 1.60070212070501 2.5936 0.9943 3616717 BPBio1_000622 Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M07 compound treatment -0.947 -0.602 -0.6 -0.581 -0.223 -0.21 -0.399 -0.14591756097561 -0.182942344769603 -0.5705 -0.8657 86 BPBio1_000623 COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M08 compound treatment -0.12 0.225 0.22 0.323 0.681 0.63 -0.061 0.19208243902439 0.240820991998762 0.6321 0.8893 3616719 BPBio1_000624 CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M09 compound treatment -0.059 0.286 0.28 -0.391 -0.0334 -0.03 -0.09 0.16308243902439 0.204462599199109 0.2644 0.7519 1210 BPBio1_000625 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M10 compound treatment -0.481 -0.136 -0.14 -0.45 -0.0924 -0.09 -0.136 0.11708243902439 0.146790665792764 -0.0427 -0.1965 3616721 BPBio1_000626 C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M11 compound treatment 0.635 0.98 0.97 0.443 0.801 0.74 0.103 0.35608243902439 0.446433971969211 1.2483 0.9579 1135 BPBio1_000627 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M12 compound treatment 0.142 0.487 0.48 0.389 0.747 0.69 0.095 0.34808243902439 0.436404070507238 0.9307 0.9795 2181 BPBio1_000628 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M13 compound treatment -0.406 -0.0609 -0.06 -0.645 -0.287 -0.27 -0.353 -0.09991756097561 -0.125270411363258 -0.2609 -0.8689 907273 BPBio1_000629 Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M14 compound treatment 0.362 0.707 0.7 -0.541 -0.183 -0.17 -0.252 0.00108243902438998 0.00135709459415323 0.3086 0.4267 1733214 BPBio1_000630 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M15 compound treatment -0.119 0.226 0.22 -0.617 -0.259 -0.24 -0.368 -0.11491756097561 -0.144076476604457 -0.0921 -0.2565 990 BPBio1_000631 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M16 compound treatment -0.457 -0.112 -0.11 -0.198 0.16 0.15 -0.059 0.19408243902439 0.243328467364255 0.1616 0.5286 895 BPBio1_000632 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M17 compound treatment -0.031 0.314 0.31 -0.049 0.309 0.29 0.128 0.38108243902439 0.477777414037877 0.6211 0.9731 1351 BPBio1_000633 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M18 compound treatment 0.039 0.384 0.38 0.128 0.486 0.45 0.278 0.53108243902439 0.665838066449874 0.8645 0.9718 822 BPBio1_000634 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M19 compound treatment -0.301 0.0441 0.04 -0.223 0.135 0.12 -0.138 0.11508243902439 0.14428319042727 0.1806 0.9229 3060108 BPBio1_000635 CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M20 compound treatment -0.266 0.0791 0.08 -0.243 0.115 0.11 0.1 0.35308243902439 0.442672758920971 0.3622 0.7841 1067495 BPBio1_000636 [O-][N+](=O)c1cnc(s1)N2CCNC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M21 compound treatment -0.162 0.183 0.18 -0.431 -0.0734 -0.07 -0.005 0.24808243902439 0.311030302232574 0.2454 0.6692 3616670 BPBio1_000637 C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M22 compound treatment -0.033 0.312 0.31 -0.337 0.0206 0.02 -0.03 0.22308243902439 0.279686860163908 0.3516 0.8409 3069161 BPBio1_000638 NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M23 mock treatment 0.44 0.785 0.78 3.045 3.4 1.61 0.728 0.98108243902439 1.23002002368586 2.0907 0.9627 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 M24 mock treatment 0.181 0.526 0.52 0.268 0.626 0.58 0.085 0.33808243902439 0.423866693679772 0.8811 0.9921 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N01 compound treatment -0.084 0.261 0.26 0.061 0.419 0.39 0.297 0.55008243902439 0.68965908242206 0.7718 0.927 2079 BPBio1_000639 NC1CC(=CC=C1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N02 compound treatment -0.275 0.0701 0.07 -0.343 0.0146 0.01 -0.159 0.09408243902439 0.117954699089591 0.1161 0.8436 3614708 BPBio1_000640 C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c2ccc(Cl)c(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N03 compound treatment -0.059 0.286 0.28 -0.209 0.149 0.14 0.068 0.32108243902439 0.402553153073079 0.4761 0.9303 1309 BPBio1_000641 Cc1cc(C2CCCCC2)n(O)c(=O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N04 compound treatment 0.792 1.14 1.13 1.508 1.87 1.39 0.386 0.63908243902439 0.801241736186511 1.9185 0.9771 1048750 BPBio1_000642 COc1ccc2[nH]c3C(=NCCc3c2c1)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N05 compound treatment -0.513 -0.168 -0.17 -0.645 -0.287 -0.27 -0.74 -0.48691756097561 -0.610466894586208 -0.6025 -0.8775 722 BPBio1_000643 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N06 compound treatment 0.01 0.355 0.35 0.063 0.421 0.39 -0.546 -0.29291756097561 -0.36724178413336 0.2166 0.3378 3069526 BPBio1_000644 C[N+]1(C)CCC[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N07 compound treatment 0.133 0.478 0.48 0.021 0.379 0.35 0.213 0.46608243902439 0.584345117071342 0.8142 0.98 1213 BPBio1_000645 CNCCc1ccccn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N08 compound treatment -1.32 -0.975 -0.97 -1.663 -1.31 -1.21 -0.45 -0.19691756097561 -0.246882966589682 -1.4 -0.8923 2709 BPBio1_000646 Cc1ncc(CO)c(CO)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N09 compound treatment 0.084 0.429 0.43 0.246 0.604 0.56 -0.183 0.07008243902439 0.0878649947036716 0.6197 0.8746 3177389 BPBio1_000647 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N10 compound treatment 1.443 1.79 1.47 3.138 3.5 1.62 1.905 2.15808243902439 1.89438274814671 2.8761 0.9944 3560436 BPBio1_000648 O=c1cccc2[C@H]3CNC[C@H](C3)Cn21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N11 compound treatment -0.033 0.312 0.31 0.35 0.708 0.66 0.183 0.43608243902439 0.546732986588943 0.8731 0.9615 1000096 BPBio1_000649 C1CN2CC(N=C2S1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N12 compound treatment -0.317 0.0281 0.03 -0.224 0.134 0.12 0.072 0.32508243902439 0.407568103804065 0.3228 0.7564 1039072 BPBio1_000650 CN1C2CCCC1CC(=O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N13 compound treatment -0.003 0.342 0.34 -0.385 -0.0274 -0.03 -0.409 -0.15591756097561 -0.19547972159707 0.0688 0.1751 3068775 BPBio1_000651 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N14 compound treatment 0.209 0.554 0.55 -0.209 0.149 0.14 -0.017 0.23608243902439 0.295985450039614 0.5684 0.8877 3189579 BPBio1_000652 CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N15 compound treatment -0.143 0.202 0.2 0.191 0.549 0.51 0.078 0.33108243902439 0.415090529900545 0.6489 0.9458 3616743 BPBio1_000653 CCOC(=O)/N=c\1/c[n+]([n-]o1)N2CCOCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N16 compound treatment 3.012 3.36 1.72 7.235 7.59 1.83 5.04 5.29308243902439 2.31860289888408 3.3878 0.9913 1117 BPBio1_000654 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N17 compound treatment 0.157 0.502 0.5 0.158 0.516 0.48 -0.179 0.07408243902439 0.0928799454346581 0.6174 0.886 1000114 BPBio1_000655 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N18 compound treatment -0.268 0.0771 0.08 -0.126 0.232 0.21 0.285 0.53808243902439 0.6746142302291 0.5575 0.783 3189580 BPBio1_000656 C[C@@H]1NCCc2cc(O)c(O)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N19 compound treatment 0.065 0.41 0.41 0.377 0.735 0.68 0.044 0.29708243902439 0.372463448687159 0.8431 0.9623 1365793 BPBio1_000657 COc1ccc(CN2CCNCC2)c(OC)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N20 compound treatment 1.297 1.64 1.43 1.799 2.16 1.45 1.171 1.42408243902439 1.65039905963595 2.6146 0.9978 1014994 BPBio1_000658 CN(C)Cc1c[nH]c2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N21 compound treatment 0.036 0.381 0.38 0.057 0.415 0.38 -0.011 0.24208243902439 0.303507876136094 0.6156 0.9947 3103826 BPBio1_000659 C/C/1=C\CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N22 compound treatment -0.204 0.141 0.14 -0.21 0.148 0.14 0.068 0.32108243902439 0.402553153073079 0.3923 0.8763 3189581 BPBio1_000660 CCCCc1cc2ccccc2c(OCCN(C)C)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N23 mock treatment 0.072 0.417 0.41 -0.141 0.217 0.2 -0.016 0.23708243902439 0.297239187722361 0.5268 0.961 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 N24 mock treatment -0.511 -0.166 -0.16 -0.215 0.143 0.13 -0.074 0.17908243902439 0.224522402123056 0.1106 0.3588 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O01 compound treatment -0.498 -0.153 -0.15 -0.279 0.0786 0.07 1.204 1.45708243902439 1.6644395393278 0.9152 0.5471 1393 BPBio1_000661 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O02 compound treatment -2.113 -1.77 -1.76 -1.434 -1.08 -1.0 -0.308 -0.05491756097561 -0.0688522156396587 -1.6299 -0.8062 3177047 BPBio1_000662 CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O03 compound treatment -0.114 0.231 0.23 -0.142 0.216 0.2 -0.099 0.15408243902439 0.19317896005439 0.3594 0.9971 743 BPBio1_000663 CC(C)(C)NCC(O)c1cc(O)cc(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O04 compound treatment -0.109 0.236 0.23 -0.527 -0.169 -0.16 -0.247 0.00608243902438999 0.00762578300788645 0.0493 0.1747 1000325 BPBio1_000664 C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O05 compound treatment -0.358 -0.0129 -0.01 -0.313 0.0446 0.04 -0.013 0.24008243902439 0.301000400770601 0.1902 0.6255 3616672 BPBio1_000665 O[C@H]([C@@H](O)C(=O)O)C(=O)O.Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O06 compound treatment 0.329 0.674 0.67 0.341 0.699 0.65 0.356 0.60908243902439 0.763629605704112 1.2013 0.9974 3616726 BPBio1_000666 CC(C)(CO)C(O)C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)C(O)C(C)(C)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O07 compound treatment -0.018 0.327 0.33 -0.065 0.293 0.27 -0.211 0.04208243902439 0.0527603395867656 0.3746 0.8783 907335 BPBio1_000667 C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)c3ccc(cc3)C4(O)C[N+](C)(C)CCO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O08 compound treatment -0.202 0.143 0.14 -0.261 0.0966 0.09 -0.024 0.22908243902439 0.287209286260388 0.2996 0.9003 3189436 BPBio1_000668 CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O09 compound treatment -0.474 -0.129 -0.13 -0.195 0.163 0.15 0.111 0.36408243902439 0.456463873431184 0.2765 0.5558 698 BPBio1_000669 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O10 compound treatment -0.322 0.0231 0.02 -0.248 0.11 0.1 -0.344 -0.09091756097561 -0.113986772218538 0.006 0.039 1534 BPBio1_000670 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O11 compound treatment 1.92 2.27 1.57 1.439 1.8 1.38 0.971 1.22408243902439 1.5346782805933 2.5862 0.9984 3616675 BPBio1_000671 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O12 compound treatment 0.463 0.808 0.8 -0.094 0.264 0.24 0.347 0.60008243902439 0.752345966559392 1.0391 0.9217 1537011 BPBio1_000672 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O13 compound treatment 0.287 0.632 0.63 0.094 0.452 0.42 0.061 0.31408243902439 0.393776989293852 0.8316 0.9768 3616678 BPBio1_000673 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O14 compound treatment 0.839 1.18 1.18 0.769 1.13 1.04 0.4 0.65308243902439 0.818794063744964 1.7546 0.9895 2551 BPBio1_000674 COc1cc(NC(C)CCCN)c2ncccc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O15 compound treatment -0.283 0.0621 0.06 -0.914 -0.556 -0.52 -0.526 -0.27291756097561 -0.342167030478427 -0.4594 -0.7391 3068926 BPBio1_000675 CCN(CC)CCOc1ccc(cc1)/C(=C(/Cl)\c2ccccc2)/c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O16 compound treatment -0.331 0.0141 0.01 -0.19 0.168 0.16 -0.364 -0.11091756097561 -0.139061525873471 0.0174 0.0833 1072 BPBio1_000676 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O17 compound treatment -0.3 0.0451 0.04 -0.271 0.0866 0.08 -0.1 0.15308243902439 0.191925222371643 0.183 0.8599 3616680 BPBio1_000677 CN1CCCN=C1/C=C/c2cccc(O)c2.OC(=O)c1c(O)cc2ccccc2c1Cc3c(C(=O)O)c(O)cc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O18 compound treatment -0.479 -0.134 -0.13 -1.033 -0.675 -0.63 -1.058 -0.80491756097561 -1.00915547769964 -1.0206 -0.8543 3480329 BPBio1_000678 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O19 compound treatment 0.271 0.616 0.61 -0.382 -0.0244 -0.02 -0.194 0.05908243902439 0.0740738801934585 0.3833 0.6209 1041 BPBio1_000679 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O20 compound treatment -0.814 -0.469 -0.47 -0.107 0.251 0.23 -0.15 0.10308243902439 0.129238338234311 -0.0606 -0.1129 1362 BPBio1_000680 COc1c2occc2cc3ccc(=O)oc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O21 compound treatment -0.236 0.109 0.11 -0.043 0.315 0.29 0.204 0.45708243902439 0.573061477926622 0.5616 0.8615 3075213 BPBio1_000681 COc1ccc(cc1O)[C@@H]2CC(=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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O22 compound treatment -0.406 -0.0609 -0.06 -0.078 0.28 0.26 -0.186 0.06708243902439 0.0841037816554316 0.1631 0.5847 3616730 BPBio1_000682 COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O23 mock treatment 0.186 0.531 0.53 0.145 0.503 0.47 0.111 0.36408243902439 0.456463873431184 0.8371 0.9978 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 O24 mock treatment -0.174 0.171 0.17 -0.026 0.332 0.31 0.0 0.25308243902439 0.317298990646307 0.4587 0.9693 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P01 compound treatment 0.781 1.13 1.12 0.807 1.16 1.08 -0.307 -0.05391756097561 -0.0675984779569121 1.2299 0.7905 3061087 BPBio1_000683 NC/C=C/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P02 compound treatment 0.22 0.565 0.56 -0.114 0.244 0.23 -0.272 -0.01891756097561 -0.0237176590607796 0.4409 0.7277 3614710 BPBio1_000684 C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c2ccc(Cl)c(Cl)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P03 compound treatment 2.797 3.14 1.7 1.305 1.66 1.34 1.449 1.70208243902439 1.7580405926548 2.7699 0.9936 922 BPBio1_000685 CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P04 compound treatment -0.421 -0.0759 -0.08 -0.257 0.101 0.09 -0.343 -0.08991756097561 -0.112733034535791 -0.0549 -0.3335 3382 BPBio1_000686 Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P05 compound treatment 0.465 0.81 0.81 -0.086 0.272 0.25 0.023 0.27608243902439 0.34613495734948 0.81 0.8882 2284 BPBio1_000687 C[C@H](Cc1ccccc1)N(C)CC#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P06 compound treatment -1.799 -1.45 -1.45 -1.498 -1.14 -1.06 -0.327 -0.07391756097561 -0.092673231611845 -1.4977 -0.8355 3487152 BPBio1_000688 CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P07 compound treatment 0.255 0.6 0.6 0.18 0.538 0.5 0.023 0.27608243902439 0.34613495734948 0.8317 0.9778 1020 BPBio1_000689 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P08 compound treatment -0.415 -0.0699 -0.07 -0.198 0.16 0.15 -0.139 0.11408243902439 0.143029452744524 0.1278 0.5885 2041 BPBio1_000690 OC(=O)CNC(=O)C(CS)Cc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P09 compound treatment 0.436 0.781 0.78 0.202 0.56 0.52 0.271 0.52408243902439 0.657061902670647 1.1268 0.9871 196 BPBio1_000691 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P10 compound treatment -0.359 -0.0139 -0.01 -0.1 0.258 0.24 0.052 0.30508243902439 0.382493350149132 0.3506 0.7773 3211 BPBio1_000692 Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P11 compound treatment -0.792 -0.447 -0.44 -0.095 0.263 0.24 -0.208 0.04508243902439 0.0565215526350055 -0.0835 -0.1639 1931603 BPBio1_000693 Oc1ccc(cc1)C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P12 compound treatment -0.174 0.171 0.17 0.106 0.464 0.43 0.096 0.34908243902439 0.437657808189985 0.5987 0.9411 3189582 BPBio1_000694 CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P13 compound treatment 0.633 0.978 0.97 0.466 0.824 0.76 -0.327 -0.07391756097561 -0.092673231611845 0.9482 0.7651 804 BPBio1_000695 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P14 compound treatment 0.282 0.627 0.62 0.467 0.825 0.76 0.13 0.38308243902439 0.480284889403371 1.0781 0.9832 824 BPBio1_000696 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@@](O)(C(=O)OC)n4c5ccccc35 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P15 compound treatment -0.118 0.227 0.23 0.103 0.461 0.43 0.161 0.41408243902439 0.519150757568516 0.6763 0.9542 1001314 BPBio1_000697 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@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P16 compound treatment 0.419 0.764 0.76 0.804 1.16 1.08 1.129 1.38208243902439 1.63196719122366 2.0018 0.9546 3069528 BPBio1_000698 C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P17 compound treatment 0.046 0.391 0.39 -0.212 0.146 0.13 -0.01 0.24308243902439 0.304761613818841 0.4783 0.934 3474312 BPBio1_000699 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P18 compound treatment 2.142 2.49 1.61 1.618 1.98 1.41 1.544 1.79708243902439 1.78999430460949 2.7776 0.9955 3187609 BPBio1_000700 C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P19 compound treatment 0.132 0.477 0.47 -0.232 0.126 0.12 -0.081 0.17208243902439 0.215746238343829 0.4655 0.872 3060137 BPBio1_000701 COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P20 compound treatment 1.069 1.41 1.36 0.629 0.987 0.91 0.892 1.14508243902439 1.43563300365631 2.142 0.9831 3616767 BPBio1_000702 CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C4C[C@]5(O[C@]6(O)[C@H]7[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]5[C@@]41O)[C@@]7(C)CC[C@@H]6OC(=O)[C@](C)(O)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P21 compound treatment 1.157 1.5 1.39 0.364 0.722 0.67 1.661 1.91408243902439 1.82655865018823 2.2422 0.9382 3616746 BPBio1_000703 CC(O)C(=O)C.CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P22 compound treatment 0.507 0.852 0.85 0.633 0.991 0.92 0.666 0.91908243902439 1.15228828735557 1.6839 0.9911 3616768 BPBio1_000704 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P23 mock treatment -0.622 -0.277 -0.28 -0.144 0.214 0.2 -0.225 0.02808243902439 0.0352080120283126 -0.0244 -0.0717 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2321 P24 mock treatment -0.05 0.295 0.29 -0.064 0.294 0.27 0.071 0.32408243902439 0.406314366121319 0.5609 0.9838 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A01 compound treatment 0.119 0.464 0.46 0.266 0.624 0.58 0.179 0.43208243902439 0.541718035857956 0.9125 0.9958 3614712 BPBio1_000705 NCC(CS(=O)(=O)O)c1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A02 compound treatment 0.124 0.469 0.47 0.34 0.698 0.65 0.035 0.28808243902439 0.36117980954244 0.8507 0.9725 3198426 BPBio1_000706 NCC(CC(=O)O)c1ccc(Cl)s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A03 compound treatment -0.038 0.307 0.31 0.203 0.561 0.52 -0.303 -0.04991756097561 -0.0625835272259255 0.4398 0.7264 3187611 BPBio1_000707 COc1cc(ccc1c2nc3ncccc3[nH]2)S(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A04 compound treatment -0.786 -0.441 -0.44 -0.115 0.243 0.22 -0.298 -0.04491756097561 -0.0563148388121923 -0.1559 -0.3145 1606 BPBio1_000708 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A05 compound treatment -0.084 0.261 0.26 0.127 0.485 0.45 0.375 0.62808243902439 0.787450621676298 0.8636 0.916 1254 BPBio1_000709 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A06 compound treatment -0.323 0.0221 0.02 -0.616 -0.258 -0.24 -0.308 -0.05491756097561 -0.0688522156396587 -0.1652 -0.6611 1524 BPBio1_000710 CC(C)Nc1c(C)n(C)n(c2ccccc2)c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A07 compound treatment -0.119 0.226 0.22 0.444 0.802 0.74 0.097 0.35008243902439 0.438911545872731 0.8117 0.9109 3187612 BPBio1_000711 CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A08 compound treatment 0.489 0.834 0.83 0.218 0.576 0.53 0.225 0.47808243902439 0.599389969264302 1.1325 0.9817 883 BPBio1_000712 CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A09 compound treatment -0.589 -0.244 -0.24 -0.484 -0.126 -0.12 -0.191 0.06208243902439 0.0778350932416984 -0.1626 -0.5803 3069530 BPBio1_000713 CC(=O)NC1CCSC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A10 compound treatment -0.936 -0.591 -0.59 -0.577 -0.219 -0.2 -0.304 -0.05091756097561 -0.0638372649086722 -0.4933 -0.7895 887 BPBio1_000714 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A11 compound treatment 0.29 0.635 0.63 0.121 0.479 0.44 0.057 0.31008243902439 0.388762038562866 0.8448 0.978 1000240 BPBio1_000715 CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A12 compound treatment -0.518 -0.173 -0.17 -0.661 -0.303 -0.28 -0.342 -0.08891756097561 -0.111479296853045 -0.3258 -0.937 745 BPBio1_000716 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A13 compound treatment -0.339 0.00607 0.01 -0.521 -0.163 -0.15 -0.335 -0.08191756097561 -0.102703133073818 -0.1432 -0.7825 3616769 BPBio1_000717 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)OC2CC[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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A14 compound treatment -0.157 0.188 0.19 -0.32 0.0376 0.03 -0.074 0.17908243902439 0.224522402123056 0.2577 0.8757 3263 BPBio1_000718 CNC(C)(C)Cc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A15 compound treatment -0.215 0.13 0.13 -0.457 -0.0994 -0.09 -0.176 0.07708243902439 0.0966411584828981 0.0773 0.4161 2060360 BPBio1_000719 C1CN=C(C1)c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A16 compound treatment 0.059 0.404 0.4 0.095 0.453 0.42 0.283 0.53608243902439 0.672106754863607 0.8619 0.9705 3187750 BPBio1_000720 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A17 compound treatment -0.375 -0.0299 -0.03 -0.022 0.336 0.31 0.053 0.30608243902439 0.383747087831879 0.3838 0.7758 3069532 BPBio1_000721 C[N+]1(C)C[C@@H](O)C[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A18 compound treatment -0.054 0.291 0.29 -0.277 0.0806 0.07 0.229 0.48208243902439 0.604404919995288 0.5591 0.8292 751 BPBio1_000722 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A19 compound treatment -0.322 0.0231 0.02 -0.259 0.0986 0.09 -0.189 0.06408243902439 0.0803425686071917 0.1123 0.9077 946 BPBio1_000723 OCCNC(=O)Cn1ccnc1[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A20 compound treatment -0.503 -0.158 -0.16 -0.156 0.202 0.19 -0.078 0.17508243902439 0.219507451392069 0.1439 0.4384 1146 BPBio1_000724 Nc1ccc(cc1)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A21 compound treatment -0.085 0.26 0.26 -0.062 0.296 0.27 -0.144 0.10908243902439 0.136760764330791 0.3863 0.9642 3616770 BPBio1_000725 NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](OC3O[C@H](CO)C(O)[C@H]3O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A22 compound treatment -0.51 -0.165 -0.16 -0.019 0.339 0.31 -0.242 0.01108243902439 0.0138944714216197 0.0944 0.2665 3616809 BPBio1_000726 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]61CC[C@@H](C)CO6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A23 mock treatment 0.184 0.529 0.53 0.057 0.415 0.38 0.197 0.45008243902439 0.564285314147396 0.8511 0.9878 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 A24 mock treatment 0.002 0.347 0.35 -0.174 0.184 0.17 -0.086 0.16708243902439 0.209477549930096 0.4183 0.9551 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B01 compound treatment 0.038 0.383 0.38 -0.328 0.0296 0.03 -0.133 0.12008243902439 0.150551878841004 0.3226 0.7861 3614714 BPBio1_000727 NC(=N)S/C=C\C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B02 compound treatment -0.537 -0.192 -0.19 -0.119 0.239 0.22 -0.23 0.02308243902439 0.0289393236145793 0.0341 0.1162 3614718 BPBio1_000728 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B03 compound treatment -0.129 0.216 0.21 0.217 0.575 0.53 0.0 0.25308243902439 0.317298990646307 0.6144 0.937 1412 BPBio1_000729 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B04 compound treatment -0.433 -0.0879 -0.09 -0.32 0.0376 0.03 -0.144 0.10908243902439 0.136760764330791 0.0486 0.2927 1300 BPBio1_000730 OC(=O)c1cccnc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B05 compound treatment 0.022 0.367 0.36 0.09 0.448 0.41 0.408 0.66108243902439 0.828823965206937 0.9285 0.9323 3069629 BPBio1_000731 CC(=O)/N=c/1\sc(nn1C)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B06 compound treatment 0.155 0.5 0.5 -0.165 0.193 0.18 0.011 0.26408243902439 0.33109010515652 0.5812 0.9323 2819 BPBio1_000732 CCC1(C)CC(=O)NC(=O)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B07 compound treatment -0.089 0.256 0.25 1.171 1.53 1.31 0.609 0.86208243902439 1.08082523943901 1.5264 0.8895 818 BPBio1_000733 CCC1(CC)C(=O)NC=CC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B08 compound treatment -0.155 0.19 0.19 -0.423 -0.0654 -0.06 -0.254 -9.17560975610021E-4 -0.00115038077134006 0.0735 0.3703 3187897 BPBio1_000734 C[C@]12[C@H](CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H]1O)C5=CC(=O)OC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B09 compound treatment 0.419 0.764 0.76 0.059 0.417 0.39 -0.631 -0.37791756097561 -0.473809487166824 0.3877 0.3977 795 BPBio1_000735 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B10 compound treatment 0.569 0.914 0.91 1.482 1.84 1.39 0.774 1.02708243902439 1.28769195709221 2.068 0.9855 4370 BPBio1_000736 CNCC(O)C(O)C(O)C(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B11 compound treatment -0.384 -0.0389 -0.04 -0.023 0.335 0.31 -0.098 0.15508243902439 0.194432697737136 0.2688 0.7307 1129 BPBio1_000737 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B12 compound treatment -0.117 0.228 0.23 -0.038 0.32 0.3 0.099 0.35208243902439 0.441419021238225 0.5566 0.9634 2117591 BPBio1_000738 C[C@]12[C@H]3CC[C@H](O3)[C@]2(C)C(=O)OC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B13 compound treatment 0.197 0.542 0.54 -0.226 0.132 0.12 -0.15 0.10308243902439 0.129238338234311 0.4561 0.8038 755 BPBio1_000739 CC(CN(C)C)CN1c2ccccc2CCc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B14 compound treatment -0.5 -0.155 -0.15 -0.168 0.19 0.18 -0.399 -0.14591756097561 -0.182942344769603 -0.0932 -0.3141 1999 BPBio1_000740 Oc1c(I)cc(Cl)c2cccnc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B15 compound treatment 0.392 0.737 0.73 0.876 1.23 1.14 0.557 0.81008243902439 1.01563087993619 1.6689 0.9846 1088922 BPBio1_000741 CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B16 compound treatment -0.373 -0.0279 -0.03 -0.14 0.218 0.2 -0.107 0.14608243902439 0.183149058592416 0.206 0.7528 838 BPBio1_000742 COc1ccc(C(=O)c2ccccc2)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B17 compound treatment -0.086 0.259 0.26 -0.255 0.103 0.1 -0.1 0.15308243902439 0.191925222371643 0.3144 0.9385 3043753 BPBio1_000743 [O-][N+](=O)c1ccc(/C=N/N2CCOC2=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B18 compound treatment 0.746 1.09 1.08 -0.151 0.207 0.19 0.419 0.67208243902439 0.84261507971715 1.2232 0.882 681 BPBio1_000744 CC(CN1c2ccccc2Sc3ccccc13)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B19 compound treatment -0.092 0.253 0.25 -0.12 0.238 0.22 -0.35 -0.09691756097561 -0.121509198315018 0.2021 0.5684 2570 BPBio1_000745 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B20 compound treatment -0.195 0.15 0.15 -0.641 -0.283 -0.26 -0.498 -0.24491756097561 -0.307062375361521 -0.2426 -0.5635 1225 BPBio1_000746 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B21 compound treatment -0.243 0.102 0.1 0.023 0.381 0.35 0.443 0.69608243902439 0.87270478410307 0.7659 0.8091 871 BPBio1_000747 Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B22 compound treatment 0.283 0.628 0.62 0.299 0.657 0.61 0.072 0.32508243902439 0.407568103804065 0.9468 0.9841 3487233 BPBio1_000748 CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B23 mock treatment 0.033 0.378 0.38 -0.115 0.243 0.22 -0.017 0.23608243902439 0.295985450039614 0.5176 0.9793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 B24 mock treatment -0.074 0.271 0.27 0.068 0.426 0.39 -0.097 0.15608243902439 0.195686435419883 0.4961 0.9615 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C01 compound treatment -0.312 0.0331 0.03 0.318 0.676 0.63 -0.453 -0.19991756097561 -0.250644179637922 0.2354 0.349 2069299 BPBio1_000749 CC1(C)CO[C@@H](CC(=O)O)CN1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C02 compound treatment -0.112 0.233 0.23 0.479 0.837 0.77 0.087 0.34008243902439 0.426374169045265 0.8272 0.9049 678 BPBio1_000750 NCC(CC(=O)O)c1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C03 compound treatment 0.137 0.482 0.48 0.214 0.572 0.53 0.151 0.40408243902439 0.50661338074105 0.8748 0.9992 1624 BPBio1_000751 CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C04 compound treatment -0.139 0.206 0.2 -0.021 0.337 0.31 -0.1 0.15308243902439 0.191925222371643 0.409 0.9751 706 BPBio1_000752 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C05 compound treatment -0.147 0.198 0.2 -0.233 0.125 0.12 -0.087 0.16608243902439 0.208223812247349 0.3005 0.9727 3616771 BPBio1_000753 CC(=C)[C@H]1[C@H]2OC(=O)C1[C@]3(O)CC4O[C@]45C(=O)O[C@H]2[C@@]53C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C06 compound treatment -0.147 0.198 0.2 -0.314 0.0436 0.04 0.107 0.36008243902439 0.451448922700198 0.3976 0.8047 1149 BPBio1_000754 CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C07 compound treatment -0.183 0.162 0.16 -0.423 -0.0654 -0.06 -0.178 0.07508243902439 0.0941336831174048 0.1124 0.573 1244 BPBio1_000755 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C08 compound treatment -0.905 -0.56 -0.56 -0.38 -0.0224 -0.02 -0.456 -0.20291756097561 -0.254405392686162 -0.4802 -0.7842 3616810 BPBio1_000756 COCCc1ccc(OCC(O)CNC(C)C)cc1.O[C@H]([C@@H](O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C09 compound treatment -0.397 -0.0519 -0.05 -0.071 0.287 0.27 -0.1 0.15308243902439 0.191925222371643 0.2342 0.7064 3187616 BPBio1_000757 C/C(=C(\CCOP(=O)(O)O)/SC(=O)c1ccccc1)/N(Cc2cnc(C)nc2N)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C10 compound treatment -0.323 0.0221 0.02 -0.172 0.186 0.17 -0.014 0.23908243902439 0.299746663087854 0.285 0.823 3187752 BPBio1_000758 C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C11 compound treatment -0.098 0.247 0.25 0.258 0.616 0.57 0.003 0.25608243902439 0.321060203694547 0.6563 0.9391 3069534 BPBio1_000759 CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C12 compound treatment -0.503 -0.158 -0.16 -0.286 0.0716 0.07 0.106 0.35908243902439 0.450195185017451 0.2076 0.4312 359 BPBio1_000760 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C13 compound treatment -0.237 0.108 0.11 -0.338 0.0196 0.02 -0.235 0.01808243902439 0.0226706352008462 0.0856 0.7691 3616772 BPBio1_000761 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@]7(C)[C@@]8(O)CC[C@H](C9=CC(=O)OC9)[C@@]8(C)[C@H](O)C[C@]67C)C5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C14 compound treatment 0.327 0.672 0.67 -0.08 0.278 0.26 0.056 0.30908243902439 0.387508300880119 0.7579 0.931 689 BPBio1_000762 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C15 compound treatment -0.188 0.157 0.16 -0.342 0.0156 0.01 -0.197 0.05608243902439 0.0703126671452185 0.1391 0.8093 3103678 BPBio1_000763 N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)/NCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C16 compound treatment -0.33 0.0151 0.01 -0.432 -0.0744 -0.07 -0.239 0.01408243902439 0.0176556844698596 -0.0209 -0.288 3616811 BPBio1_000764 CC(C)CC(=O)O[C@H]1[C@@H](O[C@@H]2C[C@H]([C@H]3CC[C@]4(C[C@H]5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C17 compound treatment -0.317 0.0281 0.03 -0.39 -0.0324 -0.03 -0.077 0.17608243902439 0.220761189074816 0.1263 0.5623 827 BPBio1_000765 CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C18 compound treatment 0.109 0.454 0.45 -0.499 -0.141 -0.13 0.04 0.29308243902439 0.367448497956173 0.3972 0.6657 873 BPBio1_000766 Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C19 compound treatment 0.256 0.601 0.6 0.234 0.592 0.55 0.497 0.75008243902439 0.940406618971388 1.2042 0.9699 3069535 BPBio1_000767 C(Nc1ncnc2nc[nH]c12)c3ccco3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C20 compound treatment 0.587 0.932 0.93 1.03 1.39 1.27 0.439 0.69208243902439 0.867689833372083 1.7672 0.9855 953 BPBio1_000768 C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C21 compound treatment 0.008 0.353 0.35 0.37 0.728 0.67 0.07 0.32308243902439 0.405060628438572 0.8255 0.9588 3616773 BPBio1_000769 CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@H](C/C=C(\C)/C(O[C@H]4C[C@H](OC)C(O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2)C=C[C@@H]1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C22 compound treatment 0.627 0.972 0.97 -0.246 0.112 0.1 -0.53 -0.27691756097561 -0.347181981209413 0.4172 0.4042 1531 BPBio1_000770 O=c1n([se]c2ccccc12)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C23 mock treatment -0.343 0.00207 0.0 -0.022 0.336 0.31 0.057 0.31008243902439 0.388762038562866 0.4051 0.8138 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 C24 mock treatment -0.122 0.223 0.22 -0.253 0.105 0.1 -0.048 0.20508243902439 0.257119581874468 0.3324 0.9414 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D01 compound treatment -1.372 -1.03 -1.02 -0.523 -0.165 -0.15 -0.195 0.05808243902439 0.0728201425107118 -0.6358 -0.6144 3189316 BPBio1_000771 COc1ccc(cc1)c2ccc(=N)n(CCCC(=O)O)n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D02 compound treatment -0.083 0.262 0.26 -0.156 0.202 0.19 0.022 0.27508243902439 0.344881219666733 0.4573 0.9713 3614719 BPBio1_000772 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@@H]1C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D03 compound treatment -0.389 -0.0439 -0.04 -0.026 0.332 0.31 -0.173 0.08008243902439 0.100402371531138 0.21 0.6443 3472295 BPBio1_000773 COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D04 compound treatment 0.088 0.433 0.43 -0.115 0.243 0.22 0.187 0.44008243902439 0.551747937319929 0.6968 0.948 1022907 BPBio1_000774 CC(=O)c1cc2ccccc2oc1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D05 compound treatment -0.58 -0.235 -0.23 -0.12 0.238 0.22 -0.055 0.19808243902439 0.248343418095242 0.1356 0.3341 1446 BPBio1_000775 OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D06 compound treatment -1.27 -0.925 -0.92 -0.564 -0.206 -0.19 -0.438 -0.18491756097561 -0.231838114396722 -0.7751 -0.8012 3616845 BPBio1_000776 OC[C@H]1OC(Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D07 compound treatment 0.55 0.895 0.89 0.706 1.06 0.98 -0.09 0.16308243902439 0.204462599199109 1.2004 0.8938 3616827 BPBio1_000777 CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4OP(=O)(O)OC[C@H]4[C@H]3OC(=O)CCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D08 compound treatment -0.496 -0.151 -0.15 -0.539 -0.181 -0.17 -0.296 -0.04291756097561 -0.053807363446699 -0.2147 -0.927 2776 BPBio1_000778 OC(=O)Cc1ccc(cc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D09 compound treatment 0.162 0.507 0.5 -0.217 0.141 0.13 -0.03 0.22308243902439 0.279686860163908 0.5277 0.8929 3176931 BPBio1_000779 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D10 compound treatment -0.198 0.147 0.15 -0.206 0.152 0.14 -0.153 0.10008243902439 0.125477125186071 0.2379 0.998 1012530 BPBio1_000780 CCCCOC(=O)c1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D11 compound treatment 0.122 0.467 0.46 -0.302 0.0556 0.05 -0.275 -0.02191756097561 -0.0274788721090196 0.282 0.6025 717 BPBio1_000781 OC(=O)c1ccccc1OP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D12 compound treatment 0.043 0.388 0.39 0.019 0.377 0.35 0.02 0.27308243902439 0.34237374430124 0.6217 0.9986 1299 BPBio1_000782 Nc1ccc(cc1)C(=O)NCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D13 compound treatment 0.934 1.28 1.27 -0.605 -0.247 -0.23 -0.521 -0.26791756097561 -0.335898342064694 0.408 0.3056 1102 BPBio1_000783 CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D14 compound treatment 0.257 0.602 0.6 -0.168 0.19 0.18 -0.23 0.02308243902439 0.0289393236145793 0.4636 0.7425 1231 BPBio1_000784 CC(C)C[C@H](NC(=O)C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D15 compound treatment 0.343 0.688 0.68 -0.076 0.282 0.26 -0.002 0.25108243902439 0.314791515280814 0.7272 0.9126 1047041 BPBio1_000785 OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D16 compound treatment 0.094 0.439 0.44 0.481 0.839 0.78 0.359 0.61208243902439 0.767390818752352 1.1434 0.9725 1258 BPBio1_000786 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D17 compound treatment 0.8 1.15 1.14 0.685 1.04 0.97 0.111 0.36408243902439 0.456463873431184 1.4782 0.947 1555091 BPBio1_000787 CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D18 compound treatment -0.3 0.0451 0.04 -0.026 0.332 0.31 -0.066 0.18708243902439 0.234552303585029 0.3386 0.8704 3059213 BPBio1_000788 COc1ccc(C(=O)c2ccccc2O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D19 compound treatment 0.276 0.621 0.62 0.383 0.741 0.69 0.023 0.27608243902439 0.34613495734948 0.9522 0.9662 3066 BPBio1_000789 CO[C@]1(NC(=O)[C@H](C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D20 compound treatment -0.031 0.314 0.31 -0.046 0.312 0.29 0.127 0.38008243902439 0.476523676355131 0.622 0.974 3187899 BPBio1_000790 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D21 compound treatment -0.384 -0.0389 -0.04 0.067 0.425 0.39 -0.306 -0.05291756097561 -0.0663447402741654 0.1663 0.4152 856 BPBio1_000791 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D22 compound treatment 0.231 0.576 0.57 0.029 0.387 0.36 0.189 0.44208243902439 0.554255412685422 0.8573 0.9813 3616847 BPBio1_000792 C[N+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D23 mock treatment -0.331 0.0141 0.01 -0.376 -0.0184 -0.02 -0.113 0.14008243902439 0.175626632495937 0.0996 0.5629 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 D24 mock treatment -0.095 0.25 0.25 -0.17 0.188 0.17 -0.139 0.11408243902439 0.143029452744524 0.3264 0.9734 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E01 compound treatment 0.12 0.465 0.46 0.057 0.415 0.38 0.048 0.30108243902439 0.377478399418146 0.7065 0.9956 2060389 BPBio1_000793 OC(=O)Cc1c[nH]cn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E02 compound treatment 0.046 0.391 0.39 -0.229 0.129 0.12 -0.059 0.19408243902439 0.243328467364255 0.4337 0.9153 1220 BPBio1_000794 CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E03 compound treatment -0.244 0.101 0.1 -0.564 -0.206 -0.19 -0.334 -0.08091756097561 -0.101449395391071 -0.1109 -0.4649 3069536 BPBio1_000795 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E04 compound treatment 0.144 0.489 0.49 0.497 0.855 0.79 0.077 0.33008243902439 0.413836792217799 0.9765 0.9604 1000108 BPBio1_000796 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E05 compound treatment 0.132 0.477 0.47 0.588 0.946 0.88 0.748 1.00108243902439 1.2550947773408 1.504 0.9387 3616774 BPBio1_000797 CN1C[C@@]2(C=C)C3CC4OC[C@@H]3[C@@H]1[C@H]2[C@@]45C(=O)Nc6ccccc65 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E06 compound treatment 0.05 0.395 0.39 -0.343 0.0146 0.01 0.346 0.59908243902439 0.751092228876645 0.6682 0.7883 799 BPBio1_000798 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E07 compound treatment -0.334 0.0111 0.01 -0.05 0.308 0.28 0.024 0.27708243902439 0.347388695032227 0.3714 0.8264 3616775 BPBio1_000799 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)CN6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E08 compound treatment -0.082 0.263 0.26 0.023 0.381 0.35 -0.11 0.14308243902439 0.179387845544176 0.458 0.9661 3187753 BPBio1_000800 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E09 compound treatment 1.315 1.66 1.43 1.97 2.33 1.48 0.881 1.13408243902439 1.4218418891461 2.5023 0.9999 3616777 BPBio1_000801 CCN1C[C@]2(COC)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@@]6(C[C@@H]5OC)OCO[C@]76[C@@H](O)[C@@H]32)C17 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E10 compound treatment -0.19 0.155 0.15 -0.544 -0.186 -0.17 -0.148 0.10508243902439 0.131745813599804 0.0654 0.2457 3187754 BPBio1_000802 CNCC(O)C(O)C(O)C(O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E11 compound treatment 0.332 0.677 0.67 0.959 1.32 1.22 0.293 0.54608243902439 0.684644131691073 1.4878 0.9587 3616778 BPBio1_000803 COc1c(OC[C@@H](O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E12 compound treatment 1.593 1.94 1.5 2.958 3.32 1.6 1.468 1.72108243902439 1.76460569809966 2.8117 0.9978 3187755 BPBio1_000804 CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC2CCC(C(C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E13 compound treatment -0.322 0.0231 0.02 -0.159 0.199 0.18 -0.181 0.07208243902439 0.0903724700691648 0.1716 0.8322 3187620 BPBio1_000805 C[C@H]1CCC[C@@H](C)N1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E14 compound treatment 0.0 0.345 0.34 0.182 0.54 0.5 0.263 0.51608243902439 0.647032001208674 0.8601 0.9702 3069580 BPBio1_000806 C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E15 compound treatment -0.127 0.218 0.22 -0.47 -0.112 -0.1 -0.137 0.11608243902439 0.145536928110017 0.1491 0.5305 1540789 BPBio1_000807 COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E16 compound treatment -0.234 0.111 0.11 -0.371 -0.0134 -0.01 -0.397 -0.14391756097561 -0.18043486940411 -0.0476 -0.2245 3069581 BPBio1_000808 Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E17 compound treatment 0.781 1.13 1.12 1.528 1.89 1.4 1.308 1.56108243902439 1.70633356548716 2.4372 0.9858 1054505 BPBio1_000809 COc1ccc2c(OC)c3ccoc3nc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E18 compound treatment -0.01 0.335 0.33 -0.194 0.164 0.15 0.008 0.26108243902439 0.32732889210828 0.4688 0.9548 3616814 BPBio1_000810 CC[C@]1(CC[C@@H](O1)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)O2)[C@@H]4O[C@H](C[C@@H]4C)[C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E19 compound treatment -0.011 0.334 0.33 0.071 0.429 0.4 -0.101 0.15208243902439 0.190671484688896 0.531 0.9627 3616780 BPBio1_000811 C1CC[C@@H](NC1)c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E20 compound treatment -0.358 -0.0129 -0.01 -0.083 0.275 0.25 -0.052 0.20108243902439 0.252104631143482 0.2849 0.7952 4338 BPBio1_000812 CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E21 compound treatment -0.02 0.325 0.32 -0.162 0.196 0.18 0.049 0.30208243902439 0.378732137100893 0.5098 0.9623 193 BPBio1_000813 COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E22 compound treatment -0.223 0.122 0.12 -0.364 -0.00639 -0.01 -0.001 0.25208243902439 0.31604525296356 0.2491 0.7357 1050972 BPBio1_000814 CC1(O)CCOC(=O)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E23 mock treatment 0.063 0.408 0.41 0.441 0.799 0.74 -0.236 0.01708243902439 0.0214168975180995 0.6735 0.7983 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 E24 mock treatment 0.119 0.464 0.46 0.39 0.748 0.69 0.126 0.37908243902439 0.475269938672384 0.9404 0.9816 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F01 compound treatment 0.285 0.63 0.63 -0.049 0.309 0.29 0.209 0.46208243902439 0.579330166340355 0.8611 0.957 3614716 BPBio1_000815 Cc1ncsc1CCCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F02 compound treatment -0.251 0.0941 0.09 -0.109 0.249 0.23 -0.034 0.21908243902439 0.274671909432921 0.3455 0.9328 3614720 BPBio1_000816 CC(C)(C)C1(COP2(=S)OC1)CO2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F03 compound treatment -0.166 0.179 0.18 -0.092 0.266 0.25 -0.091 0.16208243902439 0.203208861516363 0.3621 0.9911 3616829 BPBio1_000817 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F04 compound treatment -0.345 6.6E-5 0.0 -0.37 -0.0124 -0.01 -0.494 -0.24091756097561 -0.302047424630534 -0.181 -0.5987 2732 BPBio1_000818 Cc1cc(=O)oc2cc(O)ccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F05 compound treatment -0.069 0.276 0.27 -0.201 0.157 0.15 -0.002 0.25108243902439 0.314791515280814 0.4239 0.9589 1303 BPBio1_000819 C[N+]1(CCC2CC1)CC2OC(=O)C(O)(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F06 compound treatment 1.216 1.56 1.41 -0.132 0.226 0.21 0.467 0.72008243902439 0.902794488488989 1.454 0.8632 1978 BPBio1_000820 OC(=O)/C=C/c1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F07 compound treatment -0.04 0.305 0.3 0.116 0.474 0.44 -0.05 0.20308243902439 0.254612106508975 0.5753 0.9736 1529 BPBio1_000821 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F08 compound treatment -0.062 0.283 0.28 -0.299 0.0586 0.05 0.03 0.28308243902439 0.354911121128706 0.3987 0.874 3069737 BPBio1_000822 CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F09 compound treatment 0.221 0.566 0.56 -0.096 0.262 0.24 0.435 0.68808243902439 0.862674882641096 0.9628 0.91 1114 BPBio1_000823 NS(=O)(=O)c1cc2c(N=C(CSCc3ccccc3)NS2(=O)=O)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F10 compound treatment -0.296 0.0491 0.05 -0.017 0.341 0.32 0.039 0.29208243902439 0.366194760273426 0.4217 0.8681 2743 BPBio1_000824 CC(C)(C(=O)c1cccnc1)c2cccnc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F11 compound treatment -0.321 0.0241 0.02 -0.135 0.223 0.21 0.003 0.25608243902439 0.321060203694547 0.3182 0.8323 1000 BPBio1_000825 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F12 compound treatment -0.072 0.273 0.27 -0.337 0.0206 0.02 0.033 0.28608243902439 0.358672334176946 0.3748 0.8325 3202 BPBio1_000826 COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F13 compound treatment 0.121 0.466 0.46 -0.347 0.0106 0.01 -0.039 0.21408243902439 0.268403221019188 0.4281 0.7994 1052436 BPBio1_000827 CCN(CC)CCc1nc(no1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F14 compound treatment 0.049 0.394 0.39 -0.636 -0.278 -0.26 -0.435 -0.18191756097561 -0.228076901348482 -0.0543 -0.1042 23081 BPBio1_000828 Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F15 compound treatment -0.025 0.32 0.32 0.023 0.381 0.35 -0.209 0.04408243902439 0.0552678149522589 0.4191 0.8767 1397 BPBio1_000829 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F16 compound treatment -0.169 0.176 0.18 -0.077 0.281 0.26 0.024 0.27708243902439 0.347388695032227 0.4516 0.9655 1472 BPBio1_000830 CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F17 compound treatment 0.154 0.499 0.5 0.131 0.489 0.45 0.379 0.63208243902439 0.792465572407285 1.0052 0.9678 3187885 BPBio1_000831 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F18 compound treatment -0.294 0.0511 0.05 -0.325 0.0326 0.03 0.07 0.32308243902439 0.405060628438572 0.2806 0.6855 3187900 BPBio1_000832 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F19 compound treatment 0.414 0.759 0.75 0.328 0.686 0.63 0.159 0.41208243902439 0.516643282203023 1.1005 0.9885 1519 BPBio1_000833 CC1(C)OC(=O)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F20 compound treatment -0.267 0.0781 0.08 -0.12 0.238 0.22 -0.165 0.08808243902439 0.110432272993111 0.2356 0.9127 1440 BPBio1_000834 COc1ccc2cc(CCC(=O)C)ccc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F21 compound treatment -0.224 0.121 0.12 0.303 0.661 0.61 -0.21 0.04308243902439 0.0540140772695122 0.4538 0.7253 852 BPBio1_000835 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F22 compound treatment -0.582 -0.237 -0.24 -0.493 -0.135 -0.13 -0.341 -0.08791756097561 -0.110225559170298 -0.272 -0.9422 907434 BPBio1_000836 CNCCC(Oc1ccccc1OC)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F23 mock treatment -0.098 0.247 0.25 -0.058 0.3 0.28 -0.18 0.07308243902439 0.0916262077519115 0.3549 0.9298 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 F24 mock treatment -0.003 0.342 0.34 -0.048 0.31 0.29 0.066 0.31908243902439 0.400045677707585 0.5928 0.991 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G01 compound treatment -1.006 -0.661 -0.66 -2.963 -2.61 -2.41 -1.25 -0.99691756097561 -1.249873112787 -2.4938 -0.8921 399 BPBio1_000837 Nc1nc2ccc(OC(F)(F)F)cc2s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G02 compound treatment -0.074 0.271 0.27 -0.404 -0.0464 -0.04 -0.329 -0.07591756097561 -0.0951807069773382 0.0758 0.2624 3684 BPBio1_000838 OC(=O)C1=CCCNC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G03 compound treatment -0.138 0.207 0.21 -0.324 0.0336 0.03 -0.027 0.22608243902439 0.283448073212148 0.3005 0.8543 3129 BPBio1_000839 CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G04 compound treatment 0.132 0.477 0.47 -0.155 0.203 0.19 0.001 0.25408243902439 0.318552728329054 0.5661 0.9413 3480633 BPBio1_000840 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G05 compound treatment 0.393 0.738 0.73 1.517 1.87 1.39 0.695 0.94808243902439 1.18864668015522 1.9142 0.9703 1025381 BPBio1_000841 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G06 compound treatment -0.156 0.189 0.19 -0.055 0.303 0.28 -0.224 0.02908243902439 0.0364617497110592 0.2913 0.8585 1404 BPBio1_000842 Nc1ccc(N=Nc2ccccc2)c(N)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G07 compound treatment 0.519 0.864 0.86 2.052 2.41 1.49 0.96 1.21308243902439 1.52088716608308 2.2346 0.9732 3616781 BPBio1_000843 CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC(=O)C)[C@@]5(OCO[C@]65C[C@H](OC)[C@H]7C[C@]4(O)[C@@H]6[C@H]7OC)C13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G08 compound treatment -0.133 0.212 0.21 -0.252 0.106 0.1 -0.166 0.08708243902439 0.109178535310364 0.2412 0.9394 1451 BPBio1_000844 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G09 compound treatment -0.276 0.0691 0.07 -0.625 -0.267 -0.25 0.416 0.66908243902439 0.83885386666891 0.381 0.4343 1182082 BPBio1_000845 Cn1c(cc(=O)c2ccccc12)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G10 compound treatment -0.522 -0.177 -0.18 -0.317 0.0406 0.04 -0.442 -0.18891756097561 -0.236853065127709 -0.2166 -0.7283 1438 BPBio1_000846 CC(C(=O)O)c1cccc(Oc2ccccc2)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G11 compound treatment -0.474 -0.129 -0.13 -0.279 0.0786 0.07 -0.139 0.11408243902439 0.143029452744524 0.0506 0.2463 3616783 BPBio1_000847 CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5OCOc5cc4[C@H]3[C@H]12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G12 compound treatment -0.113 0.232 0.23 0.014 0.372 0.34 0.006 0.25908243902439 0.324821416742787 0.5194 0.9866 963 BPBio1_000848 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G13 compound treatment 0.119 0.464 0.46 0.594 0.952 0.88 0.499 0.75208243902439 0.942914094336882 1.3195 0.9628 3187623 BPBio1_000849 CC=C(C)C(=O)OC1[C@H](OC(=O)C)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(OC6OC([C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7O)[C@H](O)C6O[C@H]8OC(CO)[C@H](O)[C@H](O)C8O)C(=O)O)[C@](C)(CO)C5CCC43C)C2CC1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G14 compound treatment -0.473 -0.128 -0.13 -0.107 0.251 0.23 -0.429 -0.17591756097561 -0.220554475252002 -0.0668 -0.1939 1138 BPBio1_000850 CC/C(=C(/CC)\c1ccc(O)cc1)/c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G15 compound treatment 0.443 0.788 0.78 0.44 0.798 0.74 0.322 0.57508243902439 0.721002524490726 1.295 0.9994 829 BPBio1_000851 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G16 compound treatment -0.192 0.153 0.15 -0.193 0.165 0.15 0.085 0.33808243902439 0.423866693679772 0.4206 0.8846 3057880 BPBio1_000852 COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G17 compound treatment -0.008 0.337 0.34 -0.17 0.188 0.17 -0.036 0.21708243902439 0.272164434067428 0.4509 0.969 1115322 BPBio1_000853 COc1ccn(C)c(=O)c1C#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G18 compound treatment 0.008 0.353 0.35 -0.16 0.198 0.18 0.008 0.26108243902439 0.32732889210828 0.4973 0.9681 3616815 BPBio1_000854 NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G19 compound treatment 0.094 0.439 0.44 0.029 0.387 0.36 0.134 0.38708243902439 0.485299840134357 0.7389 0.9925 3616785 BPBio1_000855 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)[C@@H](OC)[C@@H]32)C16 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G20 compound treatment -0.109 0.236 0.23 0.325 0.683 0.63 0.16 0.41308243902439 0.51789701988577 0.7994 0.9403 1094620 BPBio1_000856 CC(C[N+](C)(C)C)OC(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G21 compound treatment -0.281 0.0641 0.06 0.004 0.362 0.33 -0.307 -0.05391756097561 -0.0675984779569121 0.1911 0.5499 3616786 BPBio1_000857 C/C=C\1/C[N+]2(C)CCC34[C@@H]2C[C@@H]1C(=C4Nc5ccccc53)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G22 compound treatment -0.419 -0.0739 -0.07 -0.098 0.26 0.24 0.003 0.25608243902439 0.321060203694547 0.2817 0.6909 1246 BPBio1_000858 CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G23 mock treatment -0.286 0.0591 0.06 -0.122 0.236 0.22 -0.192 0.06108243902439 0.0765813555589518 0.2041 0.8555 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 G24 mock treatment -0.106 0.239 0.24 -0.158 0.2 0.18 -0.238 0.01508243902439 0.0189094221526062 0.2548 0.8448 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H01 compound treatment -0.668 -0.323 -0.32 -0.295 0.0626 0.06 -0.265 -0.01191756097561 -0.0149414952815531 -0.1605 -0.4915 962 BPBio1_000859 CCC1(C(=O)NCNC1=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H02 compound treatment 0.581 0.926 0.92 -0.101 0.257 0.24 0.133 0.38608243902439 0.484046102451611 0.9482 0.8887 1008060 BPBio1_000860 C1CCc2nnnn2CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H03 compound treatment 8.046 8.39 1.99 9.767 10.1 1.89 4.096 4.34908243902439 2.23863096461943 3.5306 0.9974 1452 BPBio1_000861 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H04 compound treatment 0.363 0.708 0.7 0.043 0.401 0.37 -0.008 0.24508243902439 0.307269089184334 0.798 0.9355 3616848 BPBio1_000862 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1.O[C@H]([C@@H](O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H05 compound treatment 0.077 0.422 0.42 0.027 0.385 0.36 0.554 0.80708243902439 1.01186966688795 1.0321 0.896 1189 BPBio1_000863 CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H06 compound treatment -0.665 -0.32 -0.32 -0.117 0.241 0.22 0.115 0.36808243902439 0.461478824162171 0.2114 0.3506 1001471 BPBio1_000864 Oc1ccc(OCc2ccccc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H07 compound treatment 1.027 1.37 1.35 0.823 1.18 1.09 -0.159 0.09408243902439 0.117954699089591 1.4767 0.8494 1000080 BPBio1_000865 ClCCNP1(=O)OCCCN1CCCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H08 compound treatment -0.873 -0.528 -0.52 -0.768 -0.41 -0.38 -0.777 -0.52391756097561 -0.656855188847834 -0.9017 -0.9772 1025776 BPBio1_000866 Nc1ccccc1S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H09 compound treatment -0.17 0.175 0.17 -0.395 -0.0374 -0.03 -0.324 -0.07091756097561 -0.088912018563605 0.0292 0.1469 3616830 BPBio1_000867 CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H10 compound treatment -0.06 0.285 0.28 -0.116 0.242 0.22 0.005 0.25808243902439 0.32356767906004 0.4796 0.9892 3060043 BPBio1_000868 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H11 compound treatment 0.492 0.837 0.83 -0.267 0.0906 0.08 -0.389 -0.13591756097561 -0.170404967942137 0.4305 0.5044 1232 BPBio1_000869 OC1=C(O)C(=O)C(=C(O)C1=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H12 compound treatment -0.802 -0.457 -0.45 -0.759 -0.401 -0.37 -0.689 -0.43591756097561 -0.546526272766129 -0.7924 -0.988 907370 BPBio1_000870 CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H13 compound treatment 0.324 0.669 0.67 0.155 0.513 0.47 -0.269 -0.01591756097561 -0.0199564460125397 0.6465 0.791 1029 BPBio1_000871 CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H14 compound treatment -0.352 -0.00693 -0.01 -0.891 -0.533 -0.49 -0.776 -0.52291756097561 -0.655601451165087 -0.6676 -0.8134 117 BPBio1_000872 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H15 compound treatment -0.166 0.179 0.18 -0.274 0.0836 0.08 -0.358 -0.10491756097561 -0.131539099776991 0.0715 0.3051 1276 BPBio1_000873 CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O)OC(=O)CCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H16 compound treatment -0.266 0.0791 0.08 -0.347 0.0106 0.01 -0.2 0.05308243902439 0.0665514540969786 0.0895 0.8648 1000135 BPBio1_000874 CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H17 compound treatment 0.435 0.78 0.78 1.901 2.26 1.47 -0.009 0.24408243902439 0.306015351501587 1.4709 0.8721 3187887 BPBio1_000875 CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H18 compound treatment -0.628 -0.283 -0.28 -0.885 -0.527 -0.49 -1.232 -0.97891756097561 -1.22730583449756 -1.1529 -0.8537 115 BPBio1_000876 COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H19 compound treatment -0.009 0.336 0.33 -0.155 0.203 0.19 -0.127 0.12608243902439 0.158074304937484 0.3925 0.9469 1670 BPBio1_000877 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H20 compound treatment 1.587 1.93 1.5 1.549 1.91 1.4 1.23 1.48308243902439 1.67523978108805 2.6425 0.9972 3221506 BPBio1_000878 CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H21 compound treatment 0.984 1.33 1.32 -0.002 0.356 0.33 -0.485 -0.23191756097561 -0.290763785485814 0.7851 0.5638 727 BPBio1_000879 CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H22 compound treatment 0.142 0.487 0.48 0.264 0.622 0.58 0.212 0.46508243902439 0.583091379388595 0.9485 0.9966 3616849 BPBio1_000880 O[C@@H]1CCCC[C@H]1N2CCC(CC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H23 mock treatment -0.159 0.186 0.18 -0.431 -0.0734 -0.07 -0.398 -0.14491756097561 -0.181688607086857 -0.0373 -0.1393 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 H24 mock treatment -0.541 -0.196 -0.19 -0.205 0.153 0.14 0.137 0.39008243902439 0.489061053182597 0.2515 0.4614 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I01 compound treatment 0.08 0.425 0.42 0.185 0.543 0.5 0.064 0.31708243902439 0.397538202342092 0.7636 0.9949 3061090 BPBio1_000881 OC(=O)C1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I02 compound treatment -0.536 -0.191 -0.19 0.108 0.466 0.43 0.048 0.30108243902439 0.377478399418146 0.3573 0.5918 774 BPBio1_000882 OC(=O)C1=CCNCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I03 compound treatment -0.08 0.265 0.26 -0.351 0.00661 0.01 -0.197 0.05608243902439 0.0703126671452185 0.1963 0.7195 3069541 BPBio1_000883 C[C@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I04 compound treatment -0.093 0.252 0.25 -0.806 -0.448 -0.42 -0.936 -0.68291756097561 -0.85619948040455 -0.5894 -0.5989 1429 BPBio1_000884 CCCCOC(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I05 compound treatment -0.422 -0.0769 -0.08 -0.457 -0.0994 -0.09 -0.41 -0.15691756097561 -0.196733459279816 -0.2109 -0.9158 3616789 BPBio1_000885 CC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H]3CCC(C(=O)OC4C[C@@H]5CC[C@H](C4)[N+]5(C)CC)(c6ccccc6)c7ccccc37 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I06 compound treatment -0.143 0.202 0.2 -0.383 -0.0254 -0.02 -0.132 0.12108243902439 0.15180561652375 0.1901 0.7515 867 BPBio1_000886 Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I07 compound treatment -0.2 0.145 0.14 -0.206 0.152 0.14 -0.208 0.04508243902439 0.0565215526350055 0.1969 0.9421 3173628 BPBio1_000887 CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I08 compound treatment 0.644 0.989 0.98 0.62 0.978 0.91 0.62 0.87308243902439 1.09461635394923 1.7223 0.997 1001 BPBio1_000888 CN(C)CCOC(=O)COc1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I09 compound treatment 4.77 5.12 1.86 7.804 8.16 1.85 4.942 5.19508243902439 2.31129563219665 3.4715 0.9942 3616793 BPBio1_000889 CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@H]21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I10 compound treatment -0.095 0.25 0.25 0.036 0.394 0.36 -0.12 0.13308243902439 0.16685046871671 0.4503 0.9547 3069584 BPBio1_000890 [O-][N+](=O)c1ccc(/C=N/N2CC(CN3CCOCC3)OC2=O)o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I11 compound treatment 0.069 0.414 0.41 0.673 1.03 0.95 0.354 0.60708243902439 0.761122130338618 1.2281 0.9533 3616795 BPBio1_000891 C1CN[C@H]2[C@@H](C1)C3CCC2[C@H]4N3CCc5c4[nH]c6ccccc56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I12 compound treatment -0.329 0.0161 0.02 -0.642 -0.284 -0.26 -0.088 0.16508243902439 0.206970074564603 -0.0233 -0.0695 837 BPBio1_000892 CCOc1ccc2NC(C)(C)C=C(C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I13 compound treatment -0.417 -0.0719 -0.07 -0.202 0.156 0.14 0.085 0.33808243902439 0.423866693679772 0.2866 0.6322 3069543 BPBio1_000893 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H](C32)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I14 compound treatment -0.049 0.296 0.29 0.366 0.724 0.67 0.281 0.53408243902439 0.669599279498114 0.9434 0.951 2575 BPBio1_000894 CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I15 compound treatment 0.057 0.402 0.4 0.158 0.516 0.48 0.036 0.28908243902439 0.362433547225186 0.7157 0.9933 3616797 BPBio1_000895 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5C(O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@H]6C[C@@H]32)C61 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I16 compound treatment -0.334 0.0111 0.01 -0.029 0.329 0.3 -0.303 -0.04991756097561 -0.0625835272259255 0.1459 0.4693 3187758 BPBio1_000896 NC(=N)NCC1COC2(CCCCC2)O1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I17 compound treatment -0.22 0.125 0.12 -0.042 0.316 0.29 -0.079 0.17408243902439 0.218253713709322 0.3665 0.9511 3187745 BPBio1_000897 C[C@@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I18 compound treatment -0.013 0.332 0.33 -0.07 0.288 0.27 -0.238 0.01508243902439 0.0189094221526062 0.3553 0.8368 3616817 BPBio1_000898 Nc1ncnc2n(cnc12)C3O[C@H](CO)[C@@H](O)[C@@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I19 compound treatment -0.298 0.0471 0.05 -0.144 0.214 0.2 -0.024 0.22908243902439 0.287209286260388 0.307 0.8726 3616800 BPBio1_000899 CO[C@H]1C=C2CCN(C)[C@H]2C3[C@@H]1OC(=O)c4cc5OCOc5cc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I20 compound treatment -0.294 0.0511 0.05 0.166 0.524 0.48 -0.016 0.23708243902439 0.297239187722361 0.4808 0.8422 1094 BPBio1_000900 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I21 compound treatment 0.0 0.345 0.34 0.351 0.709 0.66 0.258 0.51108243902439 0.640763312794941 0.9468 0.967 3616802 BPBio1_000901 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]2C[C@H]4C13)[C@@H]5C[C@H](O)[C@H]6C[C@]45[C@H](O)C6=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I22 compound treatment -0.031 0.314 0.31 -0.262 0.0956 0.09 -0.104 0.14908243902439 0.186910271640656 0.3393 0.9059 888 BPBio1_000902 CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I23 mock treatment -0.166 0.179 0.18 0.042 0.4 0.37 0.002 0.25508243902439 0.3198064660118 0.5011 0.9627 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 I24 mock treatment 0.33 0.675 0.67 -0.092 0.266 0.25 0.049 0.30208243902439 0.378732137100893 0.7481 0.9249 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J01 compound treatment 0.443 0.788 0.78 0.256 0.614 0.57 0.51 0.76308243902439 0.956705208847095 1.3327 0.9793 3614717 BPBio1_000903 NCCn1oc(=O)[nH]c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J02 compound treatment 0.197 0.542 0.54 -0.181 0.177 0.16 1.109 1.36208243902439 1.6229593296319 1.3426 0.7815 3614721 BPBio1_000904 OC/C=C/C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J03 compound treatment 1.271 1.62 1.42 2.1 2.46 1.5 1.529 1.78208243902439 1.78509057385611 2.7167 0.9951 3187888 BPBio1_000905 O=C1OC2(C[C@H]3C=CC2=C1)[C@H]4CCCCN34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J04 compound treatment 0.238 0.583 0.58 0.827 1.18 1.1 0.519 0.77208243902439 0.967988847991814 1.5268 0.9703 1637 BPBio1_000906 CN/C(=C/[N+](=O)[O-])/NCCSCc1csc(CN(C)C)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J05 compound treatment -0.108 0.237 0.24 0.818 1.18 1.09 -0.107 0.14608243902439 0.183149058592416 0.8703 0.771 3044756 BPBio1_000907 CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.OC(C(O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J06 compound treatment -0.234 0.111 0.11 0.18 0.538 0.5 0.595 0.84808243902439 1.06327291188056 0.965 0.8184 3188017 BPBio1_000908 S=C(NC1CCCCC1)N2CCC(CC2)C3C=NC=N3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J07 compound treatment -0.138 0.207 0.21 -0.104 0.254 0.23 -0.02 0.23308243902439 0.292224236991374 0.4231 0.9894 3187889 BPBio1_000909 CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J08 compound treatment -0.05 0.295 0.29 -0.112 0.246 0.23 0.043 0.29608243902439 0.371209711004413 0.515 0.981 3061617 BPBio1_000910 OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J09 compound treatment -0.435 -0.0899 -0.09 -0.214 0.144 0.13 0.05 0.30308243902439 0.379985874783639 0.2445 0.593 1057 BPBio1_000911 OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J10 compound treatment -0.44 -0.0949 -0.09 -0.411 -0.0534 -0.05 -0.142 0.11108243902439 0.139268239696284 -0.0026 -0.015 1000092 BPBio1_000912 COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J11 compound treatment 0.542 0.887 0.88 0.628 0.986 0.91 0.705 0.95808243902439 1.20118405698269 1.7296 0.9898 3074401 BPBio1_000913 CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J12 compound treatment -0.12 0.225 0.22 0.189 0.547 0.51 0.162 0.41508243902439 0.520404495251263 0.7219 0.9503 1007994 BPBio1_000914 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J13 compound treatment -0.005 0.34 0.34 -0.123 0.235 0.22 0.306 0.55908243902439 0.70094272156678 0.7253 0.8977 2710 BPBio1_000915 COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J14 compound treatment 0.061 0.406 0.4 -0.212 0.146 0.13 0.406 0.65908243902439 0.826316489841444 0.788 0.8478 3060036 BPBio1_000916 C1CN=C(N1)C2COc3ccccc3O2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J15 compound treatment -0.222 0.123 0.12 -0.178 0.18 0.17 0.177 0.43008243902439 0.539210560492463 0.478 0.8278 3452 BPBio1_000917 CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J16 compound treatment -0.362 -0.0169 -0.02 0.45 0.808 0.75 -0.001 0.25208243902439 0.31604525296356 0.6045 0.7444 2844 BPBio1_000918 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J17 compound treatment -0.01 0.335 0.33 -0.079 0.279 0.26 -0.22 0.03308243902439 0.0414767004420458 0.3652 0.8626 3487254 BPBio1_000919 CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J18 compound treatment 0.23 0.575 0.57 0.199 0.557 0.52 0.311 0.56408243902439 0.707211409980513 1.0359 0.9911 1765 BPBio1_000920 CC1(C)NC(=O)N(C1=O)c2ccc([N+](=O)[O-])c(c2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J19 compound treatment 0.212 0.557 0.55 -0.037 0.321 0.3 0.402 0.65508243902439 0.821301539110457 0.9653 0.9335 3069696 BPBio1_000921 CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J20 compound treatment -0.384 -0.0389 -0.04 -0.601 -0.243 -0.23 -0.448 -0.19491756097561 -0.244375491224189 -0.2936 -0.8771 3172846 BPBio1_000922 NC(CO)(CO)CO.OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J21 compound treatment -0.444 -0.0989 -0.1 0.158 0.516 0.48 0.479 0.73208243902439 0.917839340681949 0.7488 0.7205 1405 BPBio1_000923 C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J22 compound treatment -0.633 -0.288 -0.29 -0.745 -0.387 -0.36 0.208 0.46108243902439 0.578076428657609 -0.0386 -0.0523 4487 BPBio1_000924 CNCCCC1c2ccccc2C=Cc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J23 mock treatment -0.155 0.19 0.19 -0.301 0.0566 0.05 -0.064 0.18908243902439 0.237059778950522 0.2762 0.8978 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 J24 mock treatment 0.006 0.351 0.35 -0.041 0.317 0.29 0.095 0.34808243902439 0.436404070507238 0.6227 0.9868 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K01 compound treatment 0.144 0.489 0.49 1.842 2.2 1.46 1.639 1.89208243902439 1.81990231375433 2.1721 0.9123 1002022 BPBio1_000925 NC(CCC(=O)O)C=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K02 compound treatment 1.914 2.26 1.57 2.456 2.81 1.55 0.352 0.60508243902439 0.758614654973125 2.236 0.96 2178 BPBio1_000926 NCc1cc(O)no1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K03 compound treatment 1.701 2.05 1.53 1.433 1.79 1.37 1.138 1.39108243902439 1.63597143884311 2.6194 0.9975 3616804 BPBio1_000927 COc1cc(ccc1O)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K04 compound treatment -0.084 0.261 0.26 0.433 0.791 0.73 0.128 0.38108243902439 0.477777414037877 0.8483 0.9303 3187759 BPBio1_000928 CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K05 compound treatment -0.364 -0.0189 -0.02 -0.097 0.261 0.24 -0.094 0.15908243902439 0.199447648468123 0.2436 0.7767 3480066 BPBio1_000929 CN(C)CCCC1(OCc2cc(C#N)ccc21)c3ccc(F)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K06 compound treatment -0.06 0.285 0.28 -0.112 0.246 0.23 -0.123 0.13008243902439 0.16308925566847 0.3891 0.9769 1499 BPBio1_000930 Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K07 compound treatment 0.245 0.59 0.59 0.468 0.826 0.76 0.057 0.31008243902439 0.388762038562866 1.0045 0.9667 1047 BPBio1_000931 CN(C)CCCN1c2ccccc2Sc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K08 compound treatment -0.116 0.229 0.23 -0.339 0.0186 0.02 0.02 0.27308243902439 0.34237374430124 0.3391 0.8239 3069624 BPBio1_000932 CC[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K09 compound treatment -0.119 0.226 0.22 -0.142 0.216 0.2 -0.465 -0.21191756097561 -0.265689031830882 0.0916 0.2284 1177 BPBio1_000933 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K10 compound treatment 0.039 0.384 0.38 -0.102 0.256 0.24 -0.111 0.14208243902439 0.17813410786143 0.4599 0.9517 3187760 BPBio1_000934 CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K11 compound treatment -0.559 -0.214 -0.21 -0.312 0.0456 0.04 -0.357 -0.10391756097561 -0.130285362094244 -0.1736 -0.6864 1463 BPBio1_000935 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K12 compound treatment -0.186 0.159 0.16 0.088 0.446 0.41 -0.027 0.22608243902439 0.283448073212148 0.4932 0.9394 934 BPBio1_000936 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K13 compound treatment 0.094 0.439 0.44 0.25 0.608 0.56 1.172 1.42508243902439 1.65083013198022 1.5299 0.851 1424515 BPBio1_000937 CCN1C(=O)NC(C1=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K14 compound treatment 0.225 0.57 0.57 0.265 0.623 0.58 -0.321 -0.06791756097561 -0.0851508055153651 0.6109 0.7515 896 BPBio1_000938 COc1ccccc1OCC(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K15 compound treatment -0.042 0.303 0.3 0.22 0.578 0.53 0.283 0.53608243902439 0.672106754863607 0.8708 0.9566 3069570 BPBio1_000939 C[C@@]12CCC3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K16 compound treatment -0.063 0.282 0.28 -0.384 -0.0264 -0.02 -0.167 0.08608243902439 0.107924797627618 0.2101 0.6969 1324 BPBio1_000940 CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K17 compound treatment -0.066 0.279 0.28 -0.151 0.207 0.19 0.204 0.45708243902439 0.573061477926622 0.6015 0.9048 1444 BPBio1_000941 C1CN=C(N1)C2CCCc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K18 compound treatment -0.626 -0.281 -0.28 -1.421 -1.06 -0.98 -0.945 -0.69191756097561 -0.86748311954927 -1.2306 -0.9172 1338 BPBio1_000942 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K19 compound treatment -0.465 -0.12 -0.12 -0.342 0.0156 0.01 -0.267 -0.01391756097561 -0.0174489706470464 -0.0706 -0.5814 1070 BPBio1_000943 CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K20 compound treatment -0.177 0.168 0.17 -0.312 0.0456 0.04 -0.289 -0.03591756097561 -0.0450311996674725 0.0949 0.5325 1533 BPBio1_000944 Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K21 compound treatment -0.452 -0.107 -0.11 -0.247 0.111 0.1 -0.502 -0.24891756097561 -0.312077326092507 -0.1824 -0.5284 1000312 BPBio1_000945 CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K22 compound treatment -0.476 -0.131 -0.13 -0.046 0.312 0.29 -0.164 0.08908243902439 0.111686010675858 0.1559 0.4645 956 BPBio1_000946 CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K23 mock treatment -0.433 -0.0879 -0.09 -0.121 0.237 0.22 -0.149 0.10408243902439 0.130492075917057 0.1514 0.5615 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 K24 mock treatment 0.108 0.453 0.45 0.278 0.636 0.59 0.149 0.40208243902439 0.504105905375557 0.8909 0.9939 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L01 compound treatment -1.113 -0.768 -0.76 -1.327 -0.969 -0.9 -0.614 -0.36091756097561 -0.452495946560131 -1.2203 -0.9667 2060391 BPBio1_000947 OC1/C(=C/C(=O)O)/CCCc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L02 compound treatment -0.515 -0.17 -0.17 -0.575 -0.217 -0.2 -1.003 -0.74991756097561 -0.940199905148575 -0.7566 -0.775 907433 BPBio1_000948 OC(=O)C1=CCCN(CCON=C(c2ccccc2)c3ccccc3)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L03 compound treatment -0.348 -0.00293 0.0 0.412 0.77 0.71 0.108 0.36108243902439 0.452702660382944 0.6711 0.7949 3197 BPBio1_000949 Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L04 compound treatment -0.346 -9.34E-4 0.0 -0.221 0.137 0.13 -0.803 -0.54991756097561 -0.689452368599247 -0.3256 -0.4644 1677 BPBio1_000950 CC(C)c1cccc(C(C)C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L05 compound treatment 0.151 0.496 0.49 0.067 0.425 0.39 0.261 0.51408243902439 0.644524525843181 0.8838 0.9801 3187892 BPBio1_000951 C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)C3(O)C(=C2C(=O)c4c(O)cccc14)O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L06 compound treatment 0.083 0.428 0.43 -0.302 0.0556 0.05 -0.579 -0.32591756097561 -0.408615127663999 0.0395 0.0667 3560914 BPBio1_000952 CCN1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L07 compound treatment 0.757 1.1 1.1 -0.202 0.156 0.14 -0.341 -0.08791756097561 -0.110225559170298 0.6521 0.5872 1000323 BPBio1_000953 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L08 compound treatment 0.865 1.21 1.2 0.653 1.01 0.94 0.637 0.89008243902439 1.11592989455592 1.8791 0.9948 962 BPBio1_000954 CCC1(C(=O)NCNC1=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L09 compound treatment -1.071 -0.726 -0.72 -0.06 0.298 0.28 0.252 0.50508243902439 0.633240886698461 0.108 0.1081 3616837 BPBio1_000955 CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L10 compound treatment -0.29 0.0551 0.05 0.098 0.456 0.42 0.384 0.63708243902439 0.798734260821018 0.7363 0.8137 1910 BPBio1_000956 Nc1nc(=O)[nH]cc1F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L11 compound treatment -0.226 0.119 0.12 0.126 0.484 0.45 -0.166 0.08708243902439 0.109178535310364 0.3899 0.8194 1000270 BPBio1_000957 CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L12 compound treatment -0.512 -0.167 -0.17 -0.398 -0.0404 -0.04 -0.21 0.04308243902439 0.0540140772695122 -0.0862 -0.4831 3069740 BPBio1_000958 C[C@]1(N[C@H]2Cc3ccccc31)c4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L13 compound treatment 0.448 0.793 0.79 -0.01 0.348 0.32 0.091 0.34408243902439 0.431389119776252 0.8901 0.9324 865 BPBio1_000959 Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L14 compound treatment 2.054 2.4 1.59 0.891 1.25 1.16 1.62 1.87308243902439 1.81407426387945 2.6342 0.9842 3616850 BPBio1_000960 C[N+](C)(CCOc1ccccc1)Cc2ccccc2.OC(=O)c1cc2ccccc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L15 compound treatment -0.117 0.228 0.23 -0.006 0.352 0.33 -0.373 -0.11991756097561 -0.15034516501819 0.2321 0.547 3069698 BPBio1_000961 CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L16 compound treatment 0.214 0.559 0.56 -0.272 0.0856 0.08 0.43 0.68308243902439 0.856406194227363 0.8611 0.8409 3069741 BPBio1_000962 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L17 compound treatment -0.343 0.00207 0.0 0.172 0.53 0.49 -0.132 0.12108243902439 0.15180561652375 0.372 0.7246 1215118 BPBio1_000963 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L18 compound treatment -0.5 -0.155 -0.15 -0.203 0.155 0.14 0.045 0.29808243902439 0.373717186369906 0.2095 0.4885 1095 BPBio1_000964 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L19 compound treatment 0.34 0.685 0.68 -0.234 0.124 0.11 -0.037 0.21608243902439 0.270910696384681 0.6157 0.83 3616839 BPBio1_000965 CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L20 compound treatment 0.101 0.446 0.44 -0.672 -0.314 -0.29 -0.069 0.18408243902439 0.230791090536789 0.2212 0.3824 2685 BPBio1_000966 OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L21 compound treatment 0.098 0.443 0.44 -0.06 0.298 0.28 0.284 0.53708243902439 0.673360492546354 0.8022 0.9432 3069699 BPBio1_000967 C[C@@H]1NC(=O)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L22 compound treatment 0.0 0.345 0.34 0.549 0.907 0.84 0.474 0.72708243902439 0.911570652268216 1.209 0.9403 1020463 BPBio1_000968 Oc1cc2ccc(=O)oc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L23 mock treatment -0.174 0.171 0.17 -0.15 0.208 0.19 -0.148 0.10508243902439 0.131745813599804 0.2852 0.9887 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 L24 mock treatment -0.33 0.0151 0.01 -0.271 0.0866 0.08 -0.209 0.04408243902439 0.0552678149522589 0.0869 0.8814 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M01 compound treatment -0.405 -0.0599 -0.06 -0.335 0.0226 0.02 -0.132 0.12108243902439 0.15180561652375 0.0653 0.3973 1677 BPBio1_000969 CC(C)c1cccc(C(C)C)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M02 compound treatment 0.067 0.412 0.41 0.457 0.815 0.75 -0.12 0.13308243902439 0.16685046871671 0.7683 0.8787 907141 BPBio1_000970 NCC(CP(=O)(O)O)c1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M03 compound treatment -0.09 0.255 0.25 -0.056 0.302 0.28 -0.431 -0.17791756097561 -0.223061950617496 0.1789 0.4081 1005 BPBio1_000971 OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M04 compound treatment -0.114 0.231 0.23 0.465 0.823 0.76 -0.228 0.02508243902439 0.0314467989800726 0.5905 0.7417 3069627 BPBio1_000972 CCC(=O)OC1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)CCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M05 compound treatment -0.825 -0.48 -0.48 -0.34 0.0176 0.02 -0.854 -0.60091756097561 -0.753392990419325 -0.701 -0.786 1603 BPBio1_000973 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M06 compound treatment 0.008 0.353 0.35 -0.168 0.19 0.18 -0.288 -0.03491756097561 -0.0437774619847259 0.2787 0.7059 1001531 BPBio1_000974 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M07 compound treatment -1.006 -0.661 -0.66 -0.522 -0.164 -0.15 -0.182 0.07108243902439 0.0891187323864182 -0.4158 -0.6112 907320 BPBio1_000975 CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(c3ccccc3)c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M08 compound treatment -0.396 -0.0509 -0.05 -0.46 -0.102 -0.09 0.021 0.27408243902439 0.343627481983987 0.1144 0.3178 877 BPBio1_000976 CC(C)(Oc1ccc(Cl)cc1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M09 compound treatment 0.291 0.636 0.63 1.093 1.45 1.29 0.075 0.32808243902439 0.411329316852305 1.345 0.9022 955 BPBio1_000977 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M10 compound treatment -0.393 -0.0479 -0.05 -0.398 -0.0404 -0.04 -0.156 0.09708243902439 0.121715912137831 0.0212 0.1557 917 BPBio1_000978 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M11 compound treatment 0.369 0.714 0.71 0.211 0.569 0.53 0.115 0.36808243902439 0.461478824162171 0.9803 0.9832 1286 BPBio1_000979 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M12 compound treatment -0.015 0.33 0.33 -0.425 -0.0674 -0.06 -0.206 0.04708243902439 0.0590290280004988 0.1875 0.5528 1481 BPBio1_000980 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc4ccccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M13 compound treatment -0.354 -0.00893 -0.01 -0.322 0.0356 0.03 -0.052 0.20108243902439 0.252104631143482 0.1595 0.6268 863 BPBio1_000981 CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M14 compound treatment 3.753 4.1 1.79 3.969 4.33 1.68 1.188 1.44108243902439 1.65767933027949 2.9615 0.9995 3092 BPBio1_000982 Cn1ccnc1S 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M15 compound treatment -0.152 0.193 0.19 -0.14 0.218 0.2 -0.342 -0.08891756097561 -0.111479296853045 0.1628 0.543 1441 BPBio1_000983 CN1CCC(CC1)OC(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M16 compound treatment 4.589 4.93 1.84 4.747 5.1 1.73 2.621 2.87408243902439 2.04624924872655 3.2461 0.9976 3616821 BPBio1_000984 O[Hg]c1c(O)c(Br)cc2c1Oc3cc(O)c(Br)cc3C42OC(=O)c5ccccc54 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M17 compound treatment 0.095 0.44 0.44 0.693 1.05 0.97 -0.095 0.15808243902439 0.198193910785376 0.9287 0.856 1373 BPBio1_000985 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M18 compound treatment -0.433 -0.0879 -0.09 -0.633 -0.275 -0.25 -0.32 -0.06691756097561 -0.0838970678326185 -0.2461 -0.8718 3187761 BPBio1_000986 CC(CNC1CCCCC1)OC(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M19 compound treatment -0.619 -0.274 -0.27 -0.679 -0.321 -0.3 -0.382 -0.12891756097561 -0.16162880416291 -0.4224 -0.9719 1012 BPBio1_000987 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M20 compound treatment -0.242 0.103 0.1 -0.636 -0.278 -0.26 -0.673 -0.41991756097561 -0.526466469842183 -0.3936 -0.6615 793 BPBio1_000988 CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M21 compound treatment 0.037 0.382 0.38 -0.067 0.291 0.27 -0.203 0.05008243902439 0.0627902410487387 0.4109 0.8748 2117332 BPBio1_000989 C[C@@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]2(O)CC[C@@H]1C5=CC(=O)OC5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M22 compound treatment -0.266 0.0791 0.08 -0.351 0.00661 0.01 -0.176 0.07708243902439 0.0966411584828981 0.1047 0.8396 2080598 BPBio1_000990 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M23 mock treatment 0.156 0.501 0.5 0.0 0.358 0.33 -0.262 -0.00891756097561003 -0.0111802822333132 0.4723 0.7895 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 M24 mock treatment 0.04 0.385 0.38 -0.131 0.227 0.21 -0.107 0.14608243902439 0.183149058592416 0.4479 0.9461 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N01 compound treatment 0.686 1.03 1.03 1.772 2.13 1.44 0.644 0.89708243902439 1.12470605833514 2.0746 0.9891 1001950 BPBio1_000991 COc1ccc2[C@@H](OC(=O)c2c1OC)[C@H]3N(C)CCc4cc5OCOc5cc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N02 compound treatment 1.011 1.36 1.34 1.493 1.85 1.39 0.779 1.03208243902439 1.29396064550594 2.3227 0.9996 3614723 BPBio1_000992 Nn1cc(Br)c(=O)[nH]c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N03 compound treatment -0.246 0.0991 0.1 -0.173 0.185 0.17 -0.528 -0.27491756097561 -0.34467450584392 -0.0434 -0.1094 1764 BPBio1_000993 NCC1(CC(=O)O)CCCCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N04 compound treatment -0.273 0.0721 0.07 -0.552 -0.194 -0.18 -0.511 -0.25791756097561 -0.323360965237227 -0.2492 -0.6612 2030 BPBio1_000994 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N05 compound treatment -0.349 -0.00393 0.0 -0.507 -0.149 -0.14 -0.308 -0.05491756097561 -0.0688522156396587 -0.1219 -0.7885 1694 BPBio1_000995 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N06 compound treatment 0.592 0.937 0.93 0.911 1.27 1.17 1.082 1.33508243902439 1.61055292456413 2.1459 0.9753 907192 BPBio1_000996 CC[N+](C)(C)Cc1ccccc1Br 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N07 compound treatment -0.026 0.319 0.32 -0.398 -0.0404 -0.04 -0.307 -0.05391756097561 -0.0675984779569121 0.1225 0.3753 2764 BPBio1_000997 CC(O)(P(=O)(O)O)P(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N08 compound treatment 0.009 0.354 0.35 -0.375 -0.0174 -0.02 -0.311 -0.05791756097561 -0.0726134286878987 0.152 0.4225 3172714 BPBio1_000998 C[n+]1ccccc1/C=N/O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N09 compound treatment -0.006 0.339 0.34 -0.119 0.239 0.22 -0.141 0.11208243902439 0.140521977379031 0.4033 0.9449 3069699 BPBio1_000999 C[C@@H]1NC(=O)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N10 compound treatment -0.093 0.252 0.25 -0.082 0.276 0.26 0.029 0.28208243902439 0.35365738344596 0.4962 0.9865 1395 BPBio1_001000 CC(COc1ccccc1)N(CCCl)Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N11 compound treatment -0.504 -0.159 -0.16 -0.827 -0.469 -0.43 -0.739 -0.48591756097561 -0.609213156903462 -0.6939 -0.9072 1000094 BPBio1_001001 CCC(C)(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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N12 compound treatment -0.947 -0.602 -0.6 -1.336 -0.978 -0.91 -0.491 -0.23791756097561 -0.298286211582294 -1.0408 -0.9243 3480629 BPBio1_001002 OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N13 compound treatment 0.043 0.388 0.39 -0.109 0.249 0.23 -0.134 0.11908243902439 0.149298141158257 0.4418 0.9333 3616840 BPBio1_001003 Nc1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N14 compound treatment 0.512 0.857 0.85 2.076 2.43 1.49 0.452 0.70508243902439 0.883988423247789 1.865 0.9644 1371 BPBio1_001004 CN(C)c1nc(nc(n1)N(C)C)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N15 compound treatment 0.007 0.352 0.35 0.124 0.482 0.45 -0.201 0.05208243902439 0.065297716414232 0.4972 0.8714 3616841 BPBio1_001005 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N16 compound treatment -0.154 0.191 0.19 -0.475 -0.117 -0.11 -0.37 -0.11691756097561 -0.146583951969951 -0.0377 -0.1432 349 BPBio1_001006 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N17 compound treatment -0.465 -0.12 -0.12 -0.433 -0.0754 -0.07 -0.408 -0.15491756097561 -0.194225983914323 -0.2213 -0.9284 1267 BPBio1_001007 CC(=O)Nc1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N18 compound treatment -0.045 0.3 0.3 0.128 0.486 0.45 -0.052 0.20108243902439 0.252104631143482 0.5774 0.9694 1428570 BPBio1_001008 CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N19 compound treatment -0.254 0.0911 0.09 -0.155 0.203 0.19 -0.056 0.19708243902439 0.247089680412495 0.3032 0.9383 1604 BPBio1_001009 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N20 compound treatment -0.412 -0.0669 -0.07 -0.707 -0.349 -0.32 -0.583 -0.32991756097561 -0.413630078394985 -0.464 -0.8766 893 BPBio1_001010 NCC(O)c1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N21 compound treatment 0.216 0.561 0.56 0.589 0.947 0.88 0.476 0.72908243902439 0.914078127633709 1.3558 0.9798 2137 BPBio1_001011 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N22 compound treatment -0.138 0.207 0.21 -0.135 0.223 0.21 0.023 0.27608243902439 0.34613495734948 0.4377 0.9675 806 BPBio1_001012 OC(=O)C1CCCNC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N23 mock treatment -0.311 0.0341 0.03 0.022 0.38 0.35 0.031 0.28408243902439 0.356164858811453 0.4281 0.8536 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 N24 mock treatment -0.528 -0.183 -0.18 -0.575 -0.217 -0.2 -0.26 -0.00691756097561003 -0.00867280686781992 -0.2262 -0.8335 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O01 compound treatment 0.143 0.488 0.49 0.118 0.476 0.44 0.386 0.63908243902439 0.801241736186511 0.997 0.9632 3060125 BPBio1_001013 CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O02 compound treatment 0.586 0.931 0.93 0.179 0.537 0.5 0.538 0.79108243902439 0.991809863964001 1.3939 0.9648 2292 BPBio1_001014 CP(=O)(O)CCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O03 compound treatment -0.084 0.261 0.26 -0.317 0.0406 0.04 -0.253 8.24390243899797E-5 1.03356911406587E-4 0.1716 0.6544 1155 BPBio1_001015 Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O04 compound treatment -0.099 0.246 0.24 -0.683 -0.325 -0.3 -0.567 -0.31391756097561 -0.393570275471039 -0.2599 -0.4703 1000165 BPBio1_001016 COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O05 compound treatment -0.203 0.142 0.14 -0.458 -0.1 -0.09 -0.247 0.00608243902438999 0.00762578300788645 0.0323 0.1907 1513 BPBio1_001017 CCOC(=O)c1ccc(N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O06 compound treatment -0.434 -0.0889 -0.09 0.162 0.52 0.48 -0.327 -0.07391756097561 -0.092673231611845 0.1732 0.3479 244 BPBio1_001018 CC[N+](C)(CC)CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O07 compound treatment -0.028 0.317 0.32 -0.178 0.18 0.17 -0.14 0.11308243902439 0.141775715061777 0.3599 0.9382 1242 BPBio1_001019 CN(CS(=O)(=O)O)c1c(C)n(C)n(c2ccccc2)c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O08 compound treatment -0.494 -0.149 -0.15 -0.341 0.0166 0.02 -0.603 -0.34991756097561 -0.438704832049918 -0.3299 -0.7121 1431 BPBio1_001020 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O09 compound treatment -0.344 0.00107 0.0 0.252 0.61 0.56 0.266 0.51908243902439 0.650793214256914 0.7022 0.8152 1064 BPBio1_001021 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O10 compound treatment -0.376 -0.0309 -0.03 -0.129 0.229 0.21 0.363 0.61608243902439 0.772405769483338 0.5504 0.6867 3187762 BPBio1_001022 CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O11 compound treatment -0.085 0.26 0.26 0.293 0.651 0.6 -0.182 0.07108243902439 0.0891187323864182 0.5485 0.8291 1668673 BPBio1_001023 Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O12 compound treatment -0.12 0.225 0.22 0.102 0.46 0.43 -0.205 0.04808243902439 0.0602827656832454 0.4097 0.8455 3383 BPBio1_001024 Cc1cc(no1)C(=O)NNCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O13 compound treatment -0.149 0.196 0.19 0.451 0.809 0.75 -0.591 -0.33791756097561 -0.423659979856958 0.3002 0.3403 1467 BPBio1_001025 CCCCOc1ccc(OCCCN2CCOCC2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O14 compound treatment -0.574 -0.229 -0.23 -0.305 0.0526 0.05 0.055 0.30808243902439 0.386254563197372 0.1197 0.2655 2105063 BPBio1_001026 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O15 compound treatment -0.159 0.186 0.18 -0.076 0.282 0.26 0.432 0.68508243902439 0.858913669592856 0.7532 0.8219 3069574 BPBio1_001027 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O16 compound treatment -0.112 0.233 0.23 -0.381 -0.0234 -0.02 -0.174 0.07908243902439 0.0991486338483913 0.1785 0.7057 2752 BPBio1_001028 COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O17 compound treatment -0.268 0.0771 0.08 -0.326 0.0316 0.03 -0.217 0.03608243902439 0.0452379134902857 0.0873 0.9315 2081008 BPBio1_001029 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O18 compound treatment -0.165 0.18 0.18 -0.262 0.0956 0.09 -0.462 -0.20891756097561 -0.261927818782642 0.0032 0.0098 1370 BPBio1_001030 C/C=C(/C(=C/C)/c1ccc(O)cc1)\c2ccc(O)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O19 compound treatment -0.379 -0.0339 -0.03 -0.328 0.0296 0.03 -0.228 0.02508243902439 0.0314467989800726 0.0145 0.2704 759 BPBio1_001031 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O20 compound treatment -0.157 0.188 0.19 -0.005 0.353 0.33 -0.145 0.10808243902439 0.135507026648044 0.3747 0.9369 1328 BPBio1_001032 OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O21 compound treatment -0.456 -0.111 -0.11 0.164 0.522 0.48 -0.062 0.19108243902439 0.239567254316015 0.3535 0.6424 3616807 BPBio1_001033 CO/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)/c3ccco3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O22 compound treatment -0.059 0.286 0.28 -0.425 -0.0674 -0.06 -0.016 0.23708243902439 0.297239187722361 0.2998 0.7205 794 BPBio1_001034 Nc1cc(c[nH]c1=O)c2ccncc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O23 mock treatment -0.353 -0.00793 -0.01 -0.325 0.0326 0.03 -0.269 -0.01591756097561 -0.0199564460125397 0.0014 0.0366 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 O24 mock treatment 0.065 0.41 0.41 -0.023 0.335 0.31 -0.025 0.22808243902439 0.285955548577641 0.5793 0.9878 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P01 compound treatment -0.216 0.129 0.13 -0.585 -0.227 -0.21 0.215 0.46808243902439 0.586852592436835 0.2913 0.4577 1206 BPBio1_001035 CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P02 compound treatment 0.524 0.869 0.86 0.478 0.836 0.77 -0.312 -0.05891756097561 -0.0738671663706453 0.9029 0.7769 3060051 BPBio1_001036 COC(=O)c1cc2c(cn1)[nH]c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P03 compound treatment -0.084 0.261 0.26 0.037 0.395 0.37 -0.376 -0.12291756097561 -0.15410637806643 0.2718 0.5736 3069701 BPBio1_001037 C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P04 compound treatment -0.421 -0.0759 -0.08 -0.017 0.341 0.32 -0.278 -0.02491756097561 -0.0312400851572595 0.1205 0.3698 2660 BPBio1_001038 CCN(C(=O)/C=C/C)c1ccccc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P05 compound treatment -0.087 0.258 0.26 0.451 0.809 0.75 -0.544 -0.29091756097561 -0.364734308767866 0.3698 0.4244 3487261 BPBio1_001039 COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P06 compound treatment -0.418 -0.0729 -0.07 -0.177 0.181 0.17 -0.088 0.16508243902439 0.206970074564603 0.1742 0.6316 351 BPBio1_001040 CC(C)NCC(O)COc1cccc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P07 compound treatment -0.169 0.176 0.18 -0.158 0.2 0.18 -0.358 -0.10491756097561 -0.131539099776991 0.1318 0.4601 856 BPBio1_001041 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P08 compound treatment 0.508 0.853 0.85 1.0 1.36 1.26 0.807 1.06008243902439 1.32906530062285 1.9828 0.9833 1001858 BPBio1_001042 CC(C)NC[C@H](O)COc1ccc(CC(=O)N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P09 compound treatment -0.069 0.276 0.27 -0.04 0.318 0.29 -0.558 -0.30491756097561 -0.382286636326319 0.1075 0.1938 1222 BPBio1_001043 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P10 compound treatment 0.256 0.601 0.6 -0.139 0.219 0.2 0.609 0.86208243902439 1.08082523943901 1.0859 0.8677 3188022 BPBio1_001044 CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(cc(Cc3cc(ccc3OCOCCOCCO)C(C)(C)CC(C)(C)C)c2OCOCCOCCO)C(C)(C)CC(C)(C)C)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P11 compound treatment 0.055 0.4 0.4 0.044 0.402 0.37 0.012 0.26508243902439 0.332343842839267 0.6362 0.9973 687 BPBio1_001045 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P12 compound treatment -0.264 0.0811 0.08 0.09 0.448 0.41 0.043 0.29608243902439 0.371209711004413 0.5001 0.8896 3069742 BPBio1_001046 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P13 compound treatment -0.769 -0.424 -0.42 -0.222 0.136 0.13 -0.137 0.11608243902439 0.145536928110017 -0.0868 -0.1874 989 BPBio1_001047 NC(=N)NCCCCNC(=N)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P14 compound treatment 0.852 1.2 1.19 0.281 0.639 0.59 -0.24 0.01308243902439 0.016401946787113 1.038 0.781 4369 BPBio1_001048 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P15 compound treatment -0.069 0.276 0.27 0.226 0.584 0.54 0.102 0.35508243902439 0.445180234286465 0.7275 0.9674 3075421 BPBio1_001049 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P16 compound treatment 0.162 0.507 0.5 -0.236 0.122 0.11 -0.303 -0.04991756097561 -0.0625835272259255 0.3199 0.6149 3069771 BPBio1_001050 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P17 compound treatment 0.029 0.374 0.37 0.467 0.825 0.76 -0.06 0.19308243902439 0.242074729681509 0.7953 0.9006 3487262 BPBio1_001051 OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P18 compound treatment 0.331 0.676 0.67 -0.185 0.173 0.16 0.022 0.27508243902439 0.344881219666733 0.6794 0.8799 1000212 BPBio1_001052 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P19 compound treatment 0.366 0.711 0.71 0.241 0.599 0.55 0.359 0.61208243902439 0.767390818752352 1.1712 0.9913 446 BPBio1_001053 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P20 compound treatment -0.237 0.108 0.11 -0.142 0.216 0.2 -0.516 -0.26291756097561 -0.32962965365096 -0.013 -0.0325 4481 BPBio1_001054 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P21 compound treatment -0.195 0.15 0.15 -0.341 0.0166 0.02 -0.412 -0.15891756097561 -0.19924093464531 -0.02 -0.0803 1327 BPBio1_001055 C[N+](C)(C)CCOC(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P22 compound treatment 0.758 1.1 1.1 0.228 0.586 0.54 0.321 0.57408243902439 0.719748786807979 1.3618 0.9594 1167 BPBio1_001056 NCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P23 mock treatment -0.081 0.264 0.26 -0.007 0.351 0.32 -0.099 0.15408243902439 0.19317896005439 0.4505 0.9793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2322 P24 mock treatment -0.41 -0.0649 -0.06 -0.36 -0.00239 0.0 0.003 0.25608243902439 0.321060203694547 0.1468 0.4483 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A01 compound treatment 0.081 0.426 0.42 0.0 0.358 0.33 0.892 1.14508243902439 1.43563300365631 1.2646 0.8249 3614724 BPBio1_001057 CCCCOC(=O)c1cc2c(cn1)[nH]c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A02 compound treatment -0.306 0.0391 0.04 -0.272 0.0856 0.08 -0.447 -0.19391756097561 -0.243121753541442 -0.0722 -0.279 3614728 BPBio1_001058 COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A03 compound treatment -0.184 0.161 0.16 0.904 1.26 1.17 0.273 0.52608243902439 0.65956937803614 1.1477 0.8495 1073908 BPBio1_001059 CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A04 compound treatment 0.087 0.432 0.43 0.236 0.594 0.55 -0.297 -0.04391756097561 -0.0550611011294457 0.5335 0.7625 3616869 BPBio1_001060 CCOC(=O)c1cncn1[C@@H](C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A05 compound treatment -1.0 -0.655 -0.65 -0.942 -0.584 -0.54 -1.554 -1.30091756097561 -1.63100936834198 -1.63 -0.887 1322 BPBio1_001061 COc1cc2ccc(=O)oc2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A06 compound treatment -0.304 0.0411 0.04 -0.312 0.0456 0.04 -0.386 -0.13291756097561 -0.166643754893897 -0.0483 -0.2731 3188157 BPBio1_001062 CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A07 compound treatment -0.265 0.0801 0.08 -0.127 0.231 0.21 -0.216 0.03708243902439 0.0464916511730324 0.1961 0.8431 1081653 BPBio1_001063 Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A08 compound treatment -0.375 -0.0299 -0.03 -0.358 -3.9E-4 0.0 -0.267 -0.01391756097561 -0.0174489706470464 -0.0275 -0.7961 3487585 BPBio1_001064 CC(C)(C)NCC(O)COc1ccccc1C2CCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A09 compound treatment -0.059 0.286 0.28 -0.065 0.293 0.27 0.026 0.27908243902439 0.34989617039772 0.5226 0.9935 1203 BPBio1_001065 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A10 compound treatment 0.97 1.32 1.31 0.155 0.513 0.47 0.065 0.31808243902439 0.398791940024839 1.2591 0.8702 3188158 BPBio1_001066 CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)COC(=O)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A11 compound treatment -0.25 0.0951 0.09 -0.632 -0.274 -0.25 -0.171 0.08208243902439 0.102909846896631 -0.0327 -0.1128 2060138 BPBio1_001067 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A12 compound treatment -0.41 -0.0649 -0.06 -0.531 -0.173 -0.16 -0.291 -0.03791756097561 -0.0475386750329658 -0.1574 -0.8772 3069813 BPBio1_001068 Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A13 compound treatment 0.118 0.463 0.46 -0.255 0.103 0.1 -0.222 0.03108243902439 0.0389692250765525 0.3431 0.7275 3480627 BPBio1_001069 CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A14 compound treatment 2.222 2.57 1.62 3.285 3.64 1.63 1.551 1.80408243902439 1.79226522872313 2.9121 0.9989 3188159 BPBio1_001070 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A15 compound treatment -0.451 -0.106 -0.11 1.971 2.33 1.48 0.081 0.33408243902439 0.418851742948785 1.0342 0.6717 3616851 BPBio1_001071 CN1[C@H]2C[C@@H](O)[C@@H]1CC(=O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A16 compound treatment 0.185 0.53 0.53 0.204 0.562 0.52 -0.026 0.22708243902439 0.284701810894894 0.7689 0.9693 3168 BPBio1_001072 NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A17 compound treatment -0.363 -0.0179 -0.02 0.237 0.595 0.55 -0.694 -0.44091756097561 -0.552794961179863 -0.0116 -0.0148 3855 BPBio1_001073 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A18 compound treatment 0.552 0.897 0.89 0.755 1.11 1.03 1.035 1.28808243902439 1.58825329217571 2.0267 0.9685 3188160 BPBio1_001074 CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A19 compound treatment -0.286 0.0591 0.06 0.03 0.388 0.36 -0.325 -0.07191756097561 -0.0901657562463517 0.1891 0.5046 1040327 BPBio1_001075 CC(=O)Nc1cc2ccccc2oc1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A20 compound treatment -0.552 -0.207 -0.21 -0.266 0.0916 0.08 -0.228 0.02508243902439 0.0314467989800726 -0.0516 -0.2298 943 BPBio1_001076 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A21 compound treatment 0.601 0.946 0.94 -0.015 0.343 0.32 0.004 0.25708243902439 0.322313941377294 0.9123 0.8741 1120 BPBio1_001077 Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A22 compound treatment -0.245 0.1 0.1 -0.403 -0.0454 -0.04 -0.037 0.21608243902439 0.270910696384681 0.1896 0.65 3069814 BPBio1_001078 CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A23 mock treatment -0.129 0.216 0.21 -0.287 0.0706 0.07 -0.145 0.10808243902439 0.135507026648044 0.24 0.9151 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 A24 mock treatment -0.194 0.151 0.15 0.272 0.63 0.58 0.034 0.28708243902439 0.359926071859693 0.6311 0.8998 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B01 compound treatment 0.158 0.503 0.5 0.21 0.568 0.53 0.053 0.30608243902439 0.383747087831879 0.8137 0.9915 429 BPBio1_001079 NCCc1c[nH]c2ccc(O)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B02 compound treatment 0.567 0.912 0.91 0.533 0.891 0.82 -0.032 0.22108243902439 0.277179384798415 1.1597 0.9228 3614640 BPBio1_001080 C[C@@H](N)CCCP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B03 compound treatment -0.197 0.148 0.15 -0.384 -0.0264 -0.02 -0.229 0.02408243902439 0.030193061297326 0.0883 0.5801 309349 BPBio1_001081 CN1CCN(CC1)c2ccc3ccccc3n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B04 compound treatment 0.987 1.33 1.32 2.922 3.28 1.6 0.885 1.13808243902439 1.42685683987709 2.5113 0.997 3614665 BPBio1_001082 N[C@@]1(CC[C@@H](C1)C(=O)O)C(=O)O.N[C@]1(CC[C@H](C1)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B05 compound treatment -0.041 0.304 0.3 0.126 0.484 0.45 -0.234 0.01908243902439 0.0239243728835928 0.4469 0.8263 907389 BPBio1_001083 CC(N)Cc1c[nH]c2ccc(O)cc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B06 compound treatment 0.163 0.508 0.51 0.637 0.995 0.92 1.631 1.88408243902439 1.81745746347277 1.8726 0.8921 1325 BPBio1_001084 NC1(CCCC1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B07 compound treatment 0.927 1.27 1.26 0.141 0.499 0.46 0.07 0.32308243902439 0.405060628438572 1.2306 0.8753 3614527 BPBio1_001085 C=CCN1CCN(CC1)c2nc3ccccc3nc2C#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B08 compound treatment -0.058 0.287 0.29 0.283 0.641 0.59 -0.165 0.08808243902439 0.110432272993111 0.571 0.8555 831767 BPBio1_001086 NCCCNCCCCNCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B09 compound treatment 0.014 0.359 0.36 -0.047 0.311 0.29 -0.227 0.02608243902439 0.0327005366628193 0.391 0.8508 3614475 BPBio1_001087 Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B10 compound treatment -0.441 -0.0959 -0.1 -1.204 -0.846 -0.78 -0.51 -0.25691756097561 -0.32210722755448 -0.6935 -0.8133 2105 BPBio1_001088 CC1Nc2ccc(Cl)cc2S(=O)(=O)N1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B11 compound treatment 0.077 0.422 0.42 0.32 0.678 0.63 0.116 0.36908243902439 0.462732561844918 0.8717 0.9845 3561419 BPBio1_001089 Clc1cccc(SC2CCNCC2)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B12 compound treatment 0.108 0.453 0.45 -0.042 0.316 0.29 0.177 0.43008243902439 0.539210560492463 0.7401 0.9726 3614454 BPBio1_001090 CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B13 compound treatment 0.251 0.596 0.59 -0.464 -0.106 -0.1 -0.546 -0.29291756097561 -0.36724178413336 0.0732 0.104 907222 BPBio1_001091 CN1CCN(CC1)c2nc3cc(ccc3n4cccc24)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B14 compound treatment 0.504 0.849 0.84 0.702 1.06 0.98 0.622 0.87508243902439 1.09712382931472 1.6872 0.9944 3061067 BPBio1_001092 CCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B15 compound treatment 0.272 0.617 0.61 0.125 0.483 0.45 0.043 0.29608243902439 0.371209711004413 0.8265 0.9782 1077753 BPBio1_001093 CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B16 compound treatment 0.73 1.08 1.07 2.225 2.58 1.52 1.487 1.74008243902439 1.77108173183678 2.5148 0.9806 3177240 BPBio1_001094 OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c4ccc(Cl)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B17 compound treatment 0.268 0.613 0.61 -0.301 0.0566 0.05 -0.215 0.03808243902439 0.047745388855779 0.4097 0.6677 3614505 BPBio1_001095 CC(C)[C@@]1(NC(=O)[C@@H]2CC3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B18 compound treatment -0.289 0.0561 0.06 0.182 0.54 0.5 -0.182 0.07108243902439 0.0891187323864182 0.3721 0.7288 3614486 BPBio1_001096 Cc1c(noc1c2ccc(Cl)cc2)C3CCN(CCc4ccccc4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B19 compound treatment -0.245 0.1 0.1 -0.206 0.152 0.14 0.466 0.71908243902439 0.901540750806242 0.659 0.718 1001895 BPBio1_001097 CN(C)CCCSc1ccccc1NC(=O)/C=C/c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B20 compound treatment 0.002 0.347 0.35 -0.049 0.309 0.29 -0.037 0.21608243902439 0.270910696384681 0.5206 0.9944 1001903 BPBio1_001098 COc1ccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B21 compound treatment -0.133 0.212 0.21 0.124 0.482 0.45 0.192 0.44508243902439 0.558016625733662 0.7014 0.9417 3560446 BPBio1_001099 CN1CCN(CC1)C2=Nc3cc(F)ccc3Cc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B22 compound treatment -0.071 0.274 0.27 -0.205 0.153 0.14 0.537 0.79008243902439 0.990556126281254 0.8108 0.7818 734 BPBio1_001100 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B23 mock treatment -0.155 0.19 0.19 -0.324 0.0336 0.03 -0.112 0.14108243902439 0.176880370178683 0.2292 0.8791 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 B24 mock treatment -0.321 0.0241 0.02 -0.242 0.116 0.11 -0.157 0.09608243902439 0.120462174455084 0.1452 0.891 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C01 compound treatment -0.337 0.00807 0.01 -0.732 -0.374 -0.35 0.73 0.98308243902439 1.23252749905136 0.5161 0.4031 3561772 BPBio1_001101 CCCOC(=O)c1cc2c(cn1)[nH]c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C02 compound treatment -0.922 -0.577 -0.57 -0.03 0.328 0.3 -0.126 0.12708243902439 0.15932804262023 -0.064 -0.0958 907300 BPBio1_001102 CNC(=O)c1cc2c(cn1)[nH]c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C03 compound treatment -0.182 0.163 0.16 -0.114 0.244 0.23 -0.082 0.17108243902439 0.214492500661082 0.3477 0.9906 3188026 BPBio1_001103 CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C04 compound treatment -0.159 0.186 0.18 -0.391 -0.0334 -0.03 -0.304 -0.05091756097561 -0.0638372649086722 0.0521 0.2629 1267101 BPBio1_001104 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C05 compound treatment -0.036 0.309 0.31 -0.109 0.249 0.23 0.079 0.33208243902439 0.416344267583292 0.5507 0.9723 864 BPBio1_001105 Oc1noc2CNCCc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C06 compound treatment -0.42 -0.0749 -0.07 0.012 0.37 0.34 -0.166 0.08708243902439 0.109178535310364 0.2176 0.5932 1487 BPBio1_001106 CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C07 compound treatment 0.362 0.707 0.7 1.223 1.58 1.32 0.223 0.47608243902439 0.596882493898808 1.514 0.939 1134931 BPBio1_001107 Cc1ccc2n3CCNC4CCCc(c43)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C08 compound treatment -0.242 0.103 0.1 -0.208 0.15 0.14 -0.374 -0.12091756097561 -0.151598902700937 0.0516 0.2249 3188161 BPBio1_001108 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](/N=C/N3CCCCCC3)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C09 compound treatment -0.632 -0.287 -0.29 0.003 0.361 0.33 -0.403 -0.14991756097561 -0.18795729550059 -0.0804 -0.1684 1512 BPBio1_001109 CC(C)NCC(O)c1ccc2ccccc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C10 compound treatment -0.18 0.165 0.16 -0.355 0.00261 0.0 -0.166 0.08708243902439 0.109178535310364 0.1592 0.8075 3188162 BPBio1_001110 CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2.OS(=O)(=O)c1ccc2ccccc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C11 compound treatment -0.274 0.0711 0.07 -0.304 0.0536 0.05 -0.127 0.12608243902439 0.158074304937484 0.1607 0.8923 3480607 BPBio1_001111 COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C12 compound treatment -0.223 0.122 0.12 -0.244 0.114 0.11 0.053 0.30608243902439 0.383747087831879 0.3524 0.847 772 BPBio1_001112 CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C13 compound treatment -0.632 -0.287 -0.29 0.162 0.52 0.48 0.299 0.55208243902439 0.692166557787553 0.5127 0.5761 907524 BPBio1_001113 CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C14 compound treatment 0.518 0.863 0.86 -0.037 0.321 0.3 -0.002 0.25108243902439 0.314791515280814 0.8485 0.883 1001642 BPBio1_001114 OC[C@H]1OC(C[C@@H]1O)n2cc(c(=O)[nH]c2=O)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C15 compound treatment -0.214 0.131 0.13 -0.204 0.154 0.14 -0.341 -0.08791756097561 -0.110225559170298 0.0937 0.4218 2372 BPBio1_001115 COc1cc(ccc1OC(F)F)c2ccc(=O)[nH]n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C16 compound treatment 0.276 0.621 0.62 -0.284 0.0736 0.07 -0.024 0.22908243902439 0.287209286260388 0.5617 0.8207 1001977 BPBio1_001116 CC(C)NCC(O)COc1ccccc1OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C17 compound treatment 0.219 0.564 0.56 -0.205 0.153 0.14 0.067 0.32008243902439 0.401299415390332 0.637 0.905 733 BPBio1_001117 CC1(CC2CC3(C)C1)CC(N)(C2)C3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C18 compound treatment 0.147 0.492 0.49 -0.076 0.282 0.26 0.012 0.26508243902439 0.332343842839267 0.6249 0.9668 1434439 BPBio1_001118 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C19 compound treatment -0.06 0.285 0.28 0.145 0.503 0.47 -0.151 0.10208243902439 0.127984600551564 0.5062 0.9044 2742 BPBio1_001119 OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C20 compound treatment -0.474 -0.129 -0.13 -0.16 0.198 0.18 -0.51 -0.25691756097561 -0.32210722755448 -0.1543 -0.3937 3069816 BPBio1_001120 CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C21 compound treatment -0.292 0.0531 0.05 0.101 0.459 0.42 -0.153 0.10008243902439 0.125477125186071 0.3481 0.7806 2245 BPBio1_001121 C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C22 compound treatment -0.404 -0.0589 -0.06 -0.618 -0.26 -0.24 -0.297 -0.04391756097561 -0.0550611011294457 -0.2048 -0.8059 1672 BPBio1_001122 OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C23 mock treatment -0.47 -0.125 -0.12 -0.191 0.167 0.15 -0.119 0.13408243902439 0.168104206399457 0.1144 0.4404 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 C24 mock treatment -0.171 0.174 0.17 -0.195 0.163 0.15 0.046 0.29908243902439 0.374970924052653 0.4033 0.9176 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D01 compound treatment 0.018 0.363 0.36 0.749 1.11 1.02 0.442 0.69508243902439 0.871451046420323 1.3031 0.9357 1378 BPBio1_001123 NCCc1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D02 compound treatment 0.207 0.552 0.55 -0.033 0.325 0.3 0.036 0.28908243902439 0.362433547225186 0.6997 0.9675 3614617 BPBio1_001124 CC[C@@H](NC)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D03 compound treatment 0.552 0.897 0.89 0.068 0.426 0.39 -0.09 0.16308243902439 0.204462599199109 0.8605 0.8637 864860 BPBio1_001125 CNCCc1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D04 compound treatment -0.187 0.158 0.16 0.129 0.487 0.45 -0.13 0.12308243902439 0.154313091889244 0.44 0.8772 3561549 BPBio1_001126 N[C@H](CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D05 compound treatment -0.048 0.297 0.3 0.63 0.988 0.91 0.03 0.28308243902439 0.354911121128706 0.9034 0.8819 2048 BPBio1_001127 NC1CCc2cc(O)c(O)cc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D06 compound treatment 0.415 0.76 0.76 0.191 0.549 0.51 0.038 0.29108243902439 0.364941022590679 0.9402 0.9585 1001854 BPBio1_001128 N[C@@H](CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D07 compound treatment -0.245 0.1 0.1 -0.207 0.151 0.14 -0.335 -0.08191756097561 -0.102703133073818 0.0787 0.3938 3614445 BPBio1_001129 CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D08 compound treatment 0.342 0.687 0.68 0.81 1.17 1.08 0.407 0.66008243902439 0.827570227524191 1.4964 0.9823 3560077 BPBio1_001130 N[C@H](CCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D09 compound treatment 0.06 0.405 0.4 -0.277 0.0806 0.07 0.079 0.33208243902439 0.416344267583292 0.516 0.8835 1000273 BPBio1_001131 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D10 compound treatment 0.943 1.29 1.28 1.133 1.49 1.3 0.287 0.54008243902439 0.677121705594593 1.8794 0.9664 2674 BPBio1_001132 N[C@@H](CCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D11 compound treatment 0.194 0.539 0.54 0.18 0.538 0.5 0.044 0.29708243902439 0.372463448687159 0.8119 0.9891 3614449 BPBio1_001133 CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D12 compound treatment -0.246 0.0991 0.1 -0.3 0.0576 0.05 -0.103 0.15008243902439 0.188164009323403 0.1963 0.8964 3614623 BPBio1_001134 C[C@H]1C[C@](N)(C1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D13 compound treatment -1.608 -1.26 -1.26 -1.464 -1.11 -1.02 -0.46 -0.20691756097561 -0.259420343417148 -1.4661 -0.8934 3176926 BPBio1_001135 C1CCN(CC1)C2(CCCCC2)c3cc4ccccc4s3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D14 compound treatment -0.151 0.194 0.19 0.333 0.691 0.64 0.344 0.59708243902439 0.748584753511152 0.9128 0.9098 3614626 BPBio1_001136 N[C@]1(C[C@H](C1)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D15 compound treatment 0.241 0.586 0.58 0.492 0.85 0.79 -0.062 0.19108243902439 0.239567254316015 0.9289 0.9217 3560442 BPBio1_001137 CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D16 compound treatment 0.005 0.35 0.35 -0.154 0.204 0.19 -0.258 -0.00491756097561002 -0.00616533150232663 0.3062 0.7736 3614630 BPBio1_001138 C[C@H](N)CCP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D17 compound treatment 0.118 0.463 0.46 0.782 1.14 1.06 0.276 0.52908243902439 0.66333059108438 1.258 0.9468 417 BPBio1_001139 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D18 compound treatment -0.047 0.298 0.3 0.011 0.369 0.34 0.0 0.25308243902439 0.317298990646307 0.5513 0.9983 3614635 BPBio1_001140 C[C@@H](N)CCP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D19 compound treatment 0.112 0.457 0.45 0.051 0.409 0.38 -0.253 8.24390243899797E-5 1.03356911406587E-4 0.4808 0.8132 907273 BPBio1_001141 Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D20 compound treatment -0.083 0.262 0.26 -0.03 0.328 0.3 -0.063 0.19008243902439 0.238313516633269 0.4632 0.9949 3614637 BPBio1_001142 C[C@H](N)CCCP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D21 compound treatment 0.285 0.63 0.63 -0.008 0.35 0.32 0.244 0.49708243902439 0.623210985236488 0.9084 0.9653 907341 BPBio1_001143 CCCN(CCC)C1CCc2ccc(O)cc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D22 compound treatment -1.379 -1.03 -1.03 -0.049 0.309 0.29 0.311 0.56408243902439 0.707211409980513 -0.0202 -0.0158 3614639 BPBio1_001144 CC(N)CCCP(=O)(O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D23 mock treatment -0.283 0.0621 0.06 -0.079 0.279 0.26 -0.066 0.18708243902439 0.234552303585029 0.32 0.9037 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 D24 mock treatment -0.284 0.0611 0.06 0.081 0.439 0.41 -0.257 -0.00391756097561002 -0.00491159381957999 0.2667 0.6494 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E01 compound treatment -0.226 0.119 0.12 -1.004 -0.646 -0.6 -0.495 -0.24191756097561 -0.303301162313281 -0.4523 -0.6639 1486810 BPBio1_001145 CCOC(=O)c1cc2c(cn1)[nH]c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E02 compound treatment 0.456 0.801 0.8 0.559 0.917 0.85 1.562 1.81508243902439 1.79581161859618 1.9866 0.9283 3480658 BPBio1_001146 CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E03 compound treatment -0.378 -0.0329 -0.03 -0.882 -0.524 -0.49 -0.563 -0.30991756097561 -0.388555324740052 -0.5236 -0.8407 3188027 BPBio1_001147 CCN(CC)CCOC(=O)C1(CCCC1)c2ccc(cc2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E04 compound treatment -0.06 0.285 0.28 0.214 0.572 0.53 0.25 0.50308243902439 0.630733411332968 0.8334 0.957 3188163 BPBio1_001148 CN1C(=O)CC(C1=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E05 compound treatment -0.401 -0.0559 -0.06 -0.278 0.0796 0.07 -1.171 -0.91791756097561 -1.15082783585001 -0.654 -0.5664 2098610 BPBio1_001149 C1CC1C(NC2=NCCO2)C3CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E06 compound treatment -0.344 0.00107 0.0 -0.256 0.102 0.09 -0.324 -0.07091756097561 -0.088912018563605 0.0036 0.0278 2957 BPBio1_001150 CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E07 compound treatment -0.089 0.256 0.25 -0.084 0.274 0.25 -0.163 0.09008243902439 0.112939748358604 0.3585 0.9521 3723 BPBio1_001151 CN(C)CCCSC(=N)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E08 compound treatment -0.111 0.234 0.23 -0.395 -0.0374 -0.03 -0.393 -0.13991756097561 -0.175419918673123 0.0131 0.0446 3069817 BPBio1_001152 CN(C/C=C/c1ccccc1)Cc2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E09 compound treatment -0.217 0.128 0.13 -0.425 -0.0674 -0.06 -0.205 0.04808243902439 0.0602827656832454 0.0723 0.4692 3069774 BPBio1_001153 CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E10 compound treatment -0.305 0.0401 0.04 -0.311 0.0466 0.04 -0.122 0.13108243902439 0.164342993351217 0.1428 0.8182 907413 BPBio1_001154 CCCNC(C)(C)COC(=O)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E11 compound treatment -0.579 -0.234 -0.23 -0.829 -0.471 -0.44 -0.654 -0.40091756097561 -0.502645453869997 -0.6765 -0.9593 3069775 BPBio1_001155 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E12 compound treatment -0.014 0.331 0.33 -0.127 0.231 0.21 0.241 0.49408243902439 0.619449772188248 0.6709 0.915 1666 BPBio1_001156 Cc1[nH]c(=O)c(C#N)cc1c2ccncc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E13 compound treatment -0.179 0.166 0.17 -1.047 -0.689 -0.64 -0.249 0.00408243902438998 0.00511830764239316 -0.2703 -0.4099 3616854 BPBio1_001157 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E14 compound treatment -0.299 0.0461 0.05 0.095 0.453 0.42 0.383 0.63608243902439 0.797480523138271 0.7288 0.808 4382 BPBio1_001158 CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E15 compound treatment -0.17 0.175 0.17 -0.697 -0.339 -0.31 -0.437 -0.18391756097561 -0.230584376713976 -0.2141 -0.5015 2549 BPBio1_001159 C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E16 compound treatment 0.342 0.687 0.68 0.401 0.759 0.7 0.595 0.84808243902439 1.06327291188056 1.4138 0.9778 3616870 BPBio1_001160 CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E17 compound treatment -0.243 0.102 0.1 -0.242 0.116 0.11 -0.576 -0.32291756097561 -0.404853914615759 -0.1134 -0.2631 3552120 BPBio1_001161 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E18 compound treatment 0.154 0.499 0.5 -0.091 0.267 0.25 0.116 0.36908243902439 0.462732561844918 0.6961 0.9642 3188276 BPBio1_001162 CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.OC(CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E19 compound treatment -0.06 0.285 0.28 0.049 0.407 0.38 0.06 0.31308243902439 0.392523251611106 0.6076 0.9907 3616856 BPBio1_001163 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](COC7O[C@H](CO)[C@@H](OC8O[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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E20 compound treatment 0.171 0.516 0.51 0.163 0.521 0.48 0.07 0.32308243902439 0.405060628438572 0.8084 0.9953 1778 BPBio1_001164 Nc1ccc(O)c(c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E21 compound treatment -0.333 0.0121 0.01 -0.397 -0.0394 -0.04 -0.211 0.04208243902439 0.0527603395867656 0.0163 0.2502 3559616 BPBio1_001165 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 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E22 compound treatment -0.087 0.258 0.26 -0.117 0.241 0.22 0.019 0.27208243902439 0.341120006618493 0.4737 0.9838 3047 BPBio1_001166 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E23 mock treatment -0.017 0.328 0.33 -0.57 -0.212 -0.2 -0.005 0.24808243902439 0.311030302232574 0.2543 0.5172 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 E24 mock treatment -0.142 0.203 0.2 -0.248 0.11 0.1 -0.314 -0.06091756097561 -0.0763746417361386 0.1311 0.5495 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F01 compound treatment -0.612 -0.267 -0.27 -0.136 0.222 0.21 -0.186 0.06708243902439 0.0841037816554316 0.0138 0.0399 4379 BPBio1_001167 CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F02 compound treatment 0.764 1.11 1.1 1.099 1.46 1.29 0.652 0.90508243902439 1.13473595979712 2.0352 0.9976 989 BPBio1_001168 NC(=N)NCCCCNC(=N)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F03 compound treatment -0.281 0.0641 0.06 -0.042 0.316 0.29 -0.071 0.18208243902439 0.228283615171295 0.3373 0.8964 907479 BPBio1_001169 CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F04 compound treatment 0.086 0.431 0.43 -0.057 0.301 0.28 -0.096 0.15708243902439 0.196940173102629 0.5218 0.9529 3614643 BPBio1_001170 COc1cc2CC(=O)NN=C(c3ccc(N)cc3)c2cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F05 compound treatment 0.347 0.692 0.69 0.211 0.569 0.53 -0.093 0.16008243902439 0.200701386150869 0.8171 0.9188 3188026 BPBio1_001171 CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F06 compound treatment 1.048 1.39 1.35 0.026 0.384 0.36 -0.256 -0.00291756097561002 -0.00365785613683334 0.9846 0.7035 89599 BPBio1_001172 OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F07 compound treatment -0.075 0.27 0.27 -0.251 0.107 0.1 0.297 0.55008243902439 0.68965908242206 0.6102 0.8172 907274 BPBio1_001173 CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F08 compound treatment 0.191 0.536 0.53 -0.203 0.155 0.14 0.022 0.27508243902439 0.344881219666733 0.5895 0.9058 907282 BPBio1_001174 Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F09 compound treatment -0.256 0.0891 0.09 -0.136 0.222 0.21 -0.164 0.08908243902439 0.111686010675858 0.2341 0.9369 731 BPBio1_001175 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F10 compound treatment -0.339 0.00607 0.01 -0.459 -0.101 -0.09 -0.33 -0.07691756097561 -0.0964344446600849 -0.1064 -0.7898 907275 BPBio1_001176 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F11 compound treatment -0.052 0.293 0.29 0.029 0.387 0.36 -0.188 0.06508243902439 0.0815963062899383 0.422 0.9003 907200 BPBio1_001177 CC(C)(C)[C@]1(O)CCN2C[C@@H]3c4c(cccc4CCc5ccccc35)[C@@H]2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F12 compound treatment -0.062 0.283 0.28 -0.363 -0.00539 0.0 -0.118 0.13508243902439 0.169357944082203 0.2574 0.7835 3614648 BPBio1_001178 C[C@H](N)CCC(=O)NCS(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F13 compound treatment -0.314 0.0311 0.03 -0.314 0.0436 0.04 -0.07 0.18308243902439 0.229537352854042 0.1737 0.7387 899 BPBio1_001179 CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F14 compound treatment -0.081 0.264 0.26 -0.469 -0.111 -0.1 0.059 0.31208243902439 0.391269513928359 0.3179 0.6591 3614651 BPBio1_001180 Oc1c(C(=O)C2CC2)c(=O)[nH]c3cc(Cl)ccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F15 compound treatment 0.38 0.725 0.72 0.425 0.783 0.72 0.075 0.32808243902439 0.411329316852305 1.072 0.973 436 BPBio1_001181 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F16 compound treatment 1.103 1.45 1.37 11.122 11.5 1.92 3.135 3.38808243902439 2.12657373268936 3.1256 0.9848 1020954 BPBio1_001182 NC(=N)NCCCCCCCCCCNC(=N)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F17 compound treatment -0.448 -0.103 -0.1 -0.642 -0.284 -0.26 -0.615 -0.36191756097561 -0.453749684242878 -0.4731 -0.8851 1001939 BPBio1_001183 OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F18 compound treatment -0.978 -0.633 -0.63 -0.137 0.221 0.2 -0.825 -0.57191756097561 -0.717034597619673 -0.6593 -0.6758 3614655 BPBio1_001184 OC(=O)Cc1cccnc1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F19 compound treatment -0.113 0.232 0.23 -0.019 0.339 0.31 -0.067 0.18608243902439 0.233298565902282 0.4489 0.9892 2830 BPBio1_001185 Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F20 compound treatment -0.004 0.341 0.34 -0.017 0.341 0.32 0.108 0.36108243902439 0.452702660382944 0.6392 0.9871 3614658 BPBio1_001186 CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)c3ccc(Cl)c(Cl)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F21 compound treatment -0.007 0.338 0.34 -0.129 0.229 0.21 -0.036 0.21708243902439 0.272164434067428 0.4734 0.9832 1130 BPBio1_001187 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F22 compound treatment -0.414 -0.0689 -0.07 -0.882 -0.524 -0.49 -0.753 -0.49991756097561 -0.626765484461915 -0.6818 -0.8567 3614662 BPBio1_001188 N[C@@]1(CC[C@H](C1)C(=O)O)C(=O)O.N[C@]1(CC[C@@H](C1)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F23 mock treatment -0.32 0.0251 0.02 -0.331 0.0266 0.02 -0.134 0.11908243902439 0.149298141158257 0.1148 0.7487 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 F24 mock treatment -0.114 0.231 0.23 0.297 0.655 0.61 0.098 0.35108243902439 0.440165283555478 0.7367 0.9402 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G01 compound treatment -0.186 0.159 0.16 0.33 0.688 0.64 0.808 1.06108243902439 1.33031903830559 1.227 0.8272 1471 BPBio1_001189 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G02 compound treatment 0.114 0.459 0.46 0.163 0.521 0.48 0.326 0.57908243902439 0.726017475221713 0.961 0.9768 3183 BPBio1_001190 CCOC(=O)c1ncn-2c1CN(C)C(=O)c3cc(F)ccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G03 compound treatment -0.087 0.258 0.26 0.203 0.561 0.52 0.309 0.56208243902439 0.704703934615019 0.8547 0.9371 1327636 BPBio1_001191 COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G04 compound treatment 0.012 0.357 0.35 -0.498 -0.14 -0.13 -0.546 -0.29291756097561 -0.36724178413336 -0.0821 -0.1558 3069853 BPBio1_001192 OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G05 compound treatment -0.047 0.298 0.3 -0.061 0.297 0.27 0.136 0.38908243902439 0.48780731549985 0.6113 0.9651 3069778 BPBio1_001193 CN1CCC(=C2c3ccsc3CCc4ccccc24)CC1.OC(CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G06 compound treatment 0.47 0.815 0.81 -0.21 0.148 0.14 0.047 0.30008243902439 0.376224661735399 0.764 0.8453 1503 BPBio1_001194 Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G07 compound treatment 0.053 0.398 0.4 0.021 0.379 0.35 -0.091 0.16208243902439 0.203208861516363 0.5482 0.9679 1380 BPBio1_001195 NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G08 compound treatment -0.447 -0.102 -0.1 -0.438 -0.0804 -0.07 -0.547 -0.29391756097561 -0.368495521816106 -0.3142 -0.8071 834 BPBio1_001196 CC(C[N+](C)(C)C)OC(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G09 compound treatment -0.322 0.0231 0.02 -0.063 0.295 0.27 -0.178 0.07508243902439 0.0941336831174048 0.2251 0.7775 1057366 BPBio1_001197 NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G10 compound treatment 0.472 0.817 0.81 0.057 0.415 0.38 -0.449 -0.19591756097561 -0.245629228906935 0.5488 0.5892 3188277 BPBio1_001198 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@@]21C)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G11 compound treatment -1.417 -1.07 -1.07 -1.589 -1.23 -1.14 -0.93 -0.67691756097561 -0.84867705430807 -1.7636 -0.9927 3177109 BPBio1_001199 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G12 compound treatment -0.691 -0.346 -0.34 -0.379 -0.0214 -0.02 -0.275 -0.02191756097561 -0.0274788721090196 -0.2259 -0.6536 3002368 BPBio1_001200 CC(C)NC[C@H](O)COc1cccc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G13 compound treatment -0.368 -0.0229 -0.02 0.333 0.691 0.64 -0.205 0.04808243902439 0.0602827656832454 0.3908 0.6081 3069779 BPBio1_001201 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G14 compound treatment 0.313 0.658 0.65 0.53 0.888 0.82 0.534 0.78708243902439 0.986794913233014 1.422 0.9866 3903 BPBio1_001202 CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G15 compound treatment -0.062 0.283 0.28 0.316 0.674 0.62 -0.027 0.22608243902439 0.283448073212148 0.6862 0.9265 1000221 BPBio1_001203 CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)SCF 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G16 compound treatment 0.071 0.416 0.41 -0.113 0.245 0.23 1.133 1.38608243902439 1.63375059334825 1.3128 0.772 1029881 BPBio1_001204 CN1C2CCC1CC(O)C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G17 compound treatment -0.308 0.0371 0.04 -0.216 0.142 0.13 0.028 0.28108243902439 0.352403645763213 0.3004 0.7952 3069780 BPBio1_001205 OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(Cl)cc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G18 compound treatment -0.227 0.118 0.12 -0.09 0.268 0.25 0.252 0.50508243902439 0.633240886698461 0.5764 0.8353 954 BPBio1_001206 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G19 compound treatment 0.061 0.406 0.4 0.164 0.522 0.48 0.038 0.29108243902439 0.364941022590679 0.7226 0.9931 4480 BPBio1_001207 CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G20 compound treatment 3.378 3.72 1.76 3.31 3.67 1.63 1.652 1.90508243902439 1.82384739230684 3.0101 0.999 1295 BPBio1_001208 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G21 compound treatment 0.204 0.549 0.55 0.462 0.82 0.76 -0.019 0.23408243902439 0.293477974674121 0.9228 0.9418 3188032 BPBio1_001209 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC(CCCCN)C(=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G22 compound treatment -0.368 -0.0229 -0.02 -0.104 0.254 0.23 -0.17 0.08308243902439 0.104163584579378 0.1826 0.7078 3188278 BPBio1_001210 COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G23 mock treatment -0.522 -0.177 -0.18 -0.538 -0.18 -0.17 -0.302 -0.04891756097561 -0.0613297895431789 -0.2334 -0.9328 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 G24 mock treatment -0.056 0.289 0.29 -0.166 0.192 0.18 -0.185 0.06808243902439 0.0853575193381783 0.3176 0.9118 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H01 compound treatment -1.28 -0.935 -0.93 -0.794 -0.436 -0.4 -0.572 -0.31891756097561 -0.399838963884772 -1.0008 -0.9185 1069 BPBio1_001211 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H02 compound treatment 0.274 0.619 0.62 -0.026 0.332 0.31 -0.157 0.09608243902439 0.120462174455084 0.6022 0.8624 3060333 BPBio1_001212 N[C@@H](CS(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H03 compound treatment 0.014 0.359 0.36 0.154 0.512 0.47 0.079 0.33208243902439 0.416344267583292 0.72 0.9935 3061673 BPBio1_001213 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H04 compound treatment 0.112 0.457 0.45 0.366 0.724 0.67 0.204 0.45708243902439 0.573061477926622 0.98 0.9881 3614667 BPBio1_001214 NC(C(=O)O)c1nnn[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H05 compound treatment 0.335 0.68 0.68 0.272 0.63 0.58 -0.044 0.20908243902439 0.262134532605455 0.8783 0.9439 907487 BPBio1_001215 CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(Cl)c2OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H06 compound treatment 0.435 0.78 0.78 -0.057 0.301 0.28 -0.131 0.12208243902439 0.153059354206497 0.6968 0.8315 3614670 BPBio1_001216 OC(=O)[C@@H]1C[C@H]2C[C@@H](CP(=O)(O)O)CC[C@H]2CN1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H07 compound treatment 0.059 0.404 0.4 0.099 0.457 0.42 -0.097 0.15608243902439 0.195686435419883 0.589 0.9575 1795 BPBio1_001217 Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H08 compound treatment 1.818 2.16 1.55 1.125 1.48 1.3 0.797 1.05008243902439 1.31652792379538 2.4027 0.9966 3614675 BPBio1_001218 N[C@@H](Cc1cc(CP(=O)(O)O)cc(c1)c2ccccc2Cl)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H09 compound treatment 0.049 0.394 0.39 0.141 0.499 0.46 0.006 0.25908243902439 0.324821416742787 0.6803 0.99 3614469 BPBio1_001219 Oc1cc2[C@H](CNCCc2c(Cl)c1O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H10 compound treatment 0.469 0.814 0.81 0.855 1.21 1.12 0.221 0.47408243902439 0.594375018533315 1.4587 0.9684 1923 BPBio1_001220 NC1(CC1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H11 compound treatment -0.056 0.289 0.29 0.219 0.577 0.53 0.188 0.44108243902439 0.553001675002676 0.7934 0.9669 1002005 BPBio1_001221 CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H12 compound treatment -0.102 0.243 0.24 0.088 0.446 0.41 0.117 0.37008243902439 0.463986299527664 0.6456 0.969 4295 BPBio1_001222 NCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H13 compound treatment 0.372 0.717 0.71 0.405 0.763 0.71 0.098 0.35108243902439 0.440165283555478 1.0734 0.9796 2351 BPBio1_001223 CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H14 compound treatment 1.52 1.87 1.49 3.873 4.23 1.68 2.099 2.35208243902439 1.94155592183781 2.948 0.994 3614679 BPBio1_001224 N[C@@H]1CCN(O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H15 compound treatment 0.414 0.759 0.75 0.55 0.908 0.84 0.35 0.60308243902439 0.756107179607632 1.3574 0.9987 3614470 BPBio1_001225 CN1Cc2ccccc2[C@H]3[C@H]1Cc4c[nH]c5cccc3c45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H16 compound treatment 0.13 0.475 0.47 0.073 0.431 0.4 0.05 0.30308243902439 0.379985874783639 0.7223 0.9955 1000790 BPBio1_001226 N[C@H](CO)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H17 compound treatment 0.111 0.456 0.45 0.17 0.528 0.49 -0.011 0.24208243902439 0.303507876136094 0.7191 0.9818 3177000 BPBio1_001227 Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H18 compound treatment 1.36 1.71 1.45 0.608 0.966 0.89 1.001 1.25408243902439 1.57153608883457 2.2588 0.9755 1044852 BPBio1_001228 OC(=O)c1cc2cc(Cl)ccc2[nH]1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H19 compound treatment -0.108 0.237 0.24 -0.139 0.219 0.2 -0.159 0.09408243902439 0.117954699089591 0.321 0.9661 907272 BPBio1_001229 Oc1cc2CCNCC(c3ccccc3)c2cc1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H20 compound treatment -0.094 0.251 0.25 -0.112 0.246 0.23 -0.068 0.18508243902439 0.232044828219535 0.4094 0.9992 873168 BPBio1_001230 OC(=O)c1cc(O)c2ccc(Cl)cc2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H21 compound treatment 0.143 0.488 0.49 0.344 0.702 0.65 0.446 0.69908243902439 0.876465997151309 1.1612 0.9726 1261 BPBio1_001231 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H22 compound treatment -0.156 0.189 0.19 0.013 0.371 0.34 -0.139 0.11408243902439 0.143029452744524 0.3892 0.9343 907227 BPBio1_001232 [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H23 mock treatment -0.352 -0.00693 -0.01 -0.094 0.264 0.24 0.003 0.25608243902439 0.321060203694547 0.3223 0.799 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 H24 mock treatment -0.356 -0.0109 -0.01 -0.161 0.197 0.18 -0.117 0.13608243902439 0.17061168176495 0.1973 0.7902 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I01 compound treatment -0.516 -0.171 -0.17 -1.024 -0.666 -0.62 -0.446 -0.19291756097561 -0.241868015858695 -0.594 -0.8682 3614725 BPBio1_001233 CN(C)C(=O)OC1=C(Sc2ccccc2-n3cccc13)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I02 compound treatment -0.301 0.0441 0.04 -0.343 0.0146 0.01 -0.332 -0.07891756097561 -0.0989419200255782 -0.024 -0.2203 1236 BPBio1_001234 OCc1cc2c(cn1)[nH]c3ccccc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I03 compound treatment 0.133 0.478 0.48 -0.309 0.0486 0.05 0.02 0.27308243902439 0.34237374430124 0.4981 0.8478 3069781 BPBio1_001235 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I04 compound treatment -0.294 0.0511 0.05 -0.65 -0.292 -0.27 -0.556 -0.30291756097561 -0.379779160960826 -0.3463 -0.7381 3002368 BPBio1_001236 CC(C)NC[C@H](O)COc1cccc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I05 compound treatment 0.109 0.454 0.45 -0.186 0.172 0.16 0.0 0.25308243902439 0.317298990646307 0.5356 0.9327 3177333 BPBio1_001237 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I06 compound treatment 0.088 0.433 0.43 0.044 0.402 0.37 -0.025 0.22808243902439 0.285955548577641 0.6284 0.9869 3616871 BPBio1_001238 CN1CC[C@]2(C)[C@@H]1N(C)c3ccc(O)cc32 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I07 compound treatment 0.343 0.688 0.68 -0.211 0.147 0.14 -0.472 -0.21891756097561 -0.274465195610108 0.3149 0.4201 1053328 BPBio1_001239 CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I08 compound treatment 0.048 0.393 0.39 0.271 0.629 0.58 0.154 0.40708243902439 0.51037459378929 0.8563 0.9875 3616872 BPBio1_001240 CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC(=O)C)[C@@H]4[C@](O)(C[C@@H]5OC)[C@H]6C[C@@H]32)C61 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I09 compound treatment -0.161 0.184 0.18 0.015 0.373 0.35 -0.068 0.18508243902439 0.232044828219535 0.4388 0.966 3188033 BPBio1_001241 CCC1(CCCCN(C)C1)c2cccc(O)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I10 compound treatment -0.471 -0.126 -0.13 -0.4 -0.0424 -0.04 -0.181 0.07208243902439 0.0903724700691648 -0.0428 -0.2684 2060476 BPBio1_001242 C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I11 compound treatment 0.351 0.696 0.69 0.376 0.734 0.68 0.37 0.62308243902439 0.781181933262565 1.2427 0.998 3616858 BPBio1_001243 CN[C@H]1[C@@H](O)C2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2OC1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I12 compound treatment -0.626 -0.281 -0.28 -0.351 0.00661 0.01 -0.084 0.16908243902439 0.211985025295589 -0.0353 -0.1007 1336284 BPBio1_001244 COc1c2CC(Oc2nc3ccccc13)C(C)(O)CO 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I13 compound treatment -0.14 0.205 0.2 -0.467 -0.109 -0.1 -0.334 -0.08091756097561 -0.101449395391071 7.0E-4 0.0026 3069782 BPBio1_001245 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC5SC5C[C@@]43C)[C@@H]2CC[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I14 compound treatment -0.32 0.0251 0.02 -0.077 0.281 0.26 -0.207 0.04608243902439 0.0577752903177522 0.1978 0.7397 3176921 BPBio1_001246 N[C@H]1CONC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I15 compound treatment -0.006 0.339 0.34 -0.315 0.0426 0.04 -0.073 0.18008243902439 0.225776139805802 0.3477 0.8531 3188035 BPBio1_001247 C/C(=C(/CCO)\SSCC1CCCO1)/N(Cc2cnc(C)nc2N)C=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I16 compound treatment -0.232 0.113 0.11 -0.229 0.129 0.12 -0.091 0.16208243902439 0.203208861516363 0.251 0.9617 3069855 BPBio1_001248 Clc1cnccn1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I17 compound treatment 0.081 0.426 0.42 0.222 0.58 0.54 0.199 0.45208243902439 0.566792789512889 0.8816 0.9927 2080 BPBio1_001249 CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I18 compound treatment 1.209 1.55 1.4 1.209 1.57 1.32 0.917 1.17008243902439 1.46697644572498 2.4193 0.9991 1076620 BPBio1_001250 CNCC(O)c1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I19 compound treatment -1.046 -0.701 -0.7 -0.315 0.0426 0.04 -0.454 -0.20091756097561 -0.251897917320669 -0.525 -0.7075 3188145 BPBio1_001251 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I20 compound treatment -0.385 -0.0399 -0.04 -0.45 -0.0924 -0.09 -0.176 0.07708243902439 0.0966411584828981 -0.0165 -0.1223 760 BPBio1_001252 N[C@@H]1CONC1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I21 compound treatment -0.564 -0.219 -0.22 -0.831 -0.473 -0.44 -0.432 -0.17891756097561 -0.224315688300242 -0.5082 -0.9441 3188146 BPBio1_001253 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I22 compound treatment -0.456 -0.111 -0.11 -0.343 0.0146 0.01 -0.09 0.16308243902439 0.204462599199109 0.0622 0.2672 1076027 BPBio1_001254 CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I23 mock treatment 0.054 0.399 0.4 0.175 0.533 0.49 0.108 0.36108243902439 0.452702660382944 0.7752 0.9961 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 I24 mock treatment -0.401 -0.0559 -0.06 -0.322 0.0356 0.03 -0.034 0.21908243902439 0.274671909432921 0.1455 0.5157 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J01 compound treatment 0.393 0.738 0.73 0.779 1.14 1.05 0.291 0.54408243902439 0.68213665632558 1.4251 0.9808 920 BPBio1_001255 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J02 compound treatment 0.164 0.509 0.51 -0.256 0.102 0.09 -0.041 0.21208243902439 0.265895745653695 0.5 0.863 3614683 BPBio1_001256 OC(=O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J03 compound treatment 0.006 0.351 0.35 -0.052 0.306 0.28 0.115 0.36808243902439 0.461478824162171 0.6313 0.9802 2955 BPBio1_001257 Nc1nc2CCN(CC=C)CCc2s1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J04 compound treatment 0.189 0.534 0.53 0.926 1.28 1.19 0.094 0.34708243902439 0.435150332824491 1.244 0.9063 3694 BPBio1_001258 NC(=O)OCC(COC(=O)N)c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J05 compound treatment -0.038 0.307 0.31 -0.35 0.00761 0.01 -0.087 0.16608243902439 0.208223812247349 0.3005 0.8132 3614475 BPBio1_001259 Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J06 compound treatment 1.28 1.63 1.43 1.179 1.54 1.31 4.069 4.32208243902439 2.23597949430072 2.8704 0.9705 3614684 BPBio1_001260 N[C@H]1CCN(O)C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J07 compound treatment 0.021 0.366 0.36 0.034 0.392 0.36 -0.061 0.19208243902439 0.240820991998762 0.5585 0.9844 3614476 BPBio1_001261 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CN(Cc4cccc(F)c4)C3=O)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J08 compound treatment -0.247 0.0981 0.1 -0.423 -0.0654 -0.06 -0.16 0.09308243902439 0.116700961406844 0.0887 0.542 3614685 BPBio1_001262 OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c3c(Cl)cc(Cl)cc3N1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J09 compound treatment -0.419 -0.0739 -0.07 -0.177 0.181 0.17 -0.085 0.16808243902439 0.210731287612842 0.1758 0.6303 3614477 BPBio1_001263 COc1ccccc1N2CCN(CCCCNC(=O)c3ccc(cc3)c4ccc(cc4)C(=O)C)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J10 compound treatment -0.12 0.225 0.22 -0.22 0.138 0.13 0.095 0.34808243902439 0.436404070507238 0.4547 0.8974 3614687 BPBio1_001264 Oc1c(c2cccc(Oc3ccccc3)c2)c(=O)[nH]c4cc(Cl)ccc14 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J11 compound treatment -0.515 -0.17 -0.17 -0.361 -0.00339 0.0 -0.095 0.15808243902439 0.198193910785376 0.0151 0.0579 2405 BPBio1_001265 Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J12 compound treatment -0.52 -0.175 -0.17 -0.522 -0.164 -0.15 -0.222 0.03108243902439 0.0389692250765525 -0.1658 -0.7074 1357939 BPBio1_001266 OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J13 compound treatment 0.28 0.625 0.62 0.116 0.474 0.44 0.456 0.70908243902439 0.889003373978776 1.1252 0.9618 907466 BPBio1_001267 CCCN1CCO[C@H]2[C@H]1COc3ccc(O)cc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J14 compound treatment 0.819 1.16 1.16 -0.076 0.282 0.26 0.048 0.30108243902439 0.377478399418146 1.0366 0.8327 3614689 BPBio1_001268 [O-][N+](=O)c1cc([N+](=O)[O-])c2[nH]c(=O)c(=O)[nH]c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J15 compound treatment -0.361 -0.0159 -0.02 -0.738 -0.38 -0.35 -0.467 -0.21391756097561 -0.268196507196375 -0.3673 -0.8292 2245 BPBio1_001269 C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J16 compound treatment 0.163 0.508 0.51 -0.499 -0.141 -0.13 -0.236 0.01708243902439 0.0214168975180995 0.2284 0.4374 733 BPBio1_001270 CC1(CC2CC3(C)C1)CC(N)(C2)C3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J17 compound treatment 0.092 0.437 0.43 -0.258 0.0996 0.09 -0.015 0.23808243902439 0.298492925405107 0.4765 0.8903 3614480 BPBio1_001271 CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J18 compound treatment -0.034 0.311 0.31 -0.057 0.301 0.28 -0.344 -0.09091756097561 -0.113986772218538 0.2734 0.6338 907387 BPBio1_001272 C[C@@]1(N[C@@H]2Cc3ccccc31)c4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J19 compound treatment 0.193 0.538 0.53 0.119 0.477 0.44 0.144 0.39708243902439 0.497837216961824 0.8511 0.9969 3614482 BPBio1_001273 CN1CCN(CC1)C2=Cc3ccccc3Oc4ccc(Cl)cc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J20 compound treatment -0.135 0.21 0.21 0.06 0.418 0.39 0.019 0.27208243902439 0.341120006618493 0.5408 0.972 3614694 BPBio1_001274 NCCCCCCCCCCNCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J21 compound treatment -0.414 -0.0689 -0.07 -0.391 -0.0334 -0.03 -0.221 0.03208243902439 0.0402229627592991 -0.0342 -0.401 3614484 BPBio1_001275 Cc1c(noc1C2CCN(CCc3ccccc3)CC2)c4ccc(Cl)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J22 compound treatment -0.85 -0.505 -0.5 -0.217 0.141 0.13 -0.697 -0.44391756097561 -0.556556174228103 -0.536 -0.7046 1586 BPBio1_001276 NCCCCNCCCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J23 mock treatment -0.372 -0.0269 -0.03 -0.445 -0.0874 -0.08 -0.25 0.00308243902438998 0.00386456995964652 -0.0599 -0.7026 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 J24 mock treatment -0.409 -0.0639 -0.06 -0.086 0.272 0.25 -0.091 0.16208243902439 0.203208861516363 0.2258 0.6853 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K01 compound treatment -0.434 -0.0889 -0.09 -0.359 -0.00139 0.0 -0.226 0.02708243902439 0.0339542743455659 -0.0322 -0.3398 3177059 BPBio1_001277 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)c3ccc(F)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K02 compound treatment 0.547 0.892 0.89 -0.087 0.271 0.25 0.074 0.32708243902439 0.410075579169559 0.8935 0.8857 907215 BPBio1_001278 CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K03 compound treatment -0.039 0.306 0.3 -0.227 0.131 0.12 -0.074 0.17908243902439 0.224522402123056 0.3751 0.9449 3188147 BPBio1_001279 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)C(N3C2=O)C(=O)O)c4c(F)cccc4Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K04 compound treatment -0.311 0.0341 0.03 -0.608 -0.25 -0.23 -0.404 -0.15091756097561 -0.189211033183336 -0.2235 -0.7423 3616874 BPBio1_001280 CC(=O)N[C@@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K05 compound treatment 0.752 1.1 1.09 0.273 0.631 0.58 0.416 0.66908243902439 0.83885386666891 1.4511 0.9708 2920 BPBio1_001281 CCN(CC)c1cc(C)nc2ncnn12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K06 compound treatment 1.174 1.52 1.39 -0.223 0.135 0.12 -0.107 0.14608243902439 0.183149058592416 0.9826 0.6961 3616879 BPBio1_001282 Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4COP(=O)(O)OC4C3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K07 compound treatment -0.364 -0.0189 -0.02 -0.432 -0.0744 -0.07 -0.229 0.02408243902439 0.030193061297326 -0.0332 -0.4283 3616859 BPBio1_001283 CN(C)[C@@H]1CCCCC(C1)OC2c3ccccc3CCc4ccccc24 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K08 compound treatment 0.2 0.545 0.54 -0.117 0.241 0.22 0.112 0.36508243902439 0.457717611113931 0.7058 0.9492 907479 BPBio1_001284 CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K09 compound treatment 0.138 0.483 0.48 -0.425 -0.0674 -0.06 -0.282 -0.02891756097561 -0.036255035888246 0.2203 0.4537 3078457 BPBio1_001285 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K10 compound treatment -0.09 0.255 0.25 0.307 0.665 0.62 -0.448 -0.19491756097561 -0.244375491224189 0.3606 0.5086 3188280 BPBio1_001286 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K11 compound treatment -0.453 -0.108 -0.11 -0.32 0.0376 0.03 -0.189 0.06408243902439 0.0803425686071917 0.0045 0.0328 1022844 BPBio1_001287 Oc1ccc(O)c(c1)S(=O)(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K12 compound treatment -0.022 0.323 0.32 0.149 0.507 0.47 -0.132 0.12108243902439 0.15180561652375 0.5439 0.9243 1221 BPBio1_001288 CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K13 compound treatment 0.058 0.403 0.4 -0.032 0.326 0.3 0.385 0.63808243902439 0.799987998503764 0.8673 0.9186 1779 BPBio1_001289 COc1nc(C)nc(Cl)c1NC2=NCCN2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K14 compound treatment -0.545 -0.2 -0.2 -0.099 0.259 0.24 0.092 0.34508243902439 0.432642857458998 0.2733 0.5128 3188281 BPBio1_001290 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2C[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K15 compound treatment -0.173 0.172 0.17 -0.601 -0.243 -0.23 -0.237 0.01608243902439 0.0201631598353529 -0.0197 -0.0695 1326779 BPBio1_001291 CCNCC(O)c1cccc(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K16 compound treatment 0.124 0.469 0.47 0.304 0.662 0.61 0.022 0.27508243902439 0.344881219666733 0.822 0.9744 1000336 BPBio1_001292 CC(C)NC[C@H](O)c1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K17 compound treatment -0.003 0.342 0.34 0.613 0.971 0.9 0.16 0.41308243902439 0.51789701988577 1.0142 0.9291 220 BPBio1_001293 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K18 compound treatment 0.075 0.42 0.42 -0.336 0.0216 0.02 0.118 0.37108243902439 0.465240037210411 0.5213 0.8334 2121 BPBio1_001294 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K19 compound treatment 0.008 0.353 0.35 -0.366 -0.00839 -0.01 -0.17 0.08308243902439 0.104163584579378 0.2583 0.7053 3616862 BPBio1_001295 CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K20 compound treatment -0.319 0.0261 0.03 -0.255 0.103 0.1 -0.204 0.04908243902439 0.0615365033659921 0.1053 0.9071 865102 BPBio1_001296 O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K21 compound treatment -0.425 -0.0799 -0.08 0.187 0.545 0.5 -0.086 0.16708243902439 0.209477549930096 0.3662 0.6636 3188150 BPBio1_001297 CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K22 compound treatment 0.17 0.515 0.51 0.426 0.784 0.73 0.026 0.27908243902439 0.34989617039772 0.9166 0.9602 3616885 BPBio1_001298 CC(=CCC/C(=C/CC1=C(C)C(=O)c2ccccc2C1=O)/C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K23 mock treatment -0.622 -0.277 -0.28 -0.429 -0.0714 -0.07 -0.621 -0.36791756097561 -0.461272110339358 -0.4634 -0.8562 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 K24 mock treatment -0.511 -0.166 -0.16 -0.377 -0.0194 -0.02 -0.246 0.00708243902438999 0.00887952069063309 -0.1005 -0.6047 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L01 compound treatment 0.421 0.766 0.76 -0.588 -0.23 -0.21 0.069 0.32208243902439 0.403806890755825 0.5497 0.619 3544 BPBio1_001299 Clc1ccc(cc1)N2CCN(Cc3c[nH]c4ncccc34)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L02 compound treatment 0.008 0.353 0.35 0.182 0.54 0.5 0.033 0.28608243902439 0.358672334176946 0.6982 0.9859 1001868 BPBio1_001300 OC(=O)[C@H]1C[C@H](N1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L03 compound treatment 0.195 0.54 0.54 0.005 0.363 0.34 -0.072 0.18108243902439 0.227029877488549 0.6349 0.9438 3061599 BPBio1_001301 Cc1cccc(c1)C(=O)NCN2CCN(CC2)c3ccccc3C#N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L04 compound treatment 0.017 0.362 0.36 0.291 0.649 0.6 0.069 0.32208243902439 0.403806890755825 0.7877 0.9745 3614696 BPBio1_001302 Cc1onc(O)c1C[C@@H](N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L05 compound treatment -0.941 -0.596 -0.59 -2.268 -1.91 -1.77 -0.831 -0.57791756097561 -0.724557023716153 -1.7817 -0.8903 3614551 BPBio1_001303 CCCN(C/C=C/I)C1CCc2cccc(O)c2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L06 compound treatment -0.024 0.321 0.32 0.13 0.488 0.45 0.003 0.25608243902439 0.321060203694547 0.6303 0.9858 832310 BPBio1_001304 Cc1onc(O)c1C[C@H](N)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L07 compound treatment -0.787 -0.442 -0.44 -0.529 -0.171 -0.16 -0.498 -0.24491756097561 -0.307062375361521 -0.5226 -0.9348 3614489 BPBio1_001305 C1CCN(C1)C2(CCCCC2)c3cc4ccccc4s3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L08 compound treatment 1.291 1.64 1.43 0.667 1.02 0.95 0.467 0.72008243902439 0.902794488488989 1.8935 0.9772 2122 BPBio1_001306 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L09 compound treatment 0.172 0.517 0.51 -0.027 0.331 0.31 0.077 0.33008243902439 0.413836792217799 0.7125 0.9794 3614491 BPBio1_001307 C(NC1(CCCCC1)c2cc3ccccc3s2)C4CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L10 compound treatment -0.076 0.269 0.27 -0.003 0.355 0.33 -0.01 0.24308243902439 0.304761613818841 0.52 0.9965 2310 BPBio1_001308 C[C@H](C[C@H](N)C(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L11 compound treatment 0.349 0.694 0.69 0.041 0.399 0.37 0.135 0.38808243902439 0.486553577817104 0.8924 0.9685 3177054 BPBio1_001309 CN1C2CCC1CC(C2)OC(c3ccc(F)cc3)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L12 compound treatment -0.38 -0.0349 -0.03 -0.135 0.223 0.21 0.024 0.27708243902439 0.347388695032227 0.2995 0.7388 1111508 BPBio1_001310 OC(=O)c1cc(O)c2cc(Cl)ccc2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L13 compound treatment 0.265 0.61 0.61 0.644 1.0 0.93 0.377 0.63008243902439 0.789958097041791 1.3417 0.9859 907242 BPBio1_001311 CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccc(Cl)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L14 compound treatment -0.181 0.164 0.16 0.231 0.589 0.55 -0.013 0.24008243902439 0.301000400770601 0.5826 0.9052 2191 BPBio1_001312 NS(=O)(=O)c1cccc2c3[nH]c(=O)c(=O)[nH]c3cc([N+](=O)[O-])c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L15 compound treatment 0.015 0.36 0.36 -0.221 0.137 0.13 0.06 0.31308243902439 0.392523251611106 0.5063 0.9272 3614496 BPBio1_001313 C(CN1CCN(C/C=C/c2ccccc2)CC1)OC(c3ccccc3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L16 compound treatment -1.288 -0.943 -0.94 -0.931 -0.573 -0.53 -1.39 -1.13691756097561 -1.42539638837153 -1.6707 -0.9351 3614699 BPBio1_001314 CCCNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L17 compound treatment 0.281 0.626 0.62 -0.341 0.0166 0.02 0.34 0.59308243902439 0.743569802780166 0.7975 0.8224 3393 BPBio1_001315 C(CN1CCN(CCOC(c2ccccc2)c3ccccc3)CC1)Cc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L18 compound treatment 0.721 1.07 1.06 0.623 0.981 0.91 0.095 0.34808243902439 0.436404070507238 1.3881 0.9493 1031 BPBio1_001316 COc1ccc(cc1)C(=O)N2CCCC2=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L19 compound treatment -0.601 -0.256 -0.25 -0.491 -0.133 -0.12 -0.406 -0.15291756097561 -0.19171850854883 -0.3289 -0.9626 3614500 BPBio1_001317 Fc1ccc(cc1)C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L20 compound treatment -0.011 0.334 0.33 0.077 0.435 0.4 0.311 0.56408243902439 0.707211409980513 0.8324 0.9471 68561 BPBio1_001318 O=C(N1CCCCC1)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L21 compound treatment -0.641 -0.296 -0.29 -0.54 -0.182 -0.17 -0.62 -0.36691756097561 -0.460018372656611 -0.533 -0.9324 3614504 BPBio1_001319 C1NCc2ccccc2C1c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L22 compound treatment -0.406 -0.0609 -0.06 0.169 0.527 0.49 0.043 0.29608243902439 0.371209711004413 0.4609 0.7484 1488 BPBio1_001320 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L23 mock treatment -0.598 -0.253 -0.25 -0.103 0.255 0.24 -0.282 -0.02891756097561 -0.036255035888246 -0.03 -0.0866 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 L24 mock treatment -0.347 -0.00193 0.0 -0.079 0.279 0.26 -0.132 0.12108243902439 0.15180561652375 0.2355 0.7867 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M01 compound treatment 0.049 0.394 0.39 0.285 0.643 0.6 -0.027 0.22608243902439 0.283448073212148 0.7334 0.9565 3614726 BPBio1_001321 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)c3ccc(Cl)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M02 compound treatment -0.101 0.244 0.24 0.89 1.25 1.16 0.237 0.49008243902439 0.614434821457261 1.1618 0.873 735 BPBio1_001322 NNC(=O)c1ccncc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M03 compound treatment -0.296 0.0491 0.05 -1.165 -0.807 -0.75 -0.877 -0.62391756097561 -0.782228957122498 -0.8551 -0.7895 3480040 BPBio1_001323 COC(=O)C1=C(C)NC(=C(C1c2cccc3nonc23)C(=O)OC(C)C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M04 compound treatment 0.045 0.39 0.39 -0.039 0.319 0.3 -0.096 0.15708243902439 0.196940173102629 0.5079 0.9665 2929 BPBio1_001324 CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(=CC[C@H]2N)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M05 compound treatment 0.422 0.767 0.76 -0.173 0.185 0.17 -0.21 0.04308243902439 0.0540140772695122 0.5702 0.7278 1077199 BPBio1_001325 CCNC1(CCCCC1=O)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M06 compound treatment -0.075 0.27 0.27 0.029 0.387 0.36 -0.077 0.17608243902439 0.220761189074816 0.4891 0.9803 3173761 BPBio1_001326 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M07 compound treatment -0.404 -0.0589 -0.06 -0.026 0.332 0.31 -0.275 -0.02191756097561 -0.0274788721090196 0.1276 0.4066 3069807 BPBio1_001327 CNC(C)CCC=C(C)C.OC(C(O)C(O)C(=O)O)C(O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M08 compound treatment -0.907 -0.562 -0.56 -0.549 -0.191 -0.18 -0.519 -0.26591756097561 -0.3333908666992 -0.6173 -0.9156 3616891 BPBio1_001328 O[C@H]1C[C@](O)(C[C@H](O)[C@@H]1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M09 compound treatment 0.041 0.386 0.38 0.532 0.89 0.82 0.104 0.35708243902439 0.447687709651958 0.9556 0.9433 3188151 BPBio1_001329 CC1CS(=O)(=O)CCN1/N=C/c2ccc(o2)[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M10 compound treatment 4.057 4.4 1.81 5.153 5.51 1.75 2.485 2.73808243902439 2.02160731221893 3.2235 0.9981 3616894 BPBio1_001330 C[C@H]1O[C@@H](O[C@@H]/2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C[C@H]4OC4\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M11 compound treatment -0.394 -0.0489 -0.05 -0.211 0.147 0.14 -0.036 0.21708243902439 0.272164434067428 0.2074 0.6734 1698 BPBio1_001331 N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M12 compound treatment 0.078 0.423 0.42 0.54 0.898 0.83 0.427 0.68008243902439 0.852644981179123 1.215 0.9621 3616896 BPBio1_001332 COC(=O)C1C(=CC=C2c3cc4[nH]c(cc5nc(cc6[nH]c(cc(n3)[C@]12C)c(C)c6CCC(=O)O)c(CCC(=O)O)c5C)c(C=C)c4C)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M13 compound treatment 0.027 0.372 0.37 0.053 0.411 0.38 -0.14 0.11308243902439 0.141775715061777 0.5149 0.9378 3174242 BPBio1_001333 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M14 compound treatment -0.06 0.285 0.28 0.186 0.544 0.5 0.075 0.32808243902439 0.411329316852305 0.6917 0.9754 1000348 BPBio1_001334 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)N(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M15 compound treatment -0.401 -0.0559 -0.06 -1.175 -0.817 -0.76 -1.001 -0.74791756097561 -0.937692429783082 -1.0105 -0.8376 3188152 BPBio1_001335 CC(N)C(=O)Nc1c(C)cccc1C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M16 compound treatment -0.481 -0.136 -0.14 -0.179 0.179 0.17 0.195 0.44808243902439 0.561777838781902 0.3418 0.5687 3069861 BPBio1_001336 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2C(C[C@@H]3CCC[C@@H]32)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M17 compound treatment 0.346 0.691 0.69 -0.566 -0.208 -0.19 -0.792 -0.53891756097561 -0.675661254089034 -0.1048 -0.1067 3188153 BPBio1_001337 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.C(CNCc1ccccc1)NCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M18 compound treatment -0.033 0.312 0.31 0.128 0.486 0.45 -0.009 0.24408243902439 0.306015351501587 0.6154 0.9828 1517 BPBio1_001338 CCC1(NC(=O)N(C)C1=O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M19 compound treatment 0.362 0.707 0.7 0.589 0.947 0.88 0.07 0.32308243902439 0.405060628438572 1.1458 0.9593 1795 BPBio1_001339 Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M20 compound treatment 1.216 1.56 1.41 0.672 1.03 0.95 0.511 0.76408243902439 0.957958946529841 1.9157 0.982 3616904 BPBio1_001340 CCC(C)N1CCC2(CC1)NC3=C4NC(=O)/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)/C=C/O[C@@]5(C)Oc6c(C5=O)c(C3=N2)c(C4=O)c(O)c6C)/C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M21 compound treatment 0.021 0.366 0.36 0.007 0.365 0.34 -0.014 0.23908243902439 0.299746663087854 0.5781 0.9969 1001638 BPBio1_001341 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M22 compound treatment 0.43 0.775 0.77 1.055 1.41 1.27 0.421 0.67408243902439 0.845122555082644 1.6686 0.9745 3069862 BPBio1_001342 CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M23 mock treatment -0.501 -0.156 -0.16 -0.341 0.0166 0.02 -0.137 0.11608243902439 0.145536928110017 0.0034 0.016 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 M24 mock treatment 0.153 0.498 0.5 0.368 0.726 0.67 0.07 0.32308243902439 0.405060628438572 0.9077 0.9784 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N01 compound treatment 0.165 0.51 0.51 0.053 0.411 0.38 0.237 0.49008243902439 0.614434821457261 0.867 0.9822 3614505 BPBio1_001343 CC(C)[C@@]1(NC(=O)[C@@H]2CC3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N02 compound treatment 0.384 0.729 0.72 0.481 0.839 0.78 0.255 0.50808243902439 0.637002099746701 1.2346 0.9968 3614700 BPBio1_001344 NC(=O)C[C@H](NC(=O)Cc1ccc(O)cc1O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N03 compound treatment 0.086 0.431 0.43 1.088 1.45 1.28 0.526 0.77908243902439 0.976765011771041 1.5529 0.9301 437 BPBio1_001345 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N04 compound treatment 2.702 3.05 1.68 3.934 4.29 1.68 2.267 2.52008243902439 1.97842086951914 3.0861 0.997 3614702 BPBio1_001346 N[C@@H](C(=O)O)c1ccc(O)c(c1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N05 compound treatment 0.178 0.523 0.52 -0.474 -0.116 -0.11 -0.244 0.00908243902438999 0.0113869960561264 0.2446 0.4604 907498 BPBio1_001347 CN1CCc2cc(Br)c(O)cc2C(C1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N06 compound treatment -0.335 0.0101 0.01 -0.079 0.279 0.26 0.431 0.68408243902439 0.85765993191011 0.6499 0.7256 3614705 BPBio1_001348 N[C@H](CCC(=O)NCC(=O)O)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N07 compound treatment -0.686 -0.341 -0.34 -0.79 -0.432 -0.4 -0.832 -0.57891756097561 -0.725810761398899 -0.8459 -0.9446 3061056 BPBio1_001349 Ic1ccc(cc1)N2CCN(Cc3c[nH]c4ncccc34)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N08 compound treatment -0.637 -0.292 -0.29 -0.322 0.0356 0.03 -0.682 -0.42891756097561 -0.537750108986903 -0.459 -0.75 949 BPBio1_001350 OC(=O)c1cc(O)c2ccccc2n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N09 compound treatment -0.374 -0.0289 -0.03 -0.261 0.0966 0.09 -0.281 -0.02791756097561 -0.0350012982054994 0.0148 0.1479 1001908 BPBio1_001351 Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N10 compound treatment 0.169 0.514 0.51 -0.015 0.343 0.32 0.258 0.51108243902439 0.640763312794941 0.8482 0.9651 1496 BPBio1_001352 CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N11 compound treatment -0.386 -0.0409 -0.04 0.235 0.593 0.55 -0.013 0.24008243902439 0.301000400770601 0.4671 0.7448 907195 BPBio1_001353 Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N12 compound treatment 0.02 0.365 0.36 0.054 0.412 0.38 0.217 0.47008243902439 0.589360067802328 0.7699 0.9743 907494 BPBio1_001354 CCCN(CCC)C1CCc2cccc(O)c2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N13 compound treatment -0.639 -0.294 -0.29 -0.773 -0.415 -0.38 -0.69 -0.43691756097561 -0.547780010448876 -0.707 -0.9681 907136 BPBio1_001355 NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C3(CC4CC5CC(C4)C3)C5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N14 compound treatment 0.559 0.904 0.9 -0.056 0.302 0.28 0.202 0.45508243902439 0.570554002561129 1.0096 0.9173 3304 BPBio1_001356 Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N15 compound treatment 0.645 0.99 0.98 1.489 1.85 1.39 0.617 0.87008243902439 1.09085514090099 1.9989 0.9893 1001864 BPBio1_001357 CN1CC(=C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N16 compound treatment 0.615 0.96 0.95 1.265 1.62 1.33 0.807 1.06008243902439 1.32906530062285 2.0884 0.9893 614200 BPBio1_001358 CN1C2CCC1CC(C2)OC(=O)c3cc(Cl)cc(Cl)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N17 compound treatment -0.127 0.218 0.22 -0.237 0.121 0.11 -0.228 0.02508243902439 0.0314467989800726 0.2078 0.8451 1438259 BPBio1_001359 CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N18 mock treatment -0.427 -0.0819 -0.08 -0.013 0.345 0.32 0.548 0.80108243902439 1.00434724079147 0.7171 0.6784 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N19 compound treatment 0.367 0.712 0.71 0.713 1.07 0.99 0.989 1.24208243902439 1.55724555888274 1.8801 0.951 3187750 BPBio1_001360 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N20 compound treatment 0.202 0.547 0.54 0.172 0.53 0.49 0.54 0.79308243902439 0.994317339329494 1.1712 0.9484 907388 BPBio1_001361 Cc1[nH]c2ccc(O)cc2c1CCN 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N21 compound treatment 0.358 0.703 0.7 0.205 0.563 0.52 -0.305 -0.05191756097561 -0.0650910025914188 0.6667 0.7627 907229 BPBio1_001362 Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N22 compound treatment 0.005 0.35 0.35 0.745 1.1 1.02 0.504 0.75708243902439 0.949182782750615 1.3384 0.9315 3294 BPBio1_001363 COc1ccccc1N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N23 mock treatment -0.034 0.311 0.31 -0.304 0.0536 0.05 -0.094 0.15908243902439 0.199447648468123 0.3224 0.8681 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 N24 mock treatment -0.252 0.0931 0.09 0.004 0.362 0.33 0.15 0.40308243902439 0.505359643058304 0.5385 0.8781 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O01 compound treatment -0.43 -0.0849 -0.08 -0.272 0.0856 0.08 -0.567 -0.31391756097561 -0.393570275471039 -0.2302 -0.5611 3614727 BPBio1_001364 COc1c(nc2ccc(NCc3cccc(OC)c3)nn12)c4ccc(N)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O02 compound treatment -0.157 0.188 0.19 -0.291 0.0666 0.06 -0.019 0.23408243902439 0.293477974674121 0.313 0.8857 1002512 BPBio1_001365 OC(=O)c1ccncc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O03 compound treatment -0.583 -0.238 -0.24 -0.503 -0.145 -0.13 -0.694 -0.44091756097561 -0.552794961179863 -0.5335 -0.8658 2080909 BPBio1_001366 CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O04 compound treatment -0.071 0.274 0.27 -0.308 0.0496 0.05 -0.003 0.25008243902439 0.313537777598067 0.3649 0.873 3856 BPBio1_001367 CNC1(C)C2CCC(C2)C1(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O05 compound treatment -0.428 -0.0829 -0.08 0.075 0.433 0.4 -0.2 0.05308243902439 0.0665514540969786 0.2221 0.536 3069809 BPBio1_001368 CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O06 compound treatment -0.278 0.0671 0.07 -0.678 -0.32 -0.3 -0.576 -0.32291756097561 -0.404853914615759 -0.3665 -0.7239 3199 BPBio1_001369 CNNCc1ccc(cc1)C(=O)NC(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O07 compound treatment -0.014 0.331 0.33 -0.227 0.131 0.12 0.13 0.38308243902439 0.480284889403371 0.5371 0.9033 3616863 BPBio1_001370 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C)C(=O)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O08 compound treatment 0.194 0.539 0.54 0.76 1.12 1.03 0.108 0.36108243902439 0.452702660382944 1.1683 0.9344 3616911 BPBio1_001371 NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)[C@H]2C[C@H](O)N=C(N)N2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O09 compound treatment -0.228 0.117 0.12 -0.151 0.207 0.19 -0.082 0.17108243902439 0.214492500661082 0.3015 0.9723 3177327 BPBio1_001372 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O10 compound treatment 0.054 0.399 0.4 0.237 0.595 0.55 0.198 0.45108243902439 0.565539051830142 0.8734 0.9887 3069863 BPBio1_001373 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O11 compound treatment 0.026 0.371 0.37 0.246 0.604 0.56 0.233 0.48608243902439 0.609419870726275 0.8875 0.9802 1511611 BPBio1_001374 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O12 compound treatment -0.563 -0.218 -0.22 -0.652 -0.294 -0.27 -0.329 -0.07591756097561 -0.0951807069773382 -0.3374 -0.9347 1509 BPBio1_001375 Cn1c(COC(=O)N)ncc1[N+](=O)[O-] 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O13 compound treatment -0.358 -0.0129 -0.01 -0.502 -0.144 -0.13 -0.348 -0.09491756097561 -0.119001722949524 -0.1533 -0.8544 3616868 BPBio1_001376 OC/C=C/1\C[N@+]2(CC=C)CC[C@]3([C@@H]2C[C@@H]1C4=CN5C6C(=CN7C43)[C@H]\8C[C@H]9[C@@]6(CC[N@@+]9(CC=C)C/C8=C\CO)c%10ccccc5%10)c%11ccccc7%11 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O14 compound treatment -0.031 0.314 0.31 -0.371 -0.0134 -0.01 -0.996 -0.74291756097561 -0.931423741369349 -0.3646 -0.3712 1829 BPBio1_001377 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O15 compound treatment -0.32 0.0251 0.02 0.153 0.511 0.47 0.123 0.37608243902439 0.471508725624144 0.5596 0.8375 2747 BPBio1_001378 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O16 compound treatment 0.493 0.838 0.83 0.323 0.681 0.63 0.306 0.55908243902439 0.70094272156678 1.2496 0.9933 1078453 BPBio1_001379 Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O17 compound treatment 0.08 0.425 0.42 -0.103 0.255 0.24 -0.106 0.14708243902439 0.184402796275163 0.4866 0.9396 3069810 BPBio1_001380 COc1ccc(C[C@](C)(N)C(=O)O)cc1OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O18 compound treatment -0.343 0.00207 0.0 -0.498 -0.14 -0.13 -0.371 -0.11791756097561 -0.147837689652697 -0.1592 -0.8087 3616914 BPBio1_001381 CO/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)/c4csc(N)n4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O19 compound treatment 0.012 0.357 0.35 -0.348 0.00961 0.01 0.031 0.28408243902439 0.356164858811453 0.4157 0.8266 3069811 BPBio1_001382 C[C@@H]1CN(CC[C@]1(C(=O)O)c2ccccc2)[C@H]3CC[C@](CC3)(C#N)c4ccc(F)cc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O20 compound treatment 0.006 0.351 0.35 0.248 0.606 0.56 0.295 0.54808243902439 0.687151607056566 0.922 0.9673 3188289 BPBio1_001383 C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O21 compound treatment 0.668 1.01 1.01 0.238 0.596 0.55 1.519 1.77208243902439 1.78179269693012 1.9286 0.9098 3188156 BPBio1_001384 CN(C)c1ccc2[n+](C)c(/C=C\c3cc(C)n(c3C)c4ccccc4)ccc2c1.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O22 compound treatment 0.053 0.398 0.4 0.557 0.915 0.85 0.828 1.08108243902439 1.35539379196053 1.5 0.911 2884 BPBio1_001385 CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O23 mock treatment -0.247 0.0981 0.1 -0.182 0.176 0.16 -0.476 -0.22291756097561 -0.279480146341095 -0.0112 -0.0331 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 O24 mock treatment 0.084 0.429 0.43 -0.212 0.146 0.13 -0.084 0.16908243902439 0.211985025295589 0.4465 0.902 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P01 compound treatment 0.12 0.465 0.46 0.245 0.603 0.56 -0.2 0.05308243902439 0.0665514540969786 0.6275 0.8623 3614511 BPBio1_001386 CCCN(CCC)C1CCc2cc(O)c(O)cc2C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P02 compound treatment -0.469 -0.124 -0.12 -0.158 0.2 0.18 -0.363 -0.10991756097561 -0.137807788190724 -0.044 -0.1683 539732 BPBio1_001387 C1CN(CCN1)c2cccc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P03 compound treatment -0.129 0.216 0.21 0.292 0.65 0.6 0.439 0.69208243902439 0.867689833372083 0.9723 0.9024 907269 BPBio1_001388 CCCN(CCC)CCc1ccc(O)c(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P04 compound treatment 0.0 0.345 0.34 0.025 0.383 0.35 0.75 1.00308243902439 1.25760225270629 1.1287 0.8355 907481 BPBio1_001389 [O-][N+](=O)c1ccc2nc(ccc2c1)N3CCNCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P05 compound treatment 0.132 0.477 0.47 0.074 0.432 0.4 0.09 0.34308243902439 0.430135382093505 0.7529 0.9975 907267 BPBio1_001390 CN1CCc2cc(O)cc-3c2[C@H]1Cc4ccc(O)c(O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P06 compound treatment 0.494 0.839 0.83 0.202 0.56 0.52 0.105 0.35808243902439 0.448941447334704 1.04 0.9631 1096365 BPBio1_001391 CN1CCC(=C2c3ccsc3CCc4ccccc24)CC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P07 compound treatment -0.185 0.16 0.16 -0.076 0.282 0.26 -0.167 0.08608243902439 0.107924797627618 0.3047 0.9406 907268 BPBio1_001392 CCCN1CCc2cc(O)cc-3c2[C@H]1Cc4ccc(O)c(O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P08 compound treatment 0.412 0.757 0.75 0.413 0.771 0.71 0.197 0.45008243902439 0.564285314147396 1.1723 0.9929 1494 BPBio1_001393 C1CN(CCN1)c2ccc3ccccc3n2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P09 compound treatment 0.448 0.793 0.79 0.46 0.818 0.76 -0.121 0.13208243902439 0.165596731033963 0.9879 0.8936 1501 BPBio1_001394 NCCc1ccc(O)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P10 compound treatment 0.085 0.43 0.43 0.061 0.419 0.39 -0.067 0.18608243902439 0.233298565902282 0.6053 0.9725 907496 BPBio1_001395 O=C1NCN(c2ccccc2)C31CCN(CC4COc5ccccc5O4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P11 compound treatment 0.143 0.488 0.49 0.138 0.496 0.46 0.002 0.25508243902439 0.3198064660118 0.7297 0.9855 2060500 BPBio1_001396 NCCc1cccc(O)c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P12 compound treatment -0.089 0.256 0.25 -0.106 0.252 0.23 -0.013 0.24008243902439 0.301000400770601 0.4553 0.9942 3614541 BPBio1_001397 CN1C(=O)COc2c(cc(Cl)cc12)C(=O)NC3CN4CCC3CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P13 compound treatment 0.827 1.17 1.17 1.479 1.84 1.38 0.641 0.89408243902439 1.1209448452869 2.1195 0.9956 3614515 BPBio1_001398 CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P14 compound treatment 0.374 0.719 0.71 0.487 0.845 0.78 0.338 0.59108243902439 0.741062327414672 1.2921 0.9993 3614543 BPBio1_001399 C(COc1ccc2OCOc2c1)CN3CCN(CC3)c4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P15 compound treatment -0.045 0.3 0.3 0.352 0.71 0.66 0.185 0.43808243902439 0.549240461954436 0.8687 0.9579 907466 BPBio1_001400 CCCN1CCO[C@H]2[C@H]1COc3ccc(O)cc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P16 compound treatment 1.994 2.34 1.58 17.157 17.5 1.99 13.402 13.6550824390244 2.61763191970504 3.5726 0.9793 907201 BPBio1_001401 CN1CCC(CC1)c2c[nH]c3ccc(O)cc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P17 compound treatment 0.051 0.396 0.39 -0.193 0.165 0.15 -0.134 0.11908243902439 0.149298141158257 0.4015 0.8966 907456 BPBio1_001402 CCCN(CCc1ccccc1)C2CCc3c(O)cccc3C2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P18 compound treatment 1.831 2.18 1.55 1.559 1.92 1.4 1.156 1.40908243902439 1.64389005985142 2.6548 0.9979 1504 BPBio1_001403 O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P19 compound treatment 0.066 0.411 0.41 -0.147 0.211 0.2 -0.083 0.17008243902439 0.213238762978336 0.4716 0.9423 1001905 BPBio1_001404 CCCN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P20 compound treatment -0.277 0.0681 0.07 -0.339 0.0186 0.02 0.073 0.32608243902439 0.408821841486812 0.2851 0.6873 907224 BPBio1_001405 NCCc1c[nH]c2ccc(cc12)C(=O)N 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P21 compound treatment 0.228 0.573 0.57 0.587 0.945 0.87 0.573 0.82608243902439 1.03569068286013 1.4319 0.9738 1002009 BPBio1_001406 CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P22 compound treatment 0.442 0.787 0.78 0.221 0.579 0.54 0.066 0.31908243902439 0.400045677707585 0.9921 0.9639 3614549 BPBio1_001407 OCc1ccccc1N2CCN(CCN(C(=O)C3CCCCC3)c4ccccn4)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P23 mock treatment -0.289 0.0561 0.06 -0.362 -0.00439 0.0 -0.314 -0.06091756097561 -0.0763746417361386 -0.0143 -0.1507 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2323 P24 mock treatment -0.115 0.23 0.23 0.09 0.448 0.41 -0.017 0.23608243902439 0.295985450039614 0.5422 0.9712 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A01 compound treatment -0.115 0.23 0.23 0.288 0.646 0.6 0.045 0.29808243902439 0.373717186369906 0.693 0.9349 2019929 DHPC8.1_000001 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)O)c3ccsc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A02 compound treatment -0.638 -0.293 -0.29 -1.385 -1.03 -0.95 -0.578 -0.32491756097561 -0.407361389981252 -0.9526 -0.8861 3557052 DHPC8.1_000002 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A03 compound treatment -0.16 0.185 0.18 -0.367 -0.00939 -0.01 -0.145 0.10808243902439 0.135507026648044 0.1794 0.7847 3556472 DHPC8.1_000003 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)O)c3csc4ccccc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A04 compound treatment -0.142 0.203 0.2 -0.417 -0.0594 -0.05 0.374 0.62708243902439 0.786196883993551 0.5387 0.6622 3557032 DHPC8.1_000004 COc1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A05 compound treatment 0.131 0.476 0.47 -0.509 -0.151 -0.14 -0.614 -0.36091756097561 -0.452495946560131 -0.0689 -0.1029 2020334 DHPC8.1_000005 CC(C)[C@H]1C[C@@H](OCCCCO)OC(=C1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A06 compound treatment -0.039 0.306 0.3 1.277 1.63 1.34 0.199 0.45208243902439 0.566792789512889 1.2747 0.8593 3557033 DHPC8.1_000006 COc1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A07 compound treatment 0.243 0.588 0.58 -0.034 0.324 0.3 0.183 0.43608243902439 0.546732986588943 0.8262 0.9667 2019875 DHPC8.1_000007 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A08 compound treatment -0.156 0.189 0.19 -0.549 -0.191 -0.18 -0.195 0.05808243902439 0.0728201425107118 0.0482 0.1798 3556956 DHPC8.1_000008 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A09 compound treatment -0.047 0.298 0.3 -0.076 0.282 0.26 -0.357 -0.10391756097561 -0.130285362094244 0.2464 0.5928 3556348 DHPC8.1_000009 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)O)c2csc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A10 compound treatment -1.534 -1.19 -1.18 -1.406 -1.05 -0.97 -1.039 -0.78591756097561 -0.985334461727454 -1.8118 -0.9958 3557040 DHPC8.1_000010 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A11 compound treatment -0.022 0.323 0.32 0.972 1.33 1.23 0.922 1.17508243902439 1.47324513413871 1.7468 0.8974 2020415 DHPC8.1_000011 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A12 compound treatment 0.395 0.74 0.74 0.295 0.653 0.6 0.297 0.55008243902439 0.68965908242206 1.1718 0.9968 2020331 DHPC8.1_000012 CC(C)[C@H]1C[C@@H](OCCCCO)OC(=C1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A13 mock treatment -0.048 0.297 0.3 0.189 0.547 0.51 -0.281 -0.02791756097561 -0.0350012982054994 0.4425 0.7538 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A14 mock treatment -0.224 0.121 0.12 -0.266 0.0916 0.08 0.049 0.30208243902439 0.378732137100893 0.3371 0.8296 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A15 compound treatment -0.095 0.25 0.25 -0.477 -0.119 -0.11 -0.167 0.08608243902439 0.107924797627618 0.142 0.4852 3556774 DHPC8.1_000013 COc1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A16 compound treatment 0.926 1.27 1.26 2.498 2.86 1.55 1.291 1.54408243902439 1.69971775590387 2.6067 0.9928 3640820 DHPC8.1_000014 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCCCC3)c4ccc-5c(Cc6ccccc65)c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A17 compound treatment 0.297 0.642 0.64 0.338 0.696 0.64 -0.358 -0.10491756097561 -0.131539099776991 0.6645 0.7252 2019902 DHPC8.1_000015 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)O)c3ccc4OCOc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A18 compound treatment 0.078 0.423 0.42 0.055 0.413 0.38 0.216 0.46908243902439 0.588106330119582 0.803 0.9819 3557021 DHPC8.1_000016 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)N2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A19 compound treatment -0.461 -0.116 -0.12 -0.381 -0.0234 -0.02 -0.289 -0.03591756097561 -0.0450311996674725 -0.105 -0.8362 3556749 DHPC8.1_000017 COc1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A20 compound treatment 0.114 0.459 0.46 -0.285 0.0726 0.07 -0.249 0.00408243902438998 0.00511830764239316 0.3053 0.6617 2020412 DHPC8.1_000018 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A21 compound treatment -0.454 -0.109 -0.11 -0.425 -0.0674 -0.06 -0.329 -0.07591756097561 -0.0951807069773382 -0.1535 -0.9771 2019389 DHPC8.1_000019 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2ccsc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A22 compound treatment -0.49 -0.145 -0.14 -0.599 -0.241 -0.22 -0.466 -0.21291756097561 -0.266942769513628 -0.3664 -0.9723 3556360 DHPC8.1_000020 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCCCC2)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A23 compound treatment -0.052 0.293 0.29 -0.073 0.285 0.26 -0.072 0.18108243902439 0.227029877488549 0.4514 0.9949 2020901 DHPC8.1_000021 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 A24 compound treatment -0.318 0.0271 0.03 -0.891 -0.533 -0.49 -0.329 -0.07591756097561 -0.0951807069773382 -0.3246 -0.6444 2020439 DHPC8.1_000022 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B01 compound treatment 1.289 1.63 1.43 1.56 1.92 1.4 0.455 0.70808243902439 0.887749636296029 2.1463 0.9804 2019899 DHPC8.1_000023 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccc7OCOc7c6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B02 compound treatment 0.355 0.7 0.7 -0.073 0.285 0.26 0.053 0.30608243902439 0.383747087831879 0.7755 0.9262 3556793 DHPC8.1_000024 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B03 compound treatment -0.173 0.172 0.17 -0.085 0.273 0.25 0.049 0.30208243902439 0.378732137100893 0.4632 0.9526 3556950 DHPC8.1_000025 COc1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B04 compound treatment -0.251 0.0941 0.09 -0.761 -0.403 -0.37 -0.396 -0.14291756097561 -0.179181131721363 -0.2651 -0.6242 3557001 DHPC8.1_000026 COc1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCN(Cc5ccc6OCOc6c5)CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B05 compound treatment 1.194 1.54 1.4 1.616 1.97 1.41 2.048 2.30108243902439 1.92966493809819 2.7387 0.9881 3557015 DHPC8.1_000027 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)Nc3ccccc3)c4cccs4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B06 compound treatment 0.067 0.412 0.41 0.561 0.919 0.85 0.907 1.16008243902439 1.45443906889751 1.5673 0.9039 3556910 DHPC8.1_000028 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B07 compound treatment 0.342 0.687 0.68 0.273 0.631 0.58 0.338 0.59108243902439 0.741062327414672 1.1593 0.9953 3556593 DHPC8.1_000029 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCC2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B08 compound treatment -0.054 0.291 0.29 -1.084 -0.726 -0.67 -0.58 -0.32691756097561 -0.409868865346745 -0.4579 -0.5457 1952202 DHPC8.1_000030 CC(C)/C=C/C(=O)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B09 compound treatment -0.707 -0.362 -0.36 -0.471 -0.113 -0.1 -0.401 -0.14791756097561 -0.185449820135097 -0.3754 -0.8977 3556823 DHPC8.1_000031 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)Nc3ccccc3)c4ccc5OCOc5c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B10 compound treatment 0.036 0.381 0.38 0.064 0.422 0.39 -0.232 0.02108243902439 0.0264318482490861 0.4594 0.8435 3644571 DHPC8.1_000032 C=CCOC(=O)C(=O)/C=C/c1ccc2Cc3ccccc3-c2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B11 compound treatment -0.127 0.218 0.22 0.297 0.655 0.61 0.098 0.35108243902439 0.440165283555478 0.7292 0.9351 2019332 DHPC8.1_000033 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B12 compound treatment -0.011 0.334 0.33 -0.269 0.0886 0.08 -0.217 0.03608243902439 0.0452379134902857 0.2652 0.7686 1952204 DHPC8.1_000034 C=CCOC(=O)C(=O)/C=C/c1ccc2OCOc2c1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B13 mock treatment -0.076 0.269 0.27 0.172 0.53 0.49 0.185 0.43808243902439 0.549240461954436 0.7547 0.9633 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B14 mock treatment -0.108 0.237 0.24 0.06 0.418 0.39 0.659 0.91208243902439 1.14351212357634 1.0195 0.8289 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B15 compound treatment 0.363 0.708 0.7 0.052 0.41 0.38 0.085 0.33808243902439 0.423866693679772 0.8701 0.9614 3557022 DHPC8.1_000035 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B16 compound treatment -0.119 0.226 0.22 -0.434 -0.0764 -0.07 -0.292 -0.03891756097561 -0.0487924127157124 0.0607 0.2525 3644223 DHPC8.1_000036 COc1ccc(/C=C/C(=O)C(=O)OCC=C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B17 compound treatment -0.07 0.275 0.27 -0.466 -0.108 -0.1 -0.361 -0.10791756097561 -0.135300312825231 0.0218 0.0679 3641348 DHPC8.1_000037 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccc-6c(Cc7ccccc76)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B18 compound treatment -0.167 0.178 0.18 0.018 0.376 0.35 0.133 0.38608243902439 0.484046102451611 0.5825 0.9368 3644225 DHPC8.1_000038 COC(=O)c1ccc(/C=C/C(=O)C(=O)OCC=C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B19 compound treatment 0.286 0.631 0.63 0.522 0.88 0.81 0.605 0.85808243902439 1.07581028870803 1.4536 0.9768 3556975 DHPC8.1_000039 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5csc6ccccc56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B20 compound treatment -0.026 0.319 0.32 -0.349 0.00861 0.01 -0.207 0.04608243902439 0.0577752903177522 0.2211 0.6855 3644221 DHPC8.1_000040 C=CCOC(=O)C(=O)/C=C/c1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B21 compound treatment -0.104 0.241 0.24 -0.293 0.0646 0.06 -0.392 -0.13891756097561 -0.174166180990377 0.0724 0.2394 3641365 DHPC8.1_000041 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc2ccccc2)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B22 compound treatment -0.196 0.149 0.15 0.146 0.504 0.47 0.134 0.38708243902439 0.485299840134357 0.635 0.9214 1952200 DHPC8.1_000042 C=CCOC(=O)C(=O)/C=C/c1ccsc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B23 compound treatment -0.662 -0.317 -0.32 -0.499 -0.141 -0.13 -0.211 0.04208243902439 0.0527603395867656 -0.227 -0.6576 2020358 DHPC8.1_000043 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 B24 compound treatment 0.094 0.439 0.44 0.093 0.451 0.42 -0.013 0.24008243902439 0.301000400770601 0.6667 0.9881 3644241 DHPC8.1_000044 C=CCOC(=O)C(=O)/C=C/c1csc2ccccc12 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C01 compound treatment -0.327 0.0181 0.02 -1.055 -0.697 -0.65 0.009 0.26208243902439 0.328582629791027 -0.1727 -0.2383 2019335 DHPC8.1_000045 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C02 compound treatment 1.998 2.34 1.58 0.516 0.874 0.81 0.153 0.40608243902439 0.509120856106543 1.6748 0.9058 3556887 DHPC8.1_000046 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)Nc3ccccc3)c4cccs4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C03 compound treatment -0.028 0.317 0.32 -0.182 0.176 0.16 0.088 0.34108243902439 0.427627906728012 0.5228 0.9409 3641369 DHPC8.1_000047 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)O)c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C04 compound treatment -0.486 -0.141 -0.14 -1.188 -0.83 -0.77 -0.795 -0.54191756097561 -0.679422467137274 -0.9171 -0.8856 3556899 DHPC8.1_000048 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6cccs6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C05 compound treatment -0.333 0.0121 0.01 -0.219 0.139 0.13 0.032 0.28508243902439 0.3574185964942 0.2874 0.7564 3221232 DHPC8.1_000049 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C06 compound treatment -0.162 0.183 0.18 -0.389 -0.0314 -0.03 -0.475 -0.22191756097561 -0.278226408658348 -0.0723 -0.2168 2019386 DHPC8.1_000050 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccsc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C07 compound treatment -0.082 0.263 0.26 -0.575 -0.217 -0.2 0.191 0.44408243902439 0.556762888050916 0.3562 0.5504 2019821 DHPC8.1_000051 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)O)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C08 compound treatment 0.049 0.394 0.39 -0.467 -0.109 -0.1 -0.242 0.01108243902439 0.0138944714216197 0.1757 0.434 2020898 DHPC8.1_000052 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccccc6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C09 compound treatment 0.1 0.445 0.44 -0.062 0.296 0.27 -0.283 -0.02991756097561 -0.0375087735709926 0.3918 0.7512 2019281 DHPC8.1_000053 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C10 compound treatment 1.168 1.51 1.39 0.818 1.18 1.09 -0.157 0.09608243902439 0.120462174455084 1.5019 0.8478 3556999 DHPC8.1_000054 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3ccc(OC)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C11 mock treatment -0.222 0.123 0.12 -0.164 0.194 0.18 -0.008 0.24508243902439 0.307269089184334 0.3515 0.9345 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C12 mock treatment -1.581 -1.24 -1.23 -0.964 -0.606 -0.56 -0.849 -0.59591756097561 -0.747124302005592 -1.4649 -0.9489 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C13 compound treatment -0.387 -0.0419 -0.04 0.233 0.591 0.55 0.151 0.40408243902439 0.50661338074105 0.5842 0.7824 3556650 DHPC8.1_000055 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)O)c3csc4ccccc34)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C14 compound treatment -0.09 0.255 0.25 -0.048 0.31 0.29 0.115 0.36808243902439 0.461478824162171 0.5784 0.9647 3557047 DHPC8.1_000056 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2csc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C15 mock treatment -0.17 0.175 0.17 -0.065 0.293 0.27 0.034 0.28708243902439 0.359926071859693 0.4647 0.9622 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C16 mock treatment -0.351 -0.00593 -0.01 -0.296 0.0616 0.06 0.0 0.25308243902439 0.317298990646307 0.2127 0.6597 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C17 compound treatment 0.134 0.479 0.48 -0.156 0.202 0.19 -0.014 0.23908243902439 0.299746663087854 0.5558 0.9374 2019794 DHPC8.1_000057 CC(C)[C@@H]1C[C@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C18 compound treatment 0.074 0.419 0.42 -0.016 0.342 0.32 0.159 0.41208243902439 0.516643282203023 0.7214 0.9813 3556969 DHPC8.1_000058 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2ccsc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C19 compound treatment -0.264 0.0811 0.08 -0.398 -0.0404 -0.04 -0.113 0.14008243902439 0.175626632495937 0.1263 0.6419 2020361 DHPC8.1_000059 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)O)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C20 compound treatment 1.432 1.78 1.47 0.32 0.678 0.63 0.226 0.47908243902439 0.600643706947048 1.555 0.9129 2020983 DHPC8.1_000060 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4ccsc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C21 compound treatment -0.307 0.0381 0.04 0.027 0.385 0.36 0.083 0.33608243902439 0.421359218314278 0.4707 0.8512 3556698 DHPC8.1_000061 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)O)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C22 compound treatment -0.088 0.257 0.26 -0.221 0.137 0.13 -0.41 -0.15691756097561 -0.196733459279816 0.107 0.3089 3556867 DHPC8.1_000062 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)Nc3ccccc3)c4ccsc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C23 compound treatment -0.432 -0.0869 -0.09 -0.11 0.248 0.23 -0.233 0.02008243902439 0.0251781105663394 0.097 0.3938 2020955 DHPC8.1_000063 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 C24 compound treatment 0.297 0.642 0.64 -0.085 0.273 0.25 -0.143 0.11008243902439 0.138014502013537 0.594 0.8483 3188423 DHPC8.1_000064 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D01 compound treatment -0.747 -0.402 -0.4 -0.456 -0.0984 -0.09 0.025 0.27808243902439 0.348642432714973 -0.082 -0.1524 3557016 DHPC8.1_000065 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCCCC3)c4cccs4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D02 compound treatment 0.02 0.365 0.36 0.268 0.626 0.58 0.285 0.53808243902439 0.6746142302291 0.9335 0.972 3644239 DHPC8.1_000066 C=CCOC(=O)C(=O)/C=C/c1cccs1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D03 compound treatment 1.633 1.98 1.51 0.305 0.663 0.61 0.826 1.07908243902439 1.35288631659503 2.0083 0.9475 3639708 DHPC8.1_000067 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCC2)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D04 compound treatment 0.347 0.692 0.69 0.029 0.387 0.36 2.333 2.58608243902439 1.99201359057389 1.754 0.8205 3644573 DHPC8.1_000068 OCc1ccc(COC=C)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D05 compound treatment -0.211 0.134 0.13 -0.355 0.00261 0.0 -0.124 0.12908243902439 0.161835517985723 0.1718 0.8193 3640829 DHPC8.1_000069 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D06 compound treatment -0.859 -0.514 -0.51 -0.567 -0.209 -0.19 -0.69 -0.43691756097561 -0.547780010448876 -0.7232 -0.9346 3644574 DHPC8.1_000070 OCCCCOC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D07 compound treatment -0.424 -0.0789 -0.08 -0.277 0.0806 0.07 -0.375 -0.12191756097561 -0.152852640383684 -0.0905 -0.4829 3556952 DHPC8.1_000071 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D08 compound treatment 0.6 0.945 0.94 0.36 0.718 0.66 0.395 0.64808243902439 0.812525375331231 1.3952 0.9904 1009811 DHPC8.1_000072 Nc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D09 compound treatment -0.145 0.2 0.2 0.12 0.478 0.44 -0.349 -0.09591756097561 -0.120255460632271 0.3007 0.6019 3557002 DHPC8.1_000073 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D10 compound treatment -1.29 -0.945 -0.94 -0.613 -0.255 -0.24 -0.504 -0.25091756097561 -0.314584801458001 -0.8605 -0.8449 1020810 DHPC8.1_000074 C1CCNCC1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D11 mock treatment -0.431 -0.0859 -0.09 -0.023 0.335 0.31 -0.185 0.06808243902439 0.0853575193381783 0.1788 0.5378 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D12 mock treatment -0.847 -0.502 -0.5 -0.529 -0.171 -0.16 0.344 0.59708243902439 0.748584753511152 0.0525 0.0574 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D13 compound treatment -1.088 -0.743 -0.74 -0.797 -0.439 -0.41 -0.103 0.15008243902439 0.188164009323403 -0.5527 -0.6397 2019791 DHPC8.1_000075 CC(C)[C@@H]1C[C@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D14 compound treatment -0.488 -0.143 -0.14 1.365 1.72 1.36 -0.171 0.08208243902439 0.102909846896631 0.7617 0.5561 1009903 DHPC8.1_000076 NCc1ccccc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D15 mock treatment -0.381 -0.0359 -0.04 -0.257 0.101 0.09 -0.261 -0.00791756097561003 -0.00992654455056656 0.0274 0.2736 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D16 mock treatment 0.346 0.691 0.69 0.166 0.524 0.48 -0.017 0.23608243902439 0.295985450039614 0.8475 0.9507 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D17 compound treatment 0.287 0.632 0.63 0.327 0.685 0.63 0.266 0.51908243902439 0.650793214256914 1.1045 0.9999 3638708 DHPC8.1_000077 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4ccc-5c(Cc6ccccc65)c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D18 compound treatment -0.405 -0.0599 -0.06 -0.288 0.0696 0.06 -0.223 0.03008243902439 0.0377154873938059 0.0246 0.2574 1237515 DHPC8.1_000078 C(N1CCNCC1)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D19 compound treatment 0.948 1.29 1.29 1.208 1.57 1.32 0.483 0.73608243902439 0.922854291412935 2.0363 0.9886 3556986 DHPC8.1_000079 CC(C)[C@@H]1C[C@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D20 mock treatment -0.014 0.331 0.33 0.224 0.582 0.54 -0.15 0.10308243902439 0.129238338234311 0.5756 0.8934 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D21 compound treatment 0.014 0.359 0.36 -0.255 0.103 0.1 -0.261 -0.00791756097561003 -0.00992654455056656 0.2552 0.6907 3638674 DHPC8.1_000080 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccc-7c(Cc8ccccc87)c6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D22 mock treatment -0.981 -0.636 -0.63 -0.887 -0.529 -0.49 -0.821 -0.56791756097561 -0.712019646888686 -1.0591 -0.9889 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D23 compound treatment -0.648 -0.303 -0.3 -0.232 0.126 0.12 -0.375 -0.12191756097561 -0.152852640383684 -0.195 -0.5458 3557017 DHPC8.1_000081 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 D24 mock treatment -1.215 -0.87 -0.86 -1.072 -0.714 -0.66 -0.946 -0.69291756097561 -0.868736857232016 -1.3828 -0.9927 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E01 mock treatment -0.272 0.0731 0.07 -0.144 0.214 0.2 -0.123 0.13008243902439 0.16308925566847 0.2503 0.9394 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E02 mock treatment -0.469 -0.124 -0.12 -0.725 -0.367 -0.34 -0.335 -0.08191756097561 -0.102703133073818 -0.3268 -0.869 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E03 compound treatment -0.032 0.313 0.31 -0.281 0.0766 0.07 -0.1 0.15308243902439 0.191925222371643 0.3315 0.8899 3556755 DHPC8.1_000082 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)O)c3cccs3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E04 compound treatment 0.076 0.421 0.42 -0.116 0.242 0.22 -0.243 0.01008243902439 0.012640733738873 0.3781 0.7964 3556452 DHPC8.1_000083 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCCCC3)c4ccc5OCOc5c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E05 compound treatment -0.05 0.295 0.29 -0.47 -0.112 -0.1 -0.453 -0.19991756097561 -0.250644179637922 -0.0354 -0.0887 3638716 DHPC8.1_000084 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)O)c3ccc-4c(Cc5ccccc54)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E06 compound treatment 0.243 0.588 0.58 0.443 0.801 0.74 0.508 0.76108243902439 0.954197733481601 1.3164 0.9807 3556638 DHPC8.1_000085 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCCCC3)c4ccc5OCOc5c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E07 compound treatment -0.112 0.233 0.23 -0.212 0.146 0.13 -0.324 -0.07091756097561 -0.088912018563605 0.1603 0.5675 3556765 DHPC8.1_000086 COc1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E08 compound treatment -1.118 -0.773 -0.77 -0.695 -0.337 -0.31 -0.643 -0.38991756097561 -0.488854339359784 -0.9063 -0.9412 3641363 DHPC8.1_000087 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E09 mock treatment -0.161 0.184 0.18 -0.038 0.32 0.3 -0.171 0.08208243902439 0.102909846896631 0.3359 0.9258 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E10 mock treatment -0.129 0.216 0.21 -0.217 0.141 0.13 -0.15 0.10308243902439 0.129238338234311 0.2738 0.9693 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E11 compound treatment 0.212 0.557 0.55 2.121 2.48 1.5 0.002 0.25508243902439 0.3198064660118 1.371 0.8403 3556778 DHPC8.1_000088 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)O)c3cccs3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E12 compound treatment -0.203 0.142 0.14 -0.299 0.0586 0.05 -0.277 -0.02391756097561 -0.0299863474745129 0.0956 0.6195 2020416 DHPC8.1_000089 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc2ccccc2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E13 compound treatment -0.356 -0.0109 -0.01 -0.358 -3.9E-4 0.0 -0.207 0.04608243902439 0.0577752903177522 0.0269 0.4571 3640846 DHPC8.1_000090 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)O)c3ccc-4c(Cc5ccccc54)c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E14 compound treatment -0.34 0.00507 0.01 -0.66 -0.302 -0.28 -0.222 0.03108243902439 0.0389692250765525 -0.1362 -0.4819 3557004 DHPC8.1_000091 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)Nc3ccccc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E15 compound treatment -0.381 -0.0359 -0.04 -0.92 -0.562 -0.52 -0.423 -0.16991756097561 -0.213032049155523 -0.4443 -0.788 2020469 DHPC8.1_000092 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)O)c2ccsc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E16 compound treatment 0.084 0.429 0.43 -0.161 0.197 0.18 -0.171 0.08208243902439 0.102909846896631 0.4108 0.8647 2019363 DHPC8.1_000093 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E17 mock treatment -0.125 0.22 0.22 -0.408 -0.0504 -0.05 -0.402 -0.14891756097561 -0.186703557817843 -0.0084 -0.0289 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E18 mock treatment -0.28 0.0651 0.06 -0.175 0.183 0.17 -0.193 0.06008243902439 0.0753276178762051 0.1785 0.9101 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E19 compound treatment 0.05 0.395 0.39 -0.364 -0.00639 -0.01 -0.346 -0.09291756097561 -0.116494247584031 0.1561 0.381 3639760 DHPC8.1_000094 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E20 compound treatment -0.864 -0.519 -0.52 -0.619 -0.261 -0.24 -0.482 -0.22891756097561 -0.287002572437574 -0.6033 -0.9455 3556954 DHPC8.1_000095 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2ccc(cc2)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E21 compound treatment -0.572 -0.227 -0.23 -0.252 0.106 0.1 -0.367 -0.11391756097561 -0.142822738921711 -0.1563 -0.5495 2020982 DHPC8.1_000096 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)O)c3ccc4OCOc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E22 compound treatment 3.182 3.53 1.74 3.388 3.75 1.64 2.232 2.48508243902439 1.97101676151401 3.0882 0.997 2020389 DHPC8.1_000097 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E23 compound treatment 0.032 0.377 0.37 0.161 0.519 0.48 0.457 0.71008243902439 0.890257111661523 1.0077 0.9341 3556782 DHPC8.1_000098 COc1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 E24 compound treatment -0.005 0.34 0.34 0.075 0.433 0.4 0.066 0.31908243902439 0.400045677707585 0.6574 0.997 3556973 DHPC8.1_000099 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2csc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F01 mock treatment -0.193 0.152 0.15 0.021 0.379 0.35 0.015 0.26808243902439 0.336105055887507 0.4837 0.951 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F02 mock treatment -0.018 0.327 0.33 -0.22 0.138 0.13 0.627 0.88008243902439 1.10339251772845 0.8983 0.7762 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F03 compound treatment -0.201 0.144 0.14 -0.653 -0.295 -0.27 -0.193 0.06008243902439 0.0753276178762051 -0.0317 -0.0998 3557044 DHPC8.1_000100 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCC2)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F04 mock treatment -0.407 -0.0619 -0.06 -0.763 -0.405 -0.38 -0.339 -0.08591756097561 -0.107718083804805 -0.3145 -0.7954 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F05 compound treatment -0.491 -0.146 -0.15 -1.211 -0.853 -0.79 -0.573 -0.31991756097561 -0.401092701567519 -0.7716 -0.8592 3556797 DHPC8.1_000101 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F06 mock treatment -0.068 0.277 0.28 -0.78 -0.422 -0.39 -0.377 -0.12391756097561 -0.155360115749177 -0.1565 -0.3111 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F07 compound treatment 0.385 0.73 0.73 -0.251 0.107 0.1 -0.24 0.01308243902439 0.016401946787113 0.4855 0.6627 3556966 DHPC8.1_000102 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F08 mock treatment -0.619 -0.274 -0.27 -0.189 0.169 0.16 -0.756 -0.50291756097561 -0.630526697510154 -0.4311 -0.6121 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F09 mock treatment -0.437 -0.0919 -0.09 -0.532 -0.174 -0.16 0.381 0.63408243902439 0.794973047772778 0.313 0.3834 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F10 mock treatment 0.539 0.884 0.88 -0.201 0.157 0.15 0.141 0.39408243902439 0.494076003913584 0.8764 0.8604 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F11 compound treatment -0.89 -0.545 -0.54 -0.809 -0.451 -0.42 -0.34 -0.08691756097561 -0.108971821487551 -0.617 -0.8905 2019255 DHPC8.1_000103 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F12 mock treatment -0.164 0.181 0.18 -0.205 0.153 0.14 -0.209 0.04408243902439 0.0552678149522589 0.2174 0.9235 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F13 compound treatment 0.888 1.23 1.23 2.623 2.98 1.57 1.658 1.91108243902439 1.82565669899596 2.6662 0.9875 2020871 DHPC8.1_000104 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F14 mock treatment -0.181 0.164 0.16 -1.072 -0.714 -0.66 0.632 0.88508243902439 1.10966120614219 0.3529 0.271 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F15 compound treatment -0.253 0.0921 0.09 -0.404 -0.0464 -0.04 -0.379 -0.12591756097561 -0.15786759111467 -0.0631 -0.3366 3556490 DHPC8.1_000105 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCCCC3)c4csc5ccccc45)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F16 mock treatment -0.351 -0.00593 -0.01 -0.584 -0.226 -0.21 -0.254 -9.17560975610021E-4 -0.00115038077134006 -0.1251 -0.5965 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F17 mock treatment -0.19 0.155 0.15 -0.49 -0.132 -0.12 -0.133 0.12008243902439 0.150551878841004 0.1052 0.4242 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F18 mock treatment -0.288 0.0571 0.06 -0.282 0.0756 0.07 -0.377 -0.12391756097561 -0.155360115749177 -0.0165 -0.092 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F19 compound treatment -0.354 -0.00893 -0.01 -0.054 0.304 0.28 -0.232 0.02108243902439 0.0264318482490861 0.1724 0.6104 3557014 DHPC8.1_000106 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6csc7ccccc67)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F20 mock treatment 0.122 0.467 0.46 -0.069 0.289 0.27 -0.189 0.06408243902439 0.0803425686071917 0.4688 0.8653 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F21 compound treatment 0.708 1.05 1.05 0.043 0.401 0.37 -0.556 -0.30291756097561 -0.379779160960826 0.5993 0.5106 3556602 DHPC8.1_000107 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F22 mock treatment -1.329 -0.984 -0.98 -0.84 -0.482 -0.45 -0.264 -0.01091756097561 -0.0136877575988065 -0.8305 -0.7723 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F23 compound treatment -0.334 0.0111 0.01 -0.164 0.194 0.18 -0.187 0.06608243902439 0.082850043972685 0.1577 0.7972 3556662 DHPC8.1_000108 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCCCC3)c4csc5ccccc45)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 F24 mock treatment -0.153 0.192 0.19 0.11 0.468 0.43 -0.01 0.24308243902439 0.304761613818841 0.5362 0.9526 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G01 compound treatment 0.251 0.596 0.59 0.549 0.907 0.84 -0.171 0.08208243902439 0.102909846896631 0.8862 0.8582 2021009 DHPC8.1_000109 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)O)c3ccsc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G02 compound treatment -0.633 -0.288 -0.29 -0.071 0.287 0.27 -0.113 0.14008243902439 0.175626632495937 0.0893 0.2087 3557048 DHPC8.1_000110 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5csc6ccccc56 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G03 mock treatment -0.026 0.319 0.32 -0.177 0.181 0.17 0.098 0.35108243902439 0.440165283555478 0.5338 0.9403 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G04 mock treatment -0.206 0.139 0.14 0.158 0.516 0.48 -0.143 0.11008243902439 0.138014502013537 0.4351 0.8436 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G05 compound treatment -0.292 0.0531 0.05 -0.362 -0.00439 0.0 -0.162 0.09108243902439 0.114193486041351 0.094 0.7472 3556597 DHPC8.1_000111 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2csc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G06 compound treatment -0.029 0.316 0.31 0.004 0.362 0.33 0.105 0.35808243902439 0.448941447334704 0.6339 0.9871 3556981 DHPC8.1_000112 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G07 compound treatment 0.008 0.353 0.35 -0.332 0.0256 0.02 -0.182 0.07108243902439 0.0891187323864182 0.2678 0.7379 2019362 DHPC8.1_000113 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G08 compound treatment -0.546 -0.201 -0.2 0.012 0.37 0.34 -0.256 -0.00291756097561002 -0.00365785613683334 0.0801 0.2022 3556934 DHPC8.1_000114 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G09 compound treatment -0.337 0.00807 0.01 0.209 0.567 0.52 -0.479 -0.22591756097561 -0.283241359389335 0.144 0.2415 2020874 DHPC8.1_000115 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)O 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G10 compound treatment 0.083 0.428 0.43 0.027 0.385 0.36 -0.359 -0.10591756097561 -0.132792837459737 0.3746 0.6566 3556586 DHPC8.1_000116 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G11 compound treatment -0.338 0.00707 0.01 -0.108 0.25 0.23 -0.155 0.09808243902439 0.122969649820578 0.2085 0.7961 2019928 DHPC8.1_000117 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)OCC=C)c3ccsc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G12 compound treatment -0.487 -0.142 -0.14 -0.48 -0.122 -0.11 -0.068 0.18508243902439 0.232044828219535 -0.0129 -0.0439 2019309 DHPC8.1_000118 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G13 compound treatment 0.367 0.712 0.71 -0.062 0.296 0.27 0.118 0.37108243902439 0.465240037210411 0.8354 0.9384 2019820 DHPC8.1_000119 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)OCC=C)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G14 compound treatment -0.48 -0.135 -0.13 -0.619 -0.261 -0.24 -0.741 -0.48791756097561 -0.611720632268955 -0.5704 -0.8495 3557020 DHPC8.1_000120 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G15 compound treatment -0.121 0.224 0.22 0.317 0.675 0.62 -0.115 0.13808243902439 0.173119157130443 0.5892 0.8596 3556710 DHPC8.1_000121 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)OCC=C)c3cccs3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G16 compound treatment -0.716 -0.371 -0.37 -0.822 -0.464 -0.43 -0.429 -0.17591756097561 -0.220554475252002 -0.5885 -0.9681 2019228 DHPC8.1_000122 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)NCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G17 compound treatment 0.12 0.465 0.46 -0.262 0.0956 0.09 -0.297 -0.04391756097561 -0.0550611011294457 0.2863 0.604 2019901 DHPC8.1_000123 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)OCC=C)c3ccc4OCOc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G18 compound treatment -0.297 0.0481 0.05 -0.312 0.0456 0.04 0.075 0.32808243902439 0.411329316852305 0.2895 0.6954 3556839 DHPC8.1_000124 COc1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G19 mock treatment -0.233 0.112 0.11 -0.264 0.0936 0.09 -0.196 0.05708243902439 0.0715664048279652 0.1557 0.9837 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G20 mock treatment -0.116 0.229 0.23 -0.181 0.177 0.16 -0.087 0.16608243902439 0.208223812247349 0.3461 0.9911 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G21 compound treatment 0.291 0.636 0.63 0.078 0.436 0.4 -0.723 -0.46991756097561 -0.589153353979515 0.2578 0.2703 2019361 DHPC8.1_000125 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)OCC=C)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G22 compound treatment 0.16 0.505 0.5 0.809 1.17 1.08 0.075 0.32808243902439 0.411329316852305 1.151 0.9134 3556997 DHPC8.1_000126 COc1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G23 compound treatment -0.31 0.0351 0.03 -0.067 0.291 0.27 -0.104 0.14908243902439 0.186910271640656 0.2834 0.8601 3556739 DHPC8.1_000127 COc1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 G24 compound treatment 0.005 0.35 0.35 -0.189 0.169 0.16 -0.041 0.21208243902439 0.265895745653695 0.4446 0.9562 3556979 DHPC8.1_000128 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCCCC2)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H01 compound treatment -0.646 -0.301 -0.3 -0.481 -0.123 -0.11 -0.289 -0.03591756097561 -0.0450311996674725 -0.2647 -0.8185 3557049 DHPC8.1_000129 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H02 mock treatment 0.213 0.558 0.55 -0.395 -0.0374 -0.03 -0.317 -0.06391756097561 -0.0801358547843785 0.2541 0.4524 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H03 mock treatment 0.113 0.458 0.46 -0.183 0.175 0.16 0.103 0.35608243902439 0.446433971969211 0.614 0.9333 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H04 mock treatment -0.12 0.225 0.22 -0.159 0.199 0.18 -0.078 0.17508243902439 0.219507451392069 0.3621 0.9964 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H05 compound treatment 1.018 1.36 1.34 1.54 1.9 1.4 0.21 0.46308243902439 0.580583904023102 1.918 0.9476 3556944 DHPC8.1_000130 COc1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H06 mock treatment -0.041 0.304 0.3 0.081 0.439 0.41 -0.427 -0.17391756097561 -0.218046999886509 0.2831 0.5136 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H07 compound treatment -0.252 0.0931 0.09 -0.322 0.0356 0.03 -0.043 0.21008243902439 0.263388270288202 0.2245 0.7987 2020308 DHPC8.1_000131 CC(C)[C@H]1C[C@@H](OCCCCO)OC(=C1)C(=O)NCc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H08 mock treatment -0.162 0.183 0.18 0.015 0.373 0.35 -0.067 0.18608243902439 0.233298565902282 0.439 0.9658 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H09 compound treatment -0.299 0.0461 0.05 -0.181 0.177 0.16 -0.187 0.06608243902439 0.082850043972685 0.1687 0.8927 3556994 DHPC8.1_000132 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H10 mock treatment -0.119 0.226 0.22 -0.263 0.0946 0.09 -0.355 -0.10191756097561 -0.127777886728751 0.1066 0.3904 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H11 compound treatment -0.614 -0.269 -0.27 -0.403 -0.0454 -0.04 -0.224 0.02908243902439 0.0364617497110592 -0.1576 -0.577 3556903 DHPC8.1_000133 CC(C)[C@H]1C[C@@H](OCCCCO)OC(=C1)C(=O)Nc2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H12 mock treatment -1.128 -0.783 -0.78 -1.193 -0.835 -0.77 -0.926 -0.67291756097561 -0.843662103577084 -1.3831 -0.9992 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H13 compound treatment -1.092 -0.747 -0.74 -0.627 -0.269 -0.25 -0.177 0.07608243902439 0.0953874208001514 -0.5177 -0.656 3556855 DHPC8.1_000134 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3ccc(cc3)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H14 mock treatment -0.368 -0.0229 -0.02 -0.33 0.0276 0.03 -0.537 -0.28391756097561 -0.35595814498864 -0.2039 -0.5702 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H15 compound treatment -0.026 0.319 0.32 0.027 0.385 0.36 0.084 0.33708243902439 0.422612955997025 0.6327 0.993 3557036 DHPC8.1_000135 COc1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H16 mock treatment -0.179 0.166 0.17 -0.364 -0.00639 -0.01 -0.678 -0.42491756097561 -0.532735158255916 -0.2157 -0.3867 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H17 compound treatment 1.277 1.62 1.42 -0.047 0.311 0.29 0.332 0.58508243902439 0.733539901318192 1.4118 0.8674 3556893 DHPC8.1_000136 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H18 mock treatment -0.523 -0.178 -0.18 0.668 1.03 0.95 -0.327 -0.07391756097561 -0.092673231611845 0.3927 0.4046 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H19 mock treatment 1.406 1.75 1.46 0.15 0.508 0.47 -0.183 0.07008243902439 0.0878649947036716 1.1642 0.7585 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H20 mock treatment 0.531 0.876 0.87 0.317 0.675 0.62 0.127 0.38008243902439 0.476523676355131 1.1386 0.9707 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H21 compound treatment -0.769 -0.424 -0.42 -0.512 -0.154 -0.14 -0.114 0.13908243902439 0.17437289481319 -0.2252 -0.4711 3556789 DHPC8.1_000137 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H22 mock treatment -0.535 -0.19 -0.19 -0.26 0.0976 0.09 -0.671 -0.41791756097561 -0.52395899447669 -0.3593 -0.6369 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H23 compound treatment -0.475 -0.13 -0.13 0.062 0.42 0.39 -0.354 -0.10091756097561 -0.126524149046004 0.0767 0.179 2019849 DHPC8.1_000138 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 H24 mock treatment -0.611 -0.266 -0.26 -0.523 -0.165 -0.15 -0.406 -0.15291756097561 -0.19171850854883 -0.3517 -0.9752 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I01 compound treatment -0.371 -0.0259 -0.03 -0.856 -0.498 -0.46 -0.294 -0.04091756097561 -0.0512998880812057 -0.3109 -0.6686 2020954 DHPC8.1_000139 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I02 compound treatment -0.107 0.238 0.24 -0.733 -0.375 -0.35 -0.339 -0.08591756097561 -0.107718083804805 -0.1262 -0.2908 2019818 DHPC8.1_000140 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccccc6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I03 compound treatment -0.349 -0.00393 0.0 -0.491 -0.133 -0.12 -0.166 0.08708243902439 0.109178535310364 -0.0105 -0.0639 2020414 DHPC8.1_000141 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I04 compound treatment -0.048 0.297 0.3 -0.796 -0.438 -0.41 -0.834 -0.58091756097561 -0.728318236764393 -0.4843 -0.5476 3556987 DHPC8.1_000142 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)C(C)C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I05 mock treatment -0.441 -0.0959 -0.1 -0.496 -0.138 -0.13 -0.436 -0.18291756097561 -0.229330639031229 -0.2615 -0.9355 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I06 mock treatment -0.244 0.101 0.1 -0.147 0.211 0.2 -0.316 -0.06291756097561 -0.0788821171016319 0.1251 0.5364 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I07 compound treatment -0.498 -0.153 -0.15 -0.271 0.0866 0.08 -0.282 -0.02891756097561 -0.036255035888246 -0.0624 -0.3553 2020441 DHPC8.1_000143 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)OCC=C)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I08 compound treatment -0.506 -0.161 -0.16 -0.237 0.121 0.11 -0.296 -0.04291756097561 -0.053807363446699 -0.059 -0.2913 3557003 DHPC8.1_000144 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3ccc(cc3)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I09 compound treatment -0.531 -0.186 -0.18 -0.468 -0.11 -0.1 -0.366 -0.11291756097561 -0.141569001238964 -0.2475 -0.9732 2019253 DHPC8.1_000145 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I10 compound treatment 0.088 0.433 0.43 0.259 0.617 0.57 0.034 0.28708243902439 0.359926071859693 0.786 0.9818 3556993 DHPC8.1_000146 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)Nc3ccccc3)c4ccc5OCOc5c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I11 compound treatment -0.195 0.15 0.15 -0.431 -0.0734 -0.07 -0.279 -0.02591756097561 -0.0324938228400061 0.0281 0.1684 3556703 DHPC8.1_000147 COc1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I12 compound treatment -0.318 0.0271 0.03 -0.3 0.0576 0.05 -0.087 0.16608243902439 0.208223812247349 0.1666 0.7688 2019872 DHPC8.1_000148 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCN(Cc5ccc6OCOc6c5)CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I13 compound treatment -0.259 0.0861 0.09 -1.095 -0.737 -0.68 2.456 2.70908243902439 2.01613586478764 0.8192 0.3845 2020873 DHPC8.1_000149 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I14 compound treatment -0.811 -0.466 -0.46 -1.248 -0.89 -0.82 -0.466 -0.21291756097561 -0.266942769513628 -0.8976 -0.9134 3556847 DHPC8.1_000150 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3ccc(OC)cc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I15 compound treatment -0.367 -0.0219 -0.02 -0.405 -0.0474 -0.04 -0.183 0.07008243902439 0.0878649947036716 0.0128 0.1273 3556735 DHPC8.1_000151 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)OCC=C)c3cccs3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I16 compound treatment -0.059 0.286 0.28 -0.264 0.0936 0.09 0.003 0.25608243902439 0.321060203694547 0.3996 0.9132 3557019 DHPC8.1_000152 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6cccs6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I17 compound treatment -0.535 -0.19 -0.19 -0.551 -0.193 -0.18 -0.726 -0.47291756097561 -0.592914567027755 -0.5547 -0.8567 3556716 DHPC8.1_000153 COc1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I18 compound treatment -0.438 -0.0929 -0.09 -0.803 -0.445 -0.41 -0.699 -0.44591756097561 -0.559063649593596 -0.6142 -0.8764 3557029 DHPC8.1_000154 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc3OCOc3c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I19 compound treatment -0.871 -0.526 -0.52 -0.592 -0.234 -0.22 -0.776 -0.52291756097561 -0.655601451165087 -0.8057 -0.9301 2020981 DHPC8.1_000155 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)OCC=C)c3ccc4OCOc4c3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I20 compound treatment -0.361 -0.0159 -0.02 0.227 0.585 0.54 0.004 0.25708243902439 0.322313941377294 0.4895 0.7767 3639748 DHPC8.1_000156 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I21 mock treatment -0.123 0.222 0.22 -0.495 -0.137 -0.13 -0.765 -0.51191756097561 -0.641810336654874 -0.3165 -0.4584 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I22 mock treatment -0.702 -0.357 -0.35 0.118 0.476 0.44 -0.181 0.07208243902439 0.0903724700691648 0.1016 0.1773 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I23 compound treatment -0.571 -0.226 -0.22 -0.315 0.0426 0.04 -0.066 0.18708243902439 0.234552303585029 0.0285 0.0872 2019388 DHPC8.1_000157 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)OCC=C)c2ccsc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 I24 compound treatment -0.528 -0.183 -0.18 -0.756 -0.398 -0.37 -0.268 -0.01491756097561 -0.0187027083297931 -0.3288 -0.7986 3556942 DHPC8.1_000158 COc1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J01 compound treatment 0.105 0.45 0.45 1.526 1.88 1.4 1.03 1.28308243902439 1.58582646397987 1.9793 0.9168 3556857 DHPC8.1_000159 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)Nc3ccccc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J02 mock treatment -0.465 -0.12 -0.12 -0.539 -0.181 -0.17 -1.183 -0.92991756097561 -1.16587268804297 -0.8389 -0.7086 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J03 compound treatment -0.269 0.0761 0.08 -0.893 -0.535 -0.5 -0.323 -0.06991756097561 -0.0876582808808584 -0.2932 -0.5759 3556332 DHPC8.1_000160 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCCCC2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J04 mock treatment -0.176 0.169 0.17 -0.376 -0.0184 -0.02 0.104 0.35708243902439 0.447687709651958 0.3457 0.7224 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J05 mock treatment -0.361 -0.0159 -0.02 -0.446 -0.0884 -0.08 -0.119 0.13408243902439 0.168104206399457 0.0407 0.2167 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J06 mock treatment -0.093 0.252 0.25 -0.14 0.218 0.2 -0.295 -0.04191756097561 -0.0525536257639524 0.2307 0.708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J07 compound treatment -0.083 0.262 0.26 -0.313 0.0446 0.04 -0.161 0.09208243902439 0.115447223724098 0.2409 0.8367 3639718 DHPC8.1_000161 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccc-6c(Cc7ccccc76)c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J08 mock treatment -0.577 -0.232 -0.23 -0.078 0.28 0.26 -0.522 -0.26891756097561 -0.33715207974744 -0.1783 -0.3687 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J09 compound treatment 0.211 0.556 0.55 -0.364 -0.00639 -0.01 -0.628 -0.37491756097561 -0.470048274118584 0.0444 0.0611 3556660 DHPC8.1_000162 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4csc5ccccc45)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J10 mock treatment -0.689 -0.344 -0.34 -0.756 -0.398 -0.37 0.261 0.51408243902439 0.644524525843181 -0.0383 -0.0468 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J11 compound treatment -0.927 -0.582 -0.58 -1.082 -0.724 -0.67 -0.757 -0.50391756097561 -0.631780435192901 -1.086 -0.9982 3556488 DHPC8.1_000163 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4csc5ccccc45)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J12 mock treatment -0.002 0.343 0.34 -0.215 0.143 0.13 -0.135 0.11808243902439 0.14804440347551 0.3586 0.9089 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J13 compound treatment 0.293 0.638 0.63 0.1 0.458 0.42 -0.054 0.19908243902439 0.249597155777988 0.755 0.9406 2020335 DHPC8.1_000164 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J14 mock treatment -0.087 0.258 0.26 -0.291 0.0666 0.06 -0.236 0.01708243902439 0.0214168975180995 0.1961 0.7407 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J15 compound treatment 0.076 0.421 0.42 -0.094 0.264 0.24 -0.35 -0.09691756097561 -0.121509198315018 0.3125 0.6254 3556851 DHPC8.1_000165 COc1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCN(Cc5ccc6OCOc6c5)CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J16 mock treatment 0.394 0.739 0.73 -0.569 -0.211 -0.2 -0.326 -0.07291756097561 -0.0914194939290983 0.2584 0.3374 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J17 compound treatment 0.056 0.401 0.4 0.049 0.407 0.38 -0.018 0.23508243902439 0.294731712356868 0.6177 0.9922 3556946 DHPC8.1_000166 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2ccc(OC)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J18 mock treatment -0.145 0.2 0.2 -0.592 -0.234 -0.22 -0.612 -0.35891756097561 -0.449988471194638 -0.2703 -0.5026 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J19 compound treatment -0.085 0.26 0.26 0.108 0.466 0.43 0.204 0.45708243902439 0.573061477926622 0.729 0.9564 3556621 DHPC8.1_000167 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCCCC3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J20 mock treatment -0.218 0.127 0.13 -0.715 -0.357 -0.33 -0.508 -0.25491756097561 -0.319599752188987 -0.3026 -0.6344 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J21 mock treatment 0.386 0.731 0.73 -0.064 0.294 0.27 -0.074 0.17908243902439 0.224522402123056 0.7062 0.8742 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J22 mock treatment -0.042 0.303 0.3 -0.306 0.0516 0.05 -0.06 0.19308243902439 0.242074729681509 0.3413 0.8764 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J23 compound treatment -0.294 0.0511 0.05 -0.437 -0.0794 -0.07 -0.66 -0.40691756097561 -0.510167879966477 -0.3077 -0.594 2019336 DHPC8.1_000168 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 J24 mock treatment -0.727 -0.382 -0.38 -0.812 -0.454 -0.42 -0.227 0.02608243902439 0.0327005366628193 -0.4433 -0.7808 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K01 compound treatment -0.098 0.247 0.25 0.322 0.68 0.63 1.484 1.73708243902439 1.77006504288936 1.5271 0.806 2019874 DHPC8.1_000169 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K02 compound treatment -0.465 -0.12 -0.12 -0.292 0.0656 0.06 -0.37 -0.11691756097561 -0.146583951969951 -0.1184 -0.5965 3556977 DHPC8.1_000170 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K03 compound treatment -0.261 0.0841 0.08 0.078 0.436 0.4 1.687 1.94008243902439 1.83430102804814 1.3402 0.7129 3641368 DHPC8.1_000171 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)OCC=C)c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K04 compound treatment -0.271 0.0741 0.07 -0.683 -0.325 -0.3 -0.292 -0.03891756097561 -0.0487924127157124 -0.1596 -0.5084 3557011 DHPC8.1_000172 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K05 compound treatment -0.186 0.159 0.16 0.079 0.437 0.4 -0.515 -0.26191756097561 -0.328375915968214 0.1351 0.2482 2020468 DHPC8.1_000173 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)OCC=C)c2ccsc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K06 compound treatment -0.03 0.315 0.31 0.208 0.566 0.52 0.194 0.44708243902439 0.560524101099156 0.8068 0.9737 3556880 DHPC8.1_000174 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K07 mock treatment -0.195 0.15 0.15 -0.41 -0.0524 -0.05 -0.281 -0.02791756097561 -0.0350012982054994 0.0379 0.2359 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K08 mock treatment -0.228 0.117 0.12 -0.153 0.205 0.19 -0.116 0.13708243902439 0.171865419447697 0.2758 0.9814 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K09 compound treatment -0.051 0.294 0.29 -0.119 0.239 0.22 -0.761 -0.50791756097561 -0.636795385923888 -0.0713 -0.0971 3556729 DHPC8.1_000175 COc1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K10 compound treatment -0.164 0.181 0.18 0.082 0.44 0.41 -0.122 0.13108243902439 0.164342993351217 0.4338 0.9144 3556843 DHPC8.1_000176 COc1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCCCC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K11 compound treatment -0.055 0.29 0.29 -0.011 0.347 0.32 -0.113 0.14008243902439 0.175626632495937 0.4532 0.9728 2019793 DHPC8.1_000177 CC(C)[C@@H]1C[C@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K12 compound treatment -0.31 0.0351 0.03 0.203 0.561 0.52 -0.083 0.17008243902439 0.213238762978336 0.4429 0.7878 3556896 DHPC8.1_000178 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4cccs4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K13 compound treatment -0.274 0.0711 0.07 0.063 0.421 0.39 -0.025 0.22808243902439 0.285955548577641 0.4307 0.8821 2020900 DHPC8.1_000179 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)OCC=C)c3ccccc3)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K14 compound treatment -0.141 0.204 0.2 -0.557 -0.199 -0.18 -0.051 0.20208243902439 0.253358368826228 0.1568 0.42 3638682 DHPC8.1_000180 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K15 mock treatment -0.163 0.182 0.18 -0.274 0.0836 0.08 -0.261 -0.00791756097561003 -0.00992654455056656 0.1435 0.7278 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K16 mock treatment -0.252 0.0931 0.09 -0.313 0.0446 0.04 0.018 0.27108243902439 0.339866268935747 0.2735 0.7712 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K17 compound treatment -0.027 0.318 0.32 0.26 0.618 0.57 -0.396 -0.14291756097561 -0.179181131721363 0.4093 0.604 2020360 DHPC8.1_000181 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)OCC=C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K18 compound treatment 0.065 0.41 0.41 -0.404 -0.0464 -0.04 -0.231 0.02208243902439 0.0276855859318327 0.2266 0.5514 3556872 DHPC8.1_000182 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K19 compound treatment -0.34 0.00507 0.01 -0.134 0.224 0.21 -0.089 0.16408243902439 0.205716336881856 0.2412 0.8263 3639758 DHPC8.1_000183 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)OCC=C)c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K20 compound treatment -0.718 -0.373 -0.37 -0.66 -0.302 -0.28 -0.97 -0.71691756097561 -0.898826561617936 -0.8947 -0.8842 2020979 DHPC8.1_000184 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccc7OCOc7c6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K21 compound treatment 0.014 0.359 0.36 -0.227 0.131 0.12 0.036 0.28908243902439 0.362433547225186 0.4852 0.9279 3556742 DHPC8.1_000185 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)OCC=C)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K22 compound treatment 0.454 0.799 0.79 0.232 0.59 0.55 0.265 0.51808243902439 0.649539476574167 1.1489 0.9884 3556630 DHPC8.1_000186 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCCCC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K23 mock treatment -0.216 0.129 0.13 -0.269 0.0886 0.08 -0.126 0.12708243902439 0.15932804262023 0.2134 0.9684 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 K24 mock treatment -0.145 0.2 0.2 -0.064 0.294 0.27 -0.001 0.25208243902439 0.31604525296356 0.4543 0.9835 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L01 compound treatment -0.747 -0.402 -0.4 -0.68 -0.322 -0.3 -0.287 -0.03391756097561 -0.0425237243019792 -0.4276 -0.8542 3557053 DHPC8.1_000187 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5cccs5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L02 mock treatment -0.036 0.309 0.31 -0.189 0.169 0.16 -0.216 0.03708243902439 0.0464916511730324 0.2944 0.8465 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L03 compound treatment -0.302 0.0431 0.04 0.167 0.525 0.49 -0.454 -0.20091756097561 -0.251897917320669 0.1597 0.291 3556907 DHPC8.1_000188 CC(C)[C@H]1C[C@@H](OCCCCO)OC(=C1)C(=O)N2CCCCC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L04 mock treatment -0.079 0.266 0.26 -0.546 -0.188 -0.17 -0.144 0.10908243902439 0.136760764330791 0.131 0.3795 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L05 compound treatment -0.141 0.204 0.2 0.105 0.463 0.43 0.128 0.38108243902439 0.477777414037877 0.6403 0.9514 3641352 DHPC8.1_000189 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L06 mock treatment -0.714 -0.369 -0.37 -0.929 -0.571 -0.53 -1.011 -0.75791756097561 -0.950229806610548 -1.0658 -0.9286 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L07 mock treatment -0.082 0.263 0.26 -0.107 0.251 0.23 -0.278 -0.02491756097561 -0.0312400851572595 0.2669 0.7604 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L08 mock treatment 0.242 0.587 0.58 0.133 0.491 0.45 -0.104 0.14908243902439 0.186910271640656 0.7072 0.927 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L09 compound treatment 0.048 0.393 0.39 -0.196 0.162 0.15 -0.147 0.10608243902439 0.132999551282551 0.3888 0.8855 2020443 DHPC8.1_000190 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc2ccccc2)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L10 mock treatment -0.329 0.0161 0.02 0.11 0.468 0.43 0.337 0.59008243902439 0.739808589731926 0.6863 0.8005 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L11 compound treatment -0.276 0.0691 0.07 -0.383 -0.0254 -0.02 -0.141 0.11208243902439 0.140521977379031 0.1072 0.6778 3638704 DHPC8.1_000191 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)Nc3ccccc3)c4ccc-5c(Cc6ccccc65)c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L12 mock treatment -0.091 0.254 0.25 -0.197 0.161 0.15 -0.165 0.08808243902439 0.110432272993111 0.2954 0.9432 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L13 compound treatment 0.289 0.634 0.63 0.183 0.541 0.5 0.431 0.68408243902439 0.85765993191011 1.1481 0.9761 3556998 DHPC8.1_000192 COc1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCCCC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L14 mock treatment -0.663 -0.318 -0.32 -0.314 0.0436 0.04 -0.458 -0.20491756097561 -0.256912868051655 -0.3075 -0.7513 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L15 mock treatment -0.181 0.164 0.16 0.021 0.379 0.35 -0.081 0.17208243902439 0.215746238343829 0.4211 0.9511 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L16 mock treatment 0.148 0.493 0.49 -0.075 0.283 0.26 0.131 0.38408243902439 0.481538627086117 0.7121 0.9685 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L17 compound treatment -0.304 0.0411 0.04 -0.373 -0.0154 -0.01 -0.251 0.00208243902438998 0.00261083227689987 0.0169 0.389 3639752 DHPC8.1_000193 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L18 mock treatment -0.348 -0.00293 0.0 -0.733 -0.375 -0.35 -0.594 -0.34091756097561 -0.427421192905198 -0.4491 -0.8152 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L19 compound treatment -0.726 -0.381 -0.38 -0.731 -0.373 -0.35 -0.679 -0.42591756097561 -0.533988895938663 -0.7266 -0.9814 2019903 DHPC8.1_000194 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4ccsc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L20 mock treatment -0.968 -0.623 -0.62 -0.869 -0.511 -0.47 -1.147 -0.89391756097561 -1.12073813146409 -1.278 -0.9361 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L21 compound treatment -0.002 0.343 0.34 0.237 0.595 0.55 -0.151 0.10208243902439 0.127984600551564 0.5887 0.8917 3557046 DHPC8.1_000195 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L22 mock treatment 0.073 0.418 0.42 -0.013 0.345 0.32 -0.184 0.06908243902439 0.0866112570209249 0.4742 0.8929 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L23 mock treatment -0.775 -0.43 -0.43 -0.216 0.142 0.13 -0.154 0.09908243902439 0.124223387503324 -0.0994 -0.2141 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 L24 mock treatment -0.592 -0.247 -0.25 -0.22 0.138 0.13 -0.452 -0.19891756097561 -0.249390441955175 -0.2122 -0.5697 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M01 compound treatment -0.213 0.132 0.13 -0.747 -0.389 -0.36 -0.604 -0.35091756097561 -0.439958569732665 -0.3864 -0.6618 2020333 DHPC8.1_000196 CC(C)[C@H]1C[C@@H](OCCCCO)OC(=C1)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M02 compound treatment -0.391 -0.0459 -0.05 -0.181 0.177 0.16 -0.331 -0.07791756097561 -0.0976881823428315 0.0116 0.0595 3640842 DHPC8.1_000197 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4ccc-5c(Cc6ccccc65)c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M03 compound treatment -0.366 -0.0209 -0.02 -0.362 -0.00439 0.0 -0.072 0.18108243902439 0.227029877488549 0.1167 0.5119 2019280 DHPC8.1_000198 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)OCC=C)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M04 compound treatment 0.101 0.446 0.44 0.098 0.456 0.42 -0.28 -0.02691756097561 -0.0337475605227528 0.4801 0.7832 3556983 DHPC8.1_000199 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5cccs5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M05 compound treatment -0.209 0.136 0.14 -0.357 6.1E-4 0.0 -0.501 -0.24791756097561 -0.310823588409761 -0.101 -0.298 3556596 DHPC8.1_000200 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)OCC=C)c2csc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M06 compound treatment 0.076 0.421 0.42 -0.359 -0.00139 0.0 -0.549 -0.29591756097561 -0.3710029971816 0.0267 0.0478 2020466 DHPC8.1_000201 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccsc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M07 compound treatment 1.568 1.91 1.5 2.371 2.73 1.54 5.103 5.35608243902439 2.32319724760072 3.0925 0.978 2019334 DHPC8.1_000202 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)OCC=C 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M08 compound treatment -0.443 -0.0979 -0.1 -0.3 0.0576 0.05 -0.472 -0.21891756097561 -0.274465195610108 -0.1839 -0.6211 3557045 DHPC8.1_000203 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccsc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M09 mock treatment -0.482 -0.137 -0.14 -0.513 -0.155 -0.14 -0.176 0.07708243902439 0.0966411584828981 -0.1059 -0.4804 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M10 mock treatment -0.549 -0.204 -0.2 -0.567 -0.209 -0.19 -0.266 -0.01291756097561 -0.0161952329642998 -0.2383 -0.8482 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M11 compound treatment -0.083 0.262 0.26 -0.459 -0.101 -0.09 -0.13 0.12308243902439 0.154313091889244 0.1853 0.5845 3556721 DHPC8.1_000204 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)OCC=C)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M12 compound treatment -0.596 -0.251 -0.25 -0.199 0.159 0.15 -0.016 0.23708243902439 0.297239187722361 0.1124 0.2708 2019926 DHPC8.1_000205 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccsc6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M13 mock treatment -0.045 0.3 0.3 -0.1 0.258 0.24 -0.388 -0.13491756097561 -0.16915123025939 0.2123 0.5082 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M14 mock treatment -0.402 -0.0569 -0.06 -0.419 -0.0614 -0.06 -0.172 0.08108243902439 0.101656109213885 -0.0068 -0.0526 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M15 compound treatment -0.489 -0.144 -0.14 -0.173 0.185 0.17 -0.255 -0.00191756097561002 -0.0024041184540867 0.0147 0.0659 3556344 DHPC8.1_000206 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)OCC=C)c2csc3ccccc23 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M16 compound treatment -0.257 0.0881 0.09 0.009 0.367 0.34 0.147 0.40008243902439 0.501598430010064 0.5361 0.8761 2019278 DHPC8.1_000207 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccccc5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M17 compound treatment -0.317 0.0281 0.03 -0.54 -0.182 -0.17 -0.593 -0.33991756097561 -0.426167455222452 -0.3274 -0.713 3556849 DHPC8.1_000208 COc1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M18 compound treatment -0.202 0.143 0.14 -0.282 0.0756 0.07 -0.426 -0.17291756097561 -0.216793262203763 -0.0026 -0.0098 3556358 DHPC8.1_000209 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc2ccccc2)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M19 compound treatment -0.721 -0.376 -0.37 -0.6 -0.242 -0.22 -0.427 -0.17391756097561 -0.218046999886509 -0.4712 -0.9668 2019768 DHPC8.1_000210 CC(C)[C@@H]1C[C@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)NCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M20 compound treatment -0.439 -0.0939 -0.09 -0.588 -0.23 -0.21 -0.524 -0.27091756097561 -0.339659555112934 -0.3732 -0.9062 3557035 DHPC8.1_000211 COc1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M21 compound treatment -0.873 -0.528 -0.52 -0.993 -0.635 -0.59 -0.657 -0.40391756097561 -0.506406666918237 -0.9351 -0.9979 3640840 DHPC8.1_000212 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)Nc3ccccc3)c4ccc-5c(Cc6ccccc65)c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M22 compound treatment -1.528 -1.18 -1.18 -1.65 -1.29 -1.2 -0.78 -0.52691756097561 -0.660616401896074 -1.7513 -0.9712 3557039 DHPC8.1_000213 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M23 compound treatment -1.106 -0.761 -0.76 -1.168 -0.81 -0.75 -0.325 -0.07191756097561 -0.0901657562463517 -0.9221 -0.8623 2020956 DHPC8.1_000214 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4ccc5OCOc5c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 M24 compound treatment 0.252 0.597 0.59 0.352 0.71 0.66 0.22 0.47308243902439 0.593121280850568 1.0645 0.9988 3557034 DHPC8.1_000215 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc(OC)cc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N01 compound treatment -0.667 -0.322 -0.32 -1.03 -0.672 -0.62 -0.543 -0.28991756097561 -0.36348057108512 -0.7541 -0.956 3557012 DHPC8.1_000216 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)Nc3ccccc3)c4csc5ccccc45)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N02 mock treatment -0.625 -0.28 -0.28 -0.183 0.175 0.16 -0.637 -0.38391756097561 -0.481331913263304 -0.3452 -0.5962 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N03 compound treatment 0.498 0.843 0.84 0.163 0.521 0.48 -0.408 -0.15491756097561 -0.194225983914323 0.6501 0.6592 2020848 DHPC8.1_000217 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)NCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N04 mock treatment -0.442 -0.0969 -0.1 -0.413 -0.0554 -0.05 -0.609 -0.35591756097561 -0.446227258146398 -0.3429 -0.7464 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N05 compound treatment -0.038 0.307 0.31 -0.149 0.209 0.19 0.028 0.28108243902439 0.352403645763213 0.4912 0.9734 3556985 DHPC8.1_000218 CC(C)[C@@H]1C[C@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N06 mock treatment -0.323 0.0221 0.02 -1.284 -0.926 -0.86 -1.307 -1.05391756097561 -1.32133616070355 -1.2455 -0.7905 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N07 compound treatment 0.113 0.458 0.46 0.199 0.557 0.52 0.412 0.66508243902439 0.833838915937924 1.0419 0.9639 3556931 DHPC8.1_000219 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N08 mock treatment -0.135 0.21 0.21 -0.337 0.0206 0.02 0.252 0.50508243902439 0.633240886698461 0.4972 0.7453 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N09 mock treatment 0.772 1.12 1.11 0.173 0.531 0.49 0.291 0.54408243902439 0.68213665632558 1.3187 0.9467 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N10 mock treatment -0.033 0.312 0.31 -0.294 0.0636 0.06 0.179 0.43208243902439 0.541718035857956 0.5259 0.8387 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N11 compound treatment -0.787 -0.442 -0.44 -0.866 -0.508 -0.47 -0.323 -0.06991756097561 -0.0876582808808584 -0.5761 -0.8864 3557018 DHPC8.1_000220 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4cccs4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N12 mock treatment -0.808 -0.463 -0.46 -1.131 -0.773 -0.72 -0.413 -0.15991756097561 -0.200494672328056 -0.7949 -0.909 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N13 mock treatment -1.201 -0.856 -0.85 -0.258 0.0996 0.09 -0.316 -0.06291756097561 -0.0788821171016319 -0.4836 -0.5626 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N14 mock treatment -0.069 0.276 0.27 0.109 0.467 0.43 -0.532 -0.27891756097561 -0.349689456574907 0.206 0.3323 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N15 compound treatment -0.709 -0.364 -0.36 -0.487 -0.129 -0.12 -0.874 -0.62091756097561 -0.778467744074258 -0.7275 -0.8393 3557010 DHPC8.1_000221 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCCCC3)c4ccsc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N16 mock treatment -0.358 -0.0129 -0.01 -1.499 -1.14 -1.06 -1.156 -0.90291756097561 -1.13202177060881 -1.2712 -0.8208 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N17 compound treatment -0.561 -0.216 -0.21 -1.784 -1.43 -1.32 -1.761 -1.50791756097561 -1.89053306867053 -1.978 -0.854 3557051 DHPC8.1_000222 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N18 mock treatment -0.191 0.154 0.15 -1.391 -1.03 -0.96 -1.666 -1.41291756097561 -1.7714279888096 -1.4867 -0.7363 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N19 compound treatment 0.065 0.41 0.41 0.263 0.621 0.57 0.648 0.90108243902439 1.12972100906613 1.2194 0.9159 3638664 DHPC8.1_000223 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCCCC3)c4ccc-5c(Cc6ccccc65)c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N20 mock treatment -0.561 -0.216 -0.21 -0.66 -0.302 -0.28 -0.414 -0.16091756097561 -0.201748410010803 -0.4021 -0.9893 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N21 compound treatment -0.079 0.266 0.26 -0.757 -0.399 -0.37 -0.677 -0.42391756097561 -0.53148142057317 -0.3676 -0.5256 2020952 DHPC8.1_000224 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCN(Cc5ccc6OCOc6c5)CC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N22 mock treatment -0.856 -0.511 -0.51 -1.632 -1.27 -1.18 -0.917 -0.66391756097561 -0.832378464432364 -1.4551 -0.9506 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N23 compound treatment 0.789 1.13 1.13 0.296 0.654 0.61 0.236 0.48908243902439 0.613181083774515 1.3544 0.9545 3556827 DHPC8.1_000225 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 N24 mock treatment -0.719 -0.374 -0.37 -0.732 -0.374 -0.35 -0.382 -0.12891756097561 -0.16162880416291 -0.5081 -0.9526 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O01 compound treatment -0.321 0.0241 0.02 -1.261 -0.903 -0.84 0.262 0.51508243902439 0.645778263525927 -0.0963 -0.0911 3557000 DHPC8.1_000226 COc1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O02 compound treatment 0.887 1.23 1.22 0.421 0.779 0.72 0.407 0.66008243902439 0.827570227524191 1.6012 0.9736 3557028 DHPC8.1_000227 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2)c3ccc4OCOc4c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O03 compound treatment -0.228 0.117 0.12 -0.871 -0.513 -0.48 -0.457 -0.20391756097561 -0.255659130368908 -0.3549 -0.6427 3556890 DHPC8.1_000228 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCCCC3)c4cccs4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O04 compound treatment -0.312 0.0331 0.03 -0.674 -0.316 -0.29 -0.487 -0.23391756097561 -0.293271260851308 -0.3195 -0.7683 3557013 DHPC8.1_000229 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O05 compound treatment -0.728 -0.383 -0.38 -1.072 -0.714 -0.66 -1.136 -0.88291756097561 -1.10694701695388 -1.2408 -0.9228 3556591 DHPC8.1_000230 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O06 compound treatment -0.179 0.166 0.17 -0.427 -0.0694 -0.06 -0.229 0.02408243902439 0.030193061297326 0.0757 0.421 2019359 DHPC8.1_000231 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c5ccc6OCOc6c5 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O07 compound treatment -0.425 -0.0799 -0.08 -0.226 0.132 0.12 -0.507 -0.25391756097561 -0.318346014506241 -0.1593 -0.4552 3557037 DHPC8.1_000232 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O08 compound treatment -0.155 0.19 0.19 -0.725 -0.367 -0.34 -0.45 -0.19691756097561 -0.246882966589682 -0.2298 -0.4988 3556948 DHPC8.1_000233 COc1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O09 compound treatment -0.103 0.242 0.24 -0.106 0.252 0.23 -0.209 0.04408243902439 0.0552678149522589 0.3054 0.8995 2019876 DHPC8.1_000234 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4ccc5OCOc5c4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O10 compound treatment -1.067 -0.722 -0.72 0.007 0.365 0.34 0.234 0.48708243902439 0.610673608409021 0.1331 0.133 3556311 DHPC8.1_000235 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCCCC2)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O11 mock treatment -0.327 0.0181 0.02 -0.202 0.156 0.14 -0.2 0.05308243902439 0.0665514540969786 0.132 0.8263 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O12 mock treatment -0.622 -0.277 -0.28 -0.415 -0.0574 -0.05 -0.291 -0.03791756097561 -0.0475386750329658 -0.2171 -0.7633 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O13 compound treatment -0.251 0.0941 0.09 -0.127 0.231 0.21 -0.839 -0.58591756097561 -0.734586925178126 -0.2468 -0.3203 3640825 DHPC8.1_000236 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccc-7c(Cc8ccccc87)c6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O14 compound treatment 0.188 0.533 0.53 -0.037 0.321 0.3 0.625 0.87808243902439 1.10088504236296 1.113 0.8852 3556326 DHPC8.1_000237 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)N3CCCCC3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O15 compound treatment -0.159 0.186 0.18 -0.436 -0.0784 -0.07 -0.117 0.13608243902439 0.17061168176495 0.1634 0.6239 2019251 DHPC8.1_000238 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O16 compound treatment -0.284 0.0611 0.06 -0.082 0.276 0.26 -0.329 -0.07591756097561 -0.0951807069773382 0.1274 0.4567 3556958 DHPC8.1_000239 CNC(=O)C1=C[C@H](C[C@@H](OCCCCO)O1)c2ccccc2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O17 compound treatment -0.433 -0.0879 -0.09 -0.209 0.149 0.14 -0.869 -0.61591756097561 -0.772199055660525 -0.4169 -0.5282 2019795 DHPC8.1_000240 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O18 compound treatment 0.545 0.89 0.88 0.053 0.411 0.38 0.139 0.39208243902439 0.49156852854809 1.0142 0.938 3556884 DHPC8.1_000241 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6csc7ccccc67)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O19 compound treatment 1.848 2.19 1.56 3.013 3.37 1.61 0.937 1.19008243902439 1.49205119937991 2.6877 0.9995 3557009 DHPC8.1_000242 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)Nc3ccccc3)c4ccsc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O20 compound treatment 0.291 0.636 0.63 0.209 0.567 0.52 0.089 0.34208243902439 0.428881644410758 0.9156 0.9879 3556869 DHPC8.1_000243 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCCCC3)c4ccsc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O21 compound treatment -0.624 -0.279 -0.28 -0.229 0.129 0.12 -0.738 -0.48491756097561 -0.607959419220715 -0.4424 -0.6517 2020929 DHPC8.1_000244 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O22 compound treatment 0.132 0.477 0.47 -0.492 -0.134 -0.12 -0.021 0.23208243902439 0.290970499308628 0.37 0.6489 3556441 DHPC8.1_000245 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCCCC4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O23 compound treatment 0.928 1.27 1.27 -0.055 0.303 0.28 -0.097 0.15608243902439 0.195686435419883 1.0055 0.767 3557050 DHPC8.1_000246 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCC2)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 O24 compound treatment -0.379 -0.0339 -0.03 -0.308 0.0496 0.05 -0.195 0.05808243902439 0.0728201425107118 0.0491 0.5308 3557038 DHPC8.1_000247 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc(cc2)C(=O)OC 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P01 compound treatment -0.115 0.23 0.23 -0.247 0.111 0.1 1.247 1.50008243902439 1.6821806663319 1.1624 0.6835 2020875 DHPC8.1_000248 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P02 mock treatment 0.109 0.454 0.45 -0.61 -0.252 -0.23 -0.166 0.08708243902439 0.109178535310364 0.1887 0.363 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P03 compound treatment -0.274 0.0711 0.07 -0.484 -0.126 -0.12 -0.373 -0.11991756097561 -0.15034516501819 -0.1136 -0.5589 3557005 DHPC8.1_000249 CNC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P04 mock treatment -0.802 -0.457 -0.45 -0.086 0.272 0.25 -0.016 0.23708243902439 0.297239187722361 0.0545 0.0912 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P05 compound treatment 1.111 1.46 1.37 -0.094 0.264 0.24 -0.1 0.15308243902439 0.191925222371643 1.0453 0.7418 3556853 DHPC8.1_000250 COC(=O)c1ccc(cc1)[C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc4ccccc4 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P06 mock treatment -0.532 -0.187 -0.19 -0.981 -0.623 -0.58 -0.599 -0.34591756097561 -0.433689881318932 -0.6909 -0.9268 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P07 compound treatment 0.001 0.346 0.34 3.737 4.09 1.67 3.559 3.81208243902439 2.1809636528935 2.421 0.8749 3556603 DHPC8.1_000251 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCC2)c3csc4ccccc34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P08 mock treatment -0.697 -0.352 -0.35 -0.265 0.0926 0.09 -0.756 -0.50291756097561 -0.630526697510154 -0.5165 -0.7113 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P09 compound treatment -0.823 -0.478 -0.48 -0.391 -0.0334 -0.03 -0.746 -0.49291756097561 -0.617989320682688 -0.649 -0.8319 3556967 DHPC8.1_000252 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCCCC2)c3ccsc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P10 mock treatment -1.228 -0.883 -0.88 -0.245 0.113 0.1 -0.31 -0.05691756097561 -0.071359691005152 -0.4878 -0.55 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P11 mock treatment -0.181 0.164 0.16 0.115 0.473 0.44 -0.138 0.11508243902439 0.14428319042727 0.4301 0.88 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P12 mock treatment -0.029 0.316 0.31 -0.28 0.0776 0.07 0.201 0.45408243902439 0.569300264878382 0.5516 0.8431 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P13 compound treatment -0.102 0.243 0.24 -0.02 0.338 0.31 -0.25 0.00308243902438998 0.00386456995964652 0.3222 0.8155 2023656 DHPC8.1_000253 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc2ccccc2)c3cccs3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P14 mock treatment -0.719 -0.374 -0.37 -0.458 -0.1 -0.09 -0.191 0.06208243902439 0.0778350932416984 -0.2234 -0.5712 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P15 compound treatment -0.118 0.227 0.23 -0.055 0.303 0.28 -0.07 0.18308243902439 0.229537352854042 0.4246 0.9949 3641343 DHPC8.1_000254 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCCCC2)c3ccc-4c(Cc5ccccc54)c3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P16 mock treatment -0.622 -0.277 -0.28 -0.35 0.00761 0.01 -0.501 -0.24791756097561 -0.310823588409761 -0.3343 -0.8051 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P17 compound treatment -0.346 -9.34E-4 0.0 -0.798 -0.44 -0.41 -0.661 -0.40791756097561 -0.511421617649223 -0.5312 -0.8122 2021006 DHPC8.1_000255 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccsc6)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P18 mock treatment -0.245 0.1 0.1 0.056 0.414 0.38 -0.426 -0.17291756097561 -0.216793262203763 0.1534 0.34 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P19 compound treatment -0.676 -0.331 -0.33 -0.691 -0.333 -0.31 -0.651 -0.39791756097561 -0.498884240821757 -0.6562 -0.9756 3556431 DHPC8.1_000256 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCCCC3)c4ccccc4)cc1 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P20 mock treatment -0.634 -0.289 -0.29 -1.153 -0.795 -0.74 -1.116 -0.86291756097561 -1.08187226329895 -1.2157 -0.9073 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P21 compound treatment -0.553 -0.208 -0.21 -0.425 -0.0674 -0.06 -0.483 -0.22991756097561 -0.288256310120321 -0.3218 -0.8935 3556859 DHPC8.1_000257 CNC(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)c3ccccc3 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P22 mock treatment 0.016 0.361 0.36 -0.232 0.126 0.12 -0.11 0.14308243902439 0.179387845544176 0.378 0.9046 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P23 compound treatment -0.543 -0.198 -0.2 -0.109 0.249 0.23 -0.33 -0.07691756097561 -0.0964344446600849 -0.0364 -0.1145 3639726 DHPC8.1_000258 CNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc-3c(Cc4ccccc43)c2 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2402 P24 mock treatment 5.129 5.47 1.88 2.35 2.71 1.53 0.634 0.88708243902439 1.11216868150768 2.6098 0.9792 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A01 compound treatment 1.295 1.64 1.43 2.72 3.08 1.58 0.39 0.64308243902439 0.806256686917498 2.2013 0.9671 DHPC8.2_000001 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A02 compound treatment -0.784 -0.439 -0.44 -0.722 -0.364 -0.34 -0.648 -0.39491756097561 -0.495123027773517 -0.7326 -0.9884 DHPC8.2_000002 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A03 compound treatment 0.206 0.551 0.55 -0.077 0.281 0.26 -0.037 0.21608243902439 0.270910696384681 0.6227 0.9377 DHPC8.2_000003 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A04 compound treatment -0.158 0.187 0.19 0.543 0.901 0.83 0.377 0.63008243902439 0.789958097041791 1.0449 0.898 DHPC8.2_000004 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A05 compound treatment 3.643 3.99 1.78 0.159 0.517 0.48 4.376 4.62908243902439 2.26479791235583 2.6104 0.8943 DHPC8.2_000005 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A06 compound treatment -0.427 -0.0819 -0.08 -0.635 -0.277 -0.26 -0.604 -0.35091756097561 -0.439958569732665 -0.4493 -0.8709 DHPC8.2_000006 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A07 compound treatment -0.869 -0.524 -0.52 -0.452 -0.0944 -0.09 -0.478 -0.22491756097561 -0.281987621706588 -0.514 -0.8585 DHPC8.2_000007 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A08 compound treatment -0.61 -0.265 -0.26 -0.356 0.00161 0.0 -0.329 -0.07591756097561 -0.0951807069773382 -0.2062 -0.7361 DHPC8.2_000008 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A09 compound treatment -0.079 0.266 0.26 -0.956 -0.598 -0.55 -0.617 -0.36391756097561 -0.456257159608371 -0.4306 -0.5629 DHPC8.2_000009 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A10 compound treatment 0.016 0.361 0.36 -0.731 -0.373 -0.35 0.071 0.32408243902439 0.406314366121319 0.2422 0.3767 DHPC8.2_000010 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A11 compound treatment 0.513 0.858 0.85 0.171 0.529 0.49 0.226 0.47908243902439 0.600643706947048 1.1219 0.9735 DHPC8.2_000011 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A12 compound treatment 2.73 3.08 1.69 0.004 0.362 0.33 -0.053 0.20008243902439 0.250850893460735 1.3126 0.7548 DHPC8.2_000012 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A13 mock treatment -0.292 0.0531 0.05 -0.774 -0.416 -0.39 -0.125 0.12808243902439 0.160581780302977 -0.0994 -0.2362 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A14 mock treatment -0.451 -0.106 -0.11 -0.453 -0.0954 -0.09 -0.518 -0.26491756097561 -0.332137129016454 -0.3036 -0.8445 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A15 compound treatment -0.175 0.17 0.17 0.23 0.588 0.54 0.124 0.37708243902439 0.472762463306891 0.6847 0.9248 DHPC8.2_000013 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A16 compound treatment -0.276 0.0691 0.07 0.071 0.429 0.4 0.294 0.54708243902439 0.68589786937382 0.6648 0.8358 DHPC8.2_000014 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A17 compound treatment -0.157 0.188 0.19 -0.024 0.334 0.31 -0.351 -0.09791756097561 -0.122762935997764 0.2154 0.5648 DHPC8.2_000015 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A18 compound treatment 0.102 0.447 0.44 0.027 0.385 0.36 -0.168 0.08508243902439 0.106671059944871 0.5238 0.904 DHPC8.2_000016 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A19 compound treatment 1.787 2.13 1.54 0.657 1.01 0.94 0.513 0.76608243902439 0.960466421895335 1.9882 0.9715 DHPC8.2_000017 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A20 compound treatment 0.103 0.448 0.45 0.162 0.52 0.48 0.299 0.55208243902439 0.692166557787553 0.9346 0.9802 DHPC8.2_000018 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A21 compound treatment -0.341 0.00407 0.0 -0.239 0.119 0.11 -0.233 0.02008243902439 0.0251781105663394 0.0803 0.712 DHPC8.2_000019 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A22 compound treatment -0.376 -0.0309 -0.03 -0.653 -0.295 -0.27 -0.55 -0.29691756097561 -0.372256734864346 -0.3906 -0.8437 DHPC8.2_000020 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A23 compound treatment 0.67 1.02 1.01 0.958 1.32 1.22 0.582 0.83508243902439 1.04697432200485 1.8904 0.9965 DHPC8.2_000021 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 A24 compound treatment 1.934 2.28 1.57 1.818 2.18 1.45 0.011 0.26408243902439 0.33109010515652 1.9367 0.8946 DHPC8.2_000022 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B01 mock treatment -0.852 -0.507 -0.5 -0.583 -0.225 -0.21 -0.233 0.02008243902439 0.0251781105663394 -0.3969 -0.7269 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B02 mock treatment -0.398 -0.0529 -0.05 -0.16 0.198 0.18 -0.435 -0.18191756097561 -0.228076901348482 -0.0564 -0.1899 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B03 mock treatment -0.298 0.0471 0.05 -0.236 0.122 0.11 -0.289 -0.03591756097561 -0.0450311996674725 0.066 0.508 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B04 mock treatment -0.164 0.181 0.18 -0.325 0.0326 0.03 -0.086 0.16708243902439 0.209477549930096 0.2423 0.8721 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B05 mock treatment 0.274 0.619 0.62 -0.169 0.189 0.17 -0.161 0.09208243902439 0.115447223724098 0.5228 0.8042 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B06 mock treatment -0.109 0.236 0.23 -0.056 0.302 0.28 -0.287 -0.03391756097561 -0.0425237243019792 0.2722 0.7411 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B07 mock treatment -0.153 0.192 0.19 0.056 0.414 0.38 -0.177 0.07608243902439 0.0953874208001514 0.3864 0.8814 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B08 mock treatment -0.17 0.175 0.17 -0.114 0.244 0.23 -0.122 0.13108243902439 0.164342993351217 0.3256 0.9899 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B09 mock treatment 0.441 0.786 0.78 0.331 0.689 0.64 0.487 0.74008243902439 0.927869242143922 1.355 0.9887 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B10 mock treatment -0.132 0.213 0.21 -0.708 -0.35 -0.32 -0.309 -0.05591756097561 -0.0701059533224054 -0.1055 -0.2679 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B11 mock treatment -0.02 0.325 0.32 -0.225 0.133 0.12 -0.041 0.21208243902439 0.265895745653695 0.411 0.9423 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B12 mock treatment 0.04 0.385 0.38 0.042 0.4 0.37 -0.065 0.18808243902439 0.235806041267775 0.5708 0.9802 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B13 mock treatment -0.439 -0.0939 -0.09 -0.127 0.231 0.21 -0.056 0.19708243902439 0.247089680412495 0.212 0.6242 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B14 mock treatment -0.245 0.1 0.1 -0.543 -0.185 -0.17 -0.29 -0.03691756097561 -0.0462849373502192 -0.0684 -0.3357 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B15 mock treatment 0.127 0.472 0.47 -0.26 0.0976 0.09 -0.229 0.02408243902439 0.030193061297326 0.3406 0.7112 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B16 mock treatment -0.295 0.0501 0.05 -0.53 -0.172 -0.16 -0.18 0.07308243902439 0.0916262077519115 -0.0105 -0.0552 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B17 mock treatment -0.379 -0.0339 -0.03 -0.497 -0.139 -0.13 -0.447 -0.19391756097561 -0.243121753541442 -0.2344 -0.8451 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B18 mock treatment 0.067 0.412 0.41 -0.115 0.243 0.22 -0.292 -0.03891756097561 -0.0487924127157124 0.338 0.7196 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B19 mock treatment -0.312 0.0331 0.03 -0.237 0.121 0.11 0.083 0.33608243902439 0.421359218314278 0.3267 0.7474 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B20 mock treatment 0.097 0.442 0.44 -0.446 -0.0884 -0.08 -0.187 0.06608243902439 0.082850043972685 0.2543 0.5594 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B21 mock treatment -0.214 0.131 0.13 -0.035 0.323 0.3 -0.129 0.12408243902439 0.15556682957199 0.3375 0.9346 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B22 mock treatment -0.108 0.237 0.24 -0.406 -0.0484 -0.04 -0.251 0.00208243902438998 0.00261083227689987 0.1117 0.4656 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B23 mock treatment -0.111 0.234 0.23 0.049 0.407 0.38 -0.01 0.24308243902439 0.304761613818841 0.5277 0.9819 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 B24 mock treatment -0.213 0.132 0.13 -0.16 0.198 0.18 -0.23 0.02308243902439 0.0289393236145793 0.1982 0.8727 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C01 compound treatment 1.009 1.35 1.34 0.301 0.659 0.61 0.22 0.47308243902439 0.593121280850568 1.4684 0.9249 DHPC8.2_000023 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C02 compound treatment 0.099 0.444 0.44 -0.614 -0.256 -0.24 -0.647 -0.39391756097561 -0.49386929009077 -0.1673 -0.2378 DHPC8.2_000024 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C03 compound treatment -0.275 0.0701 0.07 -0.492 -0.134 -0.12 -0.037 0.21608243902439 0.270910696384681 0.1248 0.4076 DHPC8.2_000025 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C04 compound treatment 0.56 0.905 0.9 0.077 0.435 0.4 -0.451 -0.19791756097561 -0.248136704272429 0.6086 0.5987 DHPC8.2_000026 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C05 compound treatment -0.436 -0.0909 -0.09 -1.217 -0.859 -0.8 -0.345 -0.09191756097561 -0.115240509901284 -0.5782 -0.7146 DHPC8.2_000027 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C06 compound treatment 0.239 0.584 0.58 -0.088 0.27 0.25 -0.323 -0.06991756097561 -0.0876582808808584 0.4288 0.6719 DHPC8.2_000028 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C07 compound treatment -0.089 0.256 0.25 -0.4 -0.0424 -0.04 -0.365 -0.11191756097561 -0.140315263556217 0.0433 0.1476 DHPC8.2_000029 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C08 compound treatment -0.387 -0.0419 -0.04 -0.49 -0.132 -0.12 -0.68 -0.42691756097561 -0.53524263362141 -0.4039 -0.7334 DHPC8.2_000030 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C09 compound treatment -0.448 -0.103 -0.1 0.043 0.401 0.37 0.024 0.27708243902439 0.347388695032227 0.3556 0.686 DHPC8.2_000031 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C10 compound treatment 0.035 0.38 0.38 -0.626 -0.268 -0.25 -0.062 0.19108243902439 0.239567254316015 0.213 0.4162 DHPC8.2_000032 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C11 mock treatment -0.358 -0.0129 -0.01 -0.258 0.0996 0.09 0.011 0.26408243902439 0.33109010515652 0.237 0.689 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C12 mock treatment -0.358 -0.0129 -0.01 -0.072 0.286 0.26 -0.024 0.22908243902439 0.287209286260388 0.3111 0.7964 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C13 compound treatment -0.686 -0.341 -0.34 -1.465 -1.11 -1.03 -0.486 -0.23291756097561 -0.292017523168561 -0.9563 -0.8548 DHPC8.2_000033 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C14 compound treatment 0.453 0.798 0.79 -0.245 0.113 0.1 0.299 0.55208243902439 0.692166557787553 0.9179 0.8675 DHPC8.2_000034 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C15 mock treatment -0.236 0.109 0.11 -0.291 0.0666 0.06 0.049 0.30208243902439 0.378732137100893 0.3169 0.7947 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C16 mock treatment -0.195 0.15 0.15 0.052 0.41 0.38 -0.323 -0.06991756097561 -0.0876582808808584 0.2545 0.6105 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C17 compound treatment -0.408 -0.0629 -0.06 -0.82 -0.462 -0.43 -0.041 0.21208243902439 0.265895745653695 -0.1298 -0.2556 DHPC8.2_000035 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C18 compound treatment -0.215 0.13 0.13 -0.058 0.3 0.28 -0.956 -0.70291756097561 -0.881274234059483 -0.274 -0.2937 DHPC8.2_000036 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C19 compound treatment -0.121 0.224 0.22 -0.574 -0.216 -0.2 -0.612 -0.35891756097561 -0.449988471194638 -0.2469 -0.4567 DHPC8.2_000037 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C20 compound treatment -0.443 -0.0979 -0.1 -0.439 -0.0814 -0.08 -0.52 -0.26691756097561 -0.334644604381947 -0.2929 -0.8215 DHPC8.2_000038 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C21 compound treatment -0.174 0.171 0.17 0.025 0.383 0.35 -0.07 0.18308243902439 0.229537352854042 0.4353 0.9564 DHPC8.2_000039 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C22 compound treatment -0.385 -0.0399 -0.04 -0.517 -0.159 -0.15 -0.657 -0.40391756097561 -0.506406666918237 -0.4005 -0.7571 DHPC8.2_000040 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C23 compound treatment -0.787 -0.442 -0.44 -0.537 -0.179 -0.17 -0.373 -0.11991756097561 -0.15034516501819 -0.4364 -0.8848 DHPC8.2_000041 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 C24 compound treatment -0.307 0.0381 0.04 0.124 0.482 0.45 -0.127 0.12608243902439 0.158074304937484 0.3706 0.7808 DHPC8.2_000042 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D01 mock treatment 0.091 0.436 0.43 3.129 3.49 1.62 0.847 1.10008243902439 1.37921480793271 1.981 0.9128 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D02 mock treatment -0.191 0.154 0.15 -0.362 -0.00439 0.0 -0.167 0.08608243902439 0.107924797627618 0.1484 0.7918 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D03 mock treatment -0.133 0.212 0.21 -0.049 0.309 0.29 -0.036 0.21708243902439 0.272164434067428 0.4438 0.992 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D04 mock treatment -0.111 0.234 0.23 0.026 0.384 0.36 0.025 0.27808243902439 0.348642432714973 0.5407 0.9841 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D05 mock treatment -0.051 0.294 0.29 -0.3 0.0576 0.05 -0.307 -0.05391756097561 -0.0675984779569121 0.1606 0.5268 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D06 mock treatment 0.096 0.441 0.44 0.029 0.387 0.36 -0.194 0.05908243902439 0.0740738801934585 0.5026 0.8804 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D07 mock treatment -0.054 0.291 0.29 0.199 0.557 0.52 -0.32 -0.06691756097561 -0.0838970678326185 0.4162 0.6971 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D08 mock treatment -0.484 -0.139 -0.14 -0.504 -0.146 -0.14 -0.301 -0.04791756097561 -0.0600760518604322 -0.1927 -0.9509 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D09 mock treatment -0.291 0.0541 0.05 -0.26 0.0976 0.09 -0.228 0.02508243902439 0.0314467989800726 0.1014 0.9236 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D10 mock treatment -0.81 -0.465 -0.46 -0.276 0.0816 0.08 -0.41 -0.15691756097561 -0.196733459279816 -0.3368 -0.663 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D11 mock treatment -0.325 0.0201 0.02 0.059 0.417 0.39 -0.3 -0.04691756097561 -0.0588223141776856 0.2003 0.5126 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D12 mock treatment 0.184 0.529 0.53 0.135 0.493 0.46 0.027 0.28008243902439 0.351149908080466 0.7698 0.9872 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D13 mock treatment -0.177 0.168 0.17 -0.077 0.281 0.26 0.117 0.37008243902439 0.463986299527664 0.5144 0.9228 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D14 mock treatment -0.396 -0.0509 -0.05 -0.415 -0.0574 -0.05 -0.115 0.13808243902439 0.173119157130443 0.04 0.2129 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D15 mock treatment 0.377 0.722 0.72 -0.072 0.286 0.26 1.037 1.29008243902439 1.58922102546498 1.4847 0.8418 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D16 mock treatment -0.233 0.112 0.11 -0.068 0.29 0.27 -0.116 0.13708243902439 0.171865419447697 0.3184 0.9435 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D17 mock treatment -0.711 -0.366 -0.36 -0.26 0.0976 0.09 -0.046 0.20708243902439 0.259627057239962 -0.008 -0.0175 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D18 mock treatment -0.125 0.22 0.22 -0.088 0.27 0.25 -0.262 -0.00891756097561003 -0.0111802822333132 0.264 0.7948 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D19 mock treatment -0.058 0.287 0.29 -0.061 0.297 0.27 -0.116 0.13708243902439 0.171865419447697 0.4226 0.9787 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D20 mock treatment -0.21 0.135 0.13 -0.283 0.0746 0.07 -0.13 0.12308243902439 0.154313091889244 0.2065 0.9565 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D21 mock treatment -0.28 0.0651 0.06 -0.117 0.241 0.22 -0.108 0.14508243902439 0.18189532090967 0.271 0.9192 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D22 mock treatment -0.003 0.342 0.34 -0.085 0.273 0.25 -0.119 0.13408243902439 0.168104206399457 0.4391 0.9637 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D23 mock treatment -0.318 0.0271 0.03 0.04 0.398 0.37 0.047 0.30008243902439 0.376224661735399 0.4453 0.8449 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 D24 mock treatment -0.111 0.234 0.23 -0.039 0.319 0.3 -0.111 0.14208243902439 0.17813410786143 0.4075 0.98 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E01 mock treatment -0.159 0.186 0.18 -0.85 -0.492 -0.46 -0.531 -0.27791756097561 -0.34843571889216 -0.3576 -0.5931 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E02 mock treatment -0.432 -0.0869 -0.09 -0.144 0.214 0.2 -0.441 -0.18791756097561 -0.235599327444962 -0.0717 -0.2245 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E03 compound treatment -0.256 0.0891 0.09 -0.682 -0.324 -0.3 -0.402 -0.14891756097561 -0.186703557817843 -0.2301 -0.6311 DHPC8.2_000043 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E04 compound treatment -0.076 0.269 0.27 0.163 0.521 0.48 -0.285 -0.03191756097561 -0.0400162489364859 0.4097 0.7411 DHPC8.2_000044 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E05 compound treatment -0.219 0.126 0.13 -0.319 0.0386 0.04 -0.59 -0.33691756097561 -0.422406242174212 -0.1509 -0.3413 DHPC8.2_000045 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E06 compound treatment 1.324 1.67 1.44 0.58 0.938 0.87 0.661 0.91408243902439 1.14601959894184 1.9926 0.9802 DHPC8.2_000046 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E07 compound treatment -1.137 -0.792 -0.79 -0.229 0.129 0.12 -0.394 -0.14091756097561 -0.17667365635587 -0.4878 -0.5981 DHPC8.2_000047 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E08 compound treatment 0.801 1.15 1.14 0.292 0.65 0.6 0.083 0.33608243902439 0.421359218314278 1.2484 0.9209 DHPC8.2_000048 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E09 mock treatment -0.158 0.187 0.19 -0.061 0.297 0.27 -0.018 0.23508243902439 0.294731712356868 0.4361 0.9828 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E10 mock treatment -0.232 0.113 0.11 -0.26 0.0976 0.09 -0.182 0.07108243902439 0.0891187323864182 0.1685 0.994 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E11 compound treatment -0.562 -0.217 -0.22 -0.624 -0.266 -0.25 -0.266 -0.01291756097561 -0.0161952329642998 -0.2763 -0.8422 DHPC8.2_000049 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E12 compound treatment 3.337 3.68 1.75 2.563 2.92 1.56 0.61 0.86308243902439 1.08207897712176 2.5363 0.982 DHPC8.2_000050 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E13 compound treatment -0.222 0.123 0.12 -0.31 0.0476 0.04 -0.188 0.06508243902439 0.0815963062899383 0.1432 0.9327 DHPC8.2_000051 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E14 compound treatment -0.158 0.187 0.19 -0.504 -0.146 -0.14 -0.313 -0.05991756097561 -0.0751209040533919 -0.0143 -0.0589 DHPC8.2_000052 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E15 compound treatment -0.157 0.188 0.19 -1.367 -1.01 -0.93 -0.513 -0.25991756097561 -0.32586844060272 -0.6198 -0.6153 DHPC8.2_000053 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E16 compound treatment 0.043 0.388 0.39 -0.356 0.00161 0.0 -0.467 -0.21391756097561 -0.268196507196375 0.0688 0.1463 DHPC8.2_000054 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E17 mock treatment -0.348 -0.00293 0.0 -0.651 -0.293 -0.27 -0.722 -0.46891756097561 -0.587899616296769 -0.498 -0.7689 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E18 mock treatment -0.053 0.292 0.29 -0.02 0.338 0.31 -0.242 0.01108243902439 0.0138944714216197 0.3561 0.8343 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E19 compound treatment -0.851 -0.506 -0.5 -0.188 0.17 0.16 -0.346 -0.09291756097561 -0.116494247584031 -0.267 -0.4947 DHPC8.2_000055 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E20 compound treatment -0.283 0.0621 0.06 -0.307 0.0506 0.05 -0.341 -0.08791756097561 -0.110225559170298 -0.001 -0.0071 DHPC8.2_000056 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E21 compound treatment -0.478 -0.133 -0.13 -1.045 -0.687 -0.64 -0.467 -0.21391756097561 -0.268196507196375 -0.5986 -0.8513 DHPC8.2_000057 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E22 compound treatment 0.203 0.548 0.54 -0.313 0.0446 0.04 -0.071 0.18208243902439 0.228283615171295 0.4702 0.794 DHPC8.2_000058 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E23 compound treatment -0.068 0.277 0.28 0.122 0.48 0.44 0.308 0.56108243902439 0.703450196932273 0.8216 0.9375 DHPC8.2_000059 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 E24 compound treatment 0.128 0.473 0.47 -0.005 0.353 0.33 0.026 0.27908243902439 0.34989617039772 0.662 0.9867 DHPC8.2_000060 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F01 mock treatment -0.369 -0.0239 -0.02 -0.289 0.0686 0.06 -0.144 0.10908243902439 0.136760764330791 0.1019 0.6675 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F02 mock treatment -0.153 0.192 0.19 -0.485 -0.127 -0.12 -0.305 -0.05191756097561 -0.0650910025914188 0.0046 0.0195 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F03 mock treatment -0.135 0.21 0.21 -0.019 0.339 0.31 -0.089 0.16408243902439 0.205716336881856 0.4204 0.9793 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F04 mock treatment -0.356 -0.0109 -0.01 -0.242 0.116 0.11 -0.133 0.12008243902439 0.150551878841004 0.1424 0.7698 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F05 mock treatment -0.073 0.272 0.27 -0.348 0.00961 0.01 -0.339 -0.08591756097561 -0.107718083804805 0.0991 0.3403 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F06 mock treatment 1.722 2.07 1.53 0.05 0.408 0.38 -0.265 -0.01191756097561 -0.0149414952815531 1.0931 0.6933 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F07 mock treatment -0.304 0.0411 0.04 0.064 0.422 0.39 -0.203 0.05008243902439 0.0627902410487387 0.2852 0.7175 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F08 mock treatment 0.169 0.514 0.51 -0.232 0.126 0.12 -0.064 0.18908243902439 0.237059778950522 0.4991 0.8676 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F09 mock treatment 0.131 0.476 0.47 0.026 0.384 0.36 0.066 0.31908243902439 0.400045677707585 0.7093 0.993 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F10 mock treatment -0.133 0.212 0.21 -0.09 0.268 0.25 -0.233 0.02008243902439 0.0251781105663394 0.2793 0.856 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F11 mock treatment -0.224 0.121 0.12 -0.057 0.301 0.28 -0.051 0.20208243902439 0.253358368826228 0.3765 0.9527 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F12 mock treatment -0.404 -0.0589 -0.06 -0.006 0.352 0.33 0.018 0.27108243902439 0.339866268935747 0.3504 0.7387 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F13 mock treatment -0.566 -0.221 -0.22 -0.443 -0.0854 -0.08 -0.356 -0.10291756097561 -0.129031624411498 -0.247 -0.9259 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F14 mock treatment -0.695 -0.35 -0.35 -0.385 -0.0274 -0.03 -0.323 -0.06991756097561 -0.0876582808808584 -0.2661 -0.7399 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F15 mock treatment -0.244 0.101 0.1 -0.101 0.257 0.24 0.078 0.33108243902439 0.415090529900545 0.4348 0.8898 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F16 mock treatment -0.181 0.164 0.16 -0.47 -0.112 -0.1 -0.272 -0.01891756097561 -0.0237176590607796 0.0204 0.1046 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F17 mock treatment -0.146 0.199 0.2 -0.356 0.00161 0.0 -0.336 -0.08291756097561 -0.103956870756565 0.0551 0.2465 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F18 mock treatment 0.522 0.867 0.86 0.244 0.602 0.56 -0.052 0.20108243902439 0.252104631143482 0.9649 0.913 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F19 mock treatment -0.012 0.333 0.33 0.171 0.529 0.49 -0.302 -0.04891756097561 -0.0613297895431789 0.4384 0.7378 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F20 mock treatment -0.092 0.253 0.25 -0.266 0.0916 0.08 -0.089 0.16408243902439 0.205716336881856 0.313 0.9319 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F21 mock treatment -0.071 0.274 0.27 -0.354 0.00361 0.0 -0.256 -0.00291756097561002 -0.00365785613683334 0.1571 0.5766 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F22 mock treatment -0.203 0.142 0.14 -0.234 0.124 0.11 -0.096 0.15708243902439 0.196940173102629 0.2613 0.975 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F23 mock treatment -0.218 0.127 0.13 -0.258 0.0996 0.09 -0.111 0.14208243902439 0.17813410786143 0.229 0.9661 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 F24 mock treatment -0.394 -0.0489 -0.05 -0.005 0.353 0.33 -0.053 0.20008243902439 0.250850893460735 0.3052 0.7362 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G01 compound treatment 0.177 0.522 0.52 0.609 0.967 0.9 1.535 1.78808243902439 1.7870582333276 1.8482 0.895 DHPC8.2_000061 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G02 compound treatment 0.024 0.369 0.37 -0.072 0.286 0.26 -0.797 -0.54391756097561 -0.681929942502767 -0.0292 -0.0357 DHPC8.2_000062 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G03 mock treatment -0.081 0.264 0.26 0.4 0.758 0.7 -0.082 0.17108243902439 0.214492500661082 0.6804 0.8733 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G04 mock treatment -0.044 0.301 0.3 -0.019 0.339 0.31 -0.014 0.23908243902439 0.299746663087854 0.5269 0.9998 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G05 compound treatment -0.012 0.333 0.33 0.019 0.377 0.35 -0.034 0.21908243902439 0.274671909432921 0.5511 0.9951 DHPC8.2_000063 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G06 compound treatment 0.102 0.447 0.44 0.028 0.386 0.36 0.07 0.32308243902439 0.405060628438572 0.6966 0.9961 DHPC8.2_000064 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G07 compound treatment -0.021 0.324 0.32 -0.095 0.263 0.24 -0.755 -0.50191756097561 -0.629272959827408 -0.0369 -0.0494 DHPC8.2_000065 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G08 compound treatment 0.263 0.608 0.6 -0.069 0.289 0.27 -0.183 0.07008243902439 0.0878649947036716 0.554 0.8309 DHPC8.2_000066 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G09 compound treatment -0.271 0.0741 0.07 -0.737 -0.379 -0.35 -0.629 -0.37591756097561 -0.471302011801331 -0.4324 -0.7299 DHPC8.2_000067 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G10 compound treatment 0.0 0.345 0.34 -0.012 0.346 0.32 0.384 0.63708243902439 0.798734260821018 0.844 0.9111 DHPC8.2_000068 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G11 compound treatment -0.472 -0.127 -0.13 -0.548 -0.19 -0.18 -0.195 0.05808243902439 0.0728201425107118 -0.1326 -0.5798 DHPC8.2_000069 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G12 compound treatment -0.612 -0.267 -0.27 1.168 1.53 1.31 -0.095 0.15808243902439 0.198193910785376 0.7161 0.5309 DHPC8.2_000070 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G13 compound treatment -0.374 -0.0289 -0.03 -0.101 0.257 0.24 0.433 0.68608243902439 0.860167407275603 0.6172 0.6913 DHPC8.2_000071 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G14 compound treatment 0.864 1.21 1.2 -0.87 -0.512 -0.47 -0.129 0.12408243902439 0.15556682957199 0.5099 0.3917 DHPC8.2_000072 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G15 compound treatment 0.342 0.687 0.68 0.041 0.399 0.37 -0.037 0.21608243902439 0.270910696384681 0.7639 0.9289 DHPC8.2_000073 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G16 compound treatment -0.674 -0.329 -0.33 -1.373 -1.02 -0.94 -0.726 -0.47291756097561 -0.592914567027755 -1.0739 -0.9269 DHPC8.2_000074 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G17 compound treatment 0.052 0.397 0.39 -0.407 -0.0494 -0.05 0.078 0.33108243902439 0.415090529900545 0.4412 0.7677 DHPC8.2_000075 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G18 compound treatment 0.071 0.416 0.41 -0.385 -0.0274 -0.03 -0.84 -0.58691756097561 -0.735840662860872 -0.2007 -0.2376 DHPC8.2_000076 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G19 mock treatment 0.178 0.523 0.52 0.338 0.696 0.64 -0.32 -0.06691756097561 -0.0838970678326185 0.6237 0.7495 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G20 mock treatment -0.639 -0.294 -0.29 -0.174 0.184 0.17 -0.346 -0.09291756097561 -0.116494247584031 -0.1378 -0.3854 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G21 compound treatment -0.404 -0.0589 -0.06 -0.631 -0.273 -0.25 0.269 0.52208243902439 0.654554427305154 0.1979 0.281 DHPC8.2_000077 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G22 compound treatment 0.028 0.373 0.37 -0.95 -0.592 -0.55 0.644 0.89708243902439 1.12470605833514 0.5468 0.419 DHPC8.2_000078 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G23 compound treatment 0.048 0.393 0.39 -0.095 0.263 0.24 -0.056 0.19708243902439 0.247089680412495 0.5087 0.9737 DHPC8.2_000079 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 G24 mock treatment -0.161 0.184 0.18 -0.384 -0.0264 -0.02 -0.19 0.06308243902439 0.079088830924445 0.1372 0.6831 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H01 mock treatment -0.384 -0.0389 -0.04 -0.126 0.232 0.21 -0.288 -0.03491756097561 -0.0437774619847259 0.0762 0.3428 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H02 mock treatment -0.597 -0.252 -0.25 -0.425 -0.0674 -0.06 -0.358 -0.10491756097561 -0.131539099776991 -0.2566 -0.8856 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H03 mock treatment -0.537 -0.192 -0.19 0.165 0.523 0.48 0.676 0.92908243902439 1.16482566418304 0.8417 0.6598 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H04 mock treatment -0.163 0.182 0.18 -0.314 0.0436 0.04 -0.181 0.07208243902439 0.0903724700691648 0.18 0.8725 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H05 mock treatment -0.301 0.0441 0.04 -0.207 0.151 0.14 -0.185 0.06808243902439 0.0853575193381783 0.1551 0.9162 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H06 mock treatment -0.211 0.134 0.13 -0.063 0.295 0.27 -0.258 -0.00491756097561002 -0.00616533150232663 0.2309 0.7603 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H07 mock treatment -0.263 0.0821 0.08 -0.263 0.0946 0.09 0.116 0.36908243902439 0.462732561844918 0.3648 0.7633 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H08 mock treatment -0.259 0.0861 0.09 -0.246 0.112 0.1 0.705 0.95808243902439 1.20118405698269 0.8026 0.664 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H09 mock treatment 0.006 0.351 0.35 -0.108 0.25 0.23 0.085 0.33808243902439 0.423866693679772 0.5797 0.973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H10 mock treatment -0.091 0.254 0.25 -0.209 0.149 0.14 -0.053 0.20008243902439 0.250850893460735 0.3701 0.9697 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H11 mock treatment -0.167 0.178 0.18 -0.063 0.295 0.27 -0.005 0.24808243902439 0.311030302232574 0.4393 0.9762 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H12 mock treatment -0.169 0.176 0.18 -0.002 0.356 0.33 -0.053 0.20008243902439 0.250850893460735 0.436 0.9701 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H13 mock treatment -0.598 -0.253 -0.25 -0.435 -0.0774 -0.07 -0.03 0.22308243902439 0.279686860163908 -0.0251 -0.0655 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H14 mock treatment -0.387 -0.0419 -0.04 -0.147 0.211 0.2 -0.062 0.19108243902439 0.239567254316015 0.2268 0.7277 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H15 mock treatment -0.66 -0.315 -0.31 -0.583 -0.225 -0.21 -0.22 0.03308243902439 0.0414767004420458 -0.2773 -0.7326 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H16 mock treatment -0.718 -0.373 -0.37 -0.354 0.00361 0.0 -0.193 0.06008243902439 0.0753276178762051 -0.1686 -0.4457 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H17 mock treatment -0.195 0.15 0.15 -0.137 0.221 0.2 0.036 0.28908243902439 0.362433547225186 0.4133 0.9352 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H18 mock treatment -0.161 0.184 0.18 -0.32 0.0376 0.03 -0.272 -0.01891756097561 -0.0237176590607796 0.1121 0.5968 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H19 mock treatment -0.474 -0.129 -0.13 -0.045 0.313 0.29 -0.028 0.22508243902439 0.282194335529401 0.256 0.6037 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H20 mock treatment -0.336 0.00907 0.01 -0.37 -0.0124 -0.01 -0.007 0.24608243902439 0.308522826867081 0.1767 0.5721 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H21 mock treatment -0.062 0.283 0.28 -0.101 0.257 0.24 -0.067 0.18608243902439 0.233298565902282 0.4344 0.9963 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H22 mock treatment -0.032 0.313 0.31 -0.118 0.24 0.22 0.062 0.31508243902439 0.395030726976599 0.5359 0.9749 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H23 mock treatment -0.247 0.0981 0.1 -0.121 0.237 0.22 -0.138 0.11508243902439 0.14428319042727 0.2661 0.9508 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 H24 mock treatment -0.179 0.166 0.17 -0.146 0.212 0.2 -0.025 0.22808243902439 0.285955548577641 0.3735 0.9729 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I01 compound treatment 1.779 2.12 1.54 0.257 0.615 0.57 0.242 0.49508243902439 0.620703509870995 1.5773 0.8977 DHPC8.2_000080 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I02 mock treatment 0.1 0.445 0.44 0.081 0.439 0.41 -0.025 0.22808243902439 0.285955548577641 0.655 0.9847 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I03 compound treatment 0.073 0.418 0.42 -0.486 -0.128 -0.12 -0.326 -0.07291756097561 -0.0914194939290983 0.1185 0.2683 DHPC8.2_000081 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I04 mock treatment -0.237 0.108 0.11 -0.2 0.158 0.15 -0.146 0.10708243902439 0.134253288965297 0.2238 0.9923 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I05 mock treatment -0.585 -0.24 -0.24 -0.457 -0.0994 -0.09 -0.692 -0.43891756097561 -0.550287485814369 -0.5086 -0.8381 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I06 mock treatment -0.699 -0.354 -0.35 -0.303 0.0546 0.05 0.097 0.35008243902439 0.438911545872731 0.0794 0.1407 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I07 compound treatment -0.253 0.0921 0.09 -0.025 0.333 0.31 -0.367 -0.11391756097561 -0.142822738921711 0.1482 0.4215 DHPC8.2_000082 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I08 mock treatment -0.223 0.122 0.12 -0.168 0.19 0.18 -0.008 0.24508243902439 0.307269089184334 0.3488 0.9324 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I09 compound treatment 0.032 0.377 0.37 -0.488 -0.13 -0.12 -0.476 -0.22291756097561 -0.279480146341095 -0.0146 -0.0303 DHPC8.2_000083 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I10 mock treatment -0.834 -0.489 -0.49 -0.721 -0.363 -0.34 -0.436 -0.18291756097561 -0.229330639031229 -0.6073 -0.9577 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I11 compound treatment 0.555 0.9 0.89 0.531 0.889 0.82 0.628 0.88108243902439 1.1046462554112 1.6294 0.992 DHPC8.2_000084 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I12 mock treatment 0.166 0.511 0.51 0.012 0.37 0.34 -0.079 0.17408243902439 0.218253713709322 0.6169 0.9487 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I13 compound treatment -0.094 0.251 0.25 0.393 0.751 0.7 0.168 0.42108243902439 0.527926921347743 0.8502 0.9365 DHPC8.2_000085 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I14 mock treatment -0.402 -0.0569 -0.06 -0.562 -0.204 -0.19 -0.291 -0.03791756097561 -0.0475386750329658 -0.1694 -0.8337 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I15 compound treatment 0.22 0.565 0.56 -0.093 0.265 0.25 0.037 0.29008243902439 0.363687284907933 0.6758 0.9482 DHPC8.2_000086 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I16 mock treatment -0.195 0.15 0.15 -0.05 0.308 0.28 -0.253 8.24390243899797E-5 1.03356911406587E-4 0.2506 0.7795 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I17 compound treatment 0.247 0.592 0.59 -0.29 0.0676 0.06 -0.136 0.11708243902439 0.146790665792764 0.4607 0.7555 DHPC8.2_000087 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I18 mock treatment 0.032 0.377 0.37 0.108 0.466 0.43 -0.11 0.14308243902439 0.179387845544176 0.5689 0.9501 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I19 compound treatment -0.106 0.239 0.24 -0.069 0.289 0.27 -0.187 0.06608243902439 0.082850043972685 0.3393 0.9244 DHPC8.2_000088 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I20 mock treatment -0.275 0.0701 0.07 -0.251 0.107 0.1 -0.093 0.16008243902439 0.200701386150869 0.2131 0.9096 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I21 mock treatment -0.102 0.243 0.24 -0.375 -0.0174 -0.02 0.0 0.25308243902439 0.317298990646307 0.3134 0.7852 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I22 mock treatment -0.612 -0.267 -0.27 -0.447 -0.0894 -0.08 -0.172 0.08108243902439 0.101656109213885 -0.1423 -0.4808 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I23 compound treatment 0.375 0.72 0.72 1.036 1.39 1.27 0.845 1.09808243902439 1.37670733256722 1.9405 0.9682 DHPC8.2_000089 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 I24 mock treatment -0.239 0.106 0.11 0.059 0.417 0.39 0.162 0.41508243902439 0.520404495251263 0.5841 0.8899 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J01 mock treatment -0.219 0.126 0.13 -0.24 0.118 0.11 1.063 1.31608243902439 1.60164804557055 1.0599 0.6583 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J02 mock treatment -0.707 -0.362 -0.36 -0.307 0.0506 0.05 -0.077 0.17608243902439 0.220761189074816 -0.0532 -0.1253 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J03 mock treatment -0.244 0.101 0.1 -0.038 0.32 0.3 0.095 0.34808243902439 0.436404070507238 0.4808 0.8958 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J04 mock treatment -0.301 0.0441 0.04 -0.484 -0.126 -0.12 -0.288 -0.03491756097561 -0.0437774619847259 -0.0675 -0.5102 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J05 mock treatment -0.584 -0.239 -0.24 -0.624 -0.266 -0.25 -0.572 -0.31891756097561 -0.399838963884772 -0.5104 -0.9695 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J06 mock treatment -0.393 -0.0479 -0.05 0.219 0.577 0.53 0.733 0.98608243902439 1.2362887120996 0.9945 0.738 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J07 mock treatment 0.317 0.662 0.66 -0.09 0.268 0.25 -0.117 0.13608243902439 0.17061168176495 0.6216 0.8589 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J08 mock treatment -0.4 -0.0549 -0.05 -0.252 0.106 0.1 0.035 0.28808243902439 0.36117980954244 0.2335 0.6174 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J09 mock treatment -0.255 0.0901 0.09 -0.257 0.101 0.09 -0.143 0.11008243902439 0.138014502013537 0.1852 0.9794 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J10 mock treatment -0.144 0.201 0.2 -0.088 0.27 0.25 -0.066 0.18708243902439 0.234552303585029 0.395 0.9959 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J11 mock treatment -0.05 0.295 0.29 0.106 0.464 0.43 -0.02 0.23308243902439 0.292224236991374 0.5859 0.9824 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J12 mock treatment -0.235 0.11 0.11 -0.043 0.315 0.29 0.101 0.35408243902439 0.443926496603718 0.4877 0.8995 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J13 mock treatment -0.078 0.267 0.27 -0.388 -0.0304 -0.03 1.306 1.55908243902439 1.7055597479216 1.1218 0.6498 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J14 mock treatment -0.128 0.217 0.22 0.021 0.379 0.35 -0.095 0.15808243902439 0.198193910785376 0.4414 0.9661 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J15 mock treatment -0.183 0.162 0.16 -0.046 0.312 0.29 0.193 0.44608243902439 0.559270363416409 0.5825 0.8967 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J16 mock treatment -0.424 -0.0789 -0.08 -0.884 -0.526 -0.49 -0.564 -0.31091756097561 -0.389809062422799 -0.5518 -0.8772 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J17 mock treatment -0.075 0.27 0.27 -0.398 -0.0404 -0.04 -0.23 0.02308243902439 0.0289393236145793 0.1501 0.5507 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J18 mock treatment -0.255 0.0901 0.09 0.252 0.61 0.56 0.171 0.42408243902439 0.531688134395983 0.6846 0.877 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J19 mock treatment -0.21 0.135 0.13 -0.095 0.263 0.24 -0.275 -0.02191756097561 -0.0274788721090196 0.2021 0.7239 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J20 mock treatment -0.023 0.322 0.32 -0.184 0.174 0.16 -0.213 0.04008243902439 0.0502528642212723 0.3067 0.8477 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J21 mock treatment 0.064 0.409 0.41 -0.096 0.262 0.24 -0.153 0.10008243902439 0.125477125186071 0.4471 0.913 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J22 mock treatment -0.096 0.249 0.25 -0.083 0.275 0.25 0.093 0.34608243902439 0.433896595141745 0.5403 0.9638 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J23 mock treatment -0.243 0.102 0.1 -0.167 0.191 0.18 -0.119 0.13408243902439 0.168104206399457 0.2575 0.9755 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 J24 mock treatment -0.167 0.178 0.18 -0.106 0.252 0.23 0.192 0.44508243902439 0.558016625733662 0.5589 0.887 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K01 compound treatment -0.561 -0.216 -0.21 -0.149 0.209 0.19 -0.059 0.19408243902439 0.243328467364255 0.1281 0.3391 DHPC8.2_000090 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K02 mock treatment -0.244 0.101 0.1 0.146 0.504 0.47 0.655 0.90808243902439 1.13849717284536 0.9845 0.7976 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K03 compound treatment -0.113 0.232 0.23 -0.67 -0.312 -0.29 -0.496 -0.24291756097561 -0.304554899996027 -0.2096 -0.4375 DHPC8.2_000091 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K04 mock treatment -0.223 0.122 0.12 -0.202 0.156 0.14 0.017 0.27008243902439 0.338612531253 0.3488 0.9 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K05 compound treatment -0.248 0.0971 0.1 -0.544 -0.186 -0.17 -0.178 0.07508243902439 0.0941336831174048 0.0104 0.0476 DHPC8.2_000092 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K06 mock treatment -0.089 0.256 0.25 -0.116 0.242 0.22 -0.195 0.05808243902439 0.0728201425107118 0.3182 0.9179 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K07 mock treatment -0.137 0.208 0.21 0.145 0.503 0.47 -0.229 0.02408243902439 0.030193061297326 0.4056 0.7949 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K08 mock treatment -0.391 -0.0459 -0.05 -0.151 0.207 0.19 -0.216 0.03708243902439 0.0464916511730324 0.1109 0.5489 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K09 compound treatment -0.242 0.103 0.1 0.133 0.491 0.45 -0.476 -0.22291756097561 -0.279480146341095 0.1601 0.2947 DHPC8.2_000093 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K10 mock treatment -0.297 0.0481 0.05 -0.089 0.269 0.25 -0.141 0.11208243902439 0.140521977379031 0.2523 0.8711 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K11 compound treatment 3.531 3.88 1.77 0.886 1.24 1.15 0.729 0.98208243902439 1.23127376136861 2.3969 0.9809 DHPC8.2_000094 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K12 mock treatment -0.44 -0.0949 -0.09 0.061 0.419 0.39 0.059 0.31208243902439 0.391269513928359 0.3952 0.7072 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K13 compound treatment -0.157 0.188 0.19 -0.244 0.114 0.11 -0.568 -0.31491756097561 -0.394824013153786 -0.0593 -0.1319 DHPC8.2_000095 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K14 mock treatment -0.371 -0.0259 -0.03 0.04 0.398 0.37 -0.428 -0.17491756097561 -0.219300737569256 0.0711 0.1655 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K15 mock treatment -0.366 -0.0209 -0.02 -0.073 0.285 0.26 -0.228 0.02508243902439 0.0314467989800726 0.1583 0.5946 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K16 mock treatment -0.4 -0.0549 -0.05 -0.157 0.201 0.19 -0.195 0.05808243902439 0.0728201425107118 0.1178 0.5693 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K17 compound treatment -0.256 0.0891 0.09 -0.457 -0.0994 -0.09 -0.337 -0.08391756097561 -0.105210608439311 -0.0628 -0.3793 DHPC8.2_000096 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K18 mock treatment -0.23 0.115 0.11 -0.087 0.271 0.25 -0.368 -0.11491756097561 -0.144076476604457 0.1275 0.4103 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K19 compound treatment 0.343 0.688 0.68 -0.161 0.197 0.18 -0.24 0.01308243902439 0.016401946787113 0.5095 0.7196 DHPC8.2_000097 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K20 mock treatment -0.469 -0.124 -0.12 -0.357 6.1E-4 0.0 -0.454 -0.20091756097561 -0.251897917320669 -0.2162 -0.7711 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K21 compound treatment 0.907 1.25 1.24 -0.226 0.132 0.12 -0.364 -0.11091756097561 -0.139061525873471 0.7087 0.5632 DHPC8.2_000098 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K22 mock treatment -0.417 -0.0719 -0.07 -0.328 0.0296 0.03 -0.172 0.08108243902439 0.101656109213885 0.0332 0.2611 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K23 mock treatment -0.179 0.166 0.17 -0.183 0.175 0.16 -0.077 0.17608243902439 0.220761189074816 0.3161 0.9892 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 K24 mock treatment -0.381 -0.0359 -0.04 -0.498 -0.14 -0.13 -0.116 0.13708243902439 0.171865419447697 0.0035 0.0162 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L01 mock treatment -0.719 -0.374 -0.37 -0.47 -0.112 -0.1 0.025 0.27808243902439 0.348642432714973 -0.0734 -0.1412 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L02 mock treatment -0.308 0.0371 0.04 0.004 0.362 0.33 0.022 0.27508243902439 0.344881219666733 0.4137 0.8581 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L03 mock treatment 0.188 0.533 0.53 -0.134 0.224 0.21 0.007 0.26008243902439 0.326075154425534 0.6138 0.9359 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L04 mock treatment 0.204 0.549 0.55 -0.176 0.182 0.17 0.056 0.30908243902439 0.387508300880119 0.636 0.9214 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L05 mock treatment 0.029 0.374 0.37 -0.219 0.139 0.13 -0.097 0.15608243902439 0.195686435419883 0.4018 0.9144 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L06 mock treatment -0.087 0.258 0.26 -0.297 0.0606 0.06 -0.104 0.14908243902439 0.186910271640656 0.2884 0.8948 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L07 mock treatment -0.237 0.108 0.11 -0.096 0.262 0.24 -0.033 0.22008243902439 0.275925647115668 0.3612 0.9441 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L08 mock treatment -0.044 0.301 0.3 -0.099 0.259 0.24 0.174 0.42708243902439 0.535449347444223 0.6202 0.9418 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L09 mock treatment -0.091 0.254 0.25 0.026 0.384 0.36 -0.139 0.11408243902439 0.143029452744524 0.4335 0.945 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L10 mock treatment -0.099 0.246 0.24 0.052 0.41 0.38 -0.059 0.19408243902439 0.243328467364255 0.5007 0.9765 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L11 mock treatment -0.219 0.126 0.13 -0.318 0.0396 0.04 -0.392 -0.13891756097561 -0.174166180990377 -0.007 -0.0322 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L12 mock treatment -0.069 0.276 0.27 0.1 0.458 0.42 -0.008 0.24508243902439 0.307269089184334 0.5805 0.9822 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L13 mock treatment -0.438 -0.0929 -0.09 0.161 0.519 0.48 -0.177 0.07608243902439 0.0953874208001514 0.279 0.5599 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L14 mock treatment 0.012 0.357 0.35 0.478 0.836 0.77 -0.14 0.11308243902439 0.141775715061777 0.7335 0.85 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L15 mock treatment 0.07 0.415 0.41 0.506 0.864 0.8 -0.153 0.10008243902439 0.125477125186071 0.7724 0.8501 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L16 mock treatment -0.166 0.179 0.18 -0.053 0.305 0.28 0.611 0.86408243902439 1.08333271480451 0.8911 0.7861 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L17 mock treatment 0.012 0.357 0.35 -0.037 0.321 0.3 -0.097 0.15608243902439 0.195686435419883 0.4893 0.9739 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L18 mock treatment 0.138 0.483 0.48 -0.39 -0.0324 -0.03 -0.31 -0.05691756097561 -0.071359691005152 0.2188 0.4497 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L19 mock treatment -0.297 0.0481 0.05 0.032 0.39 0.36 -0.049 0.20408243902439 0.255865844191722 0.3836 0.8623 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L20 mock treatment -0.232 0.113 0.11 0.204 0.562 0.52 0.072 0.32508243902439 0.407568103804065 0.6004 0.8959 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L21 mock treatment -0.265 0.0801 0.08 1.235 1.59 1.33 -0.293 -0.03991756097561 -0.0500461503984591 0.7825 0.5887 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L22 mock treatment -0.236 0.109 0.11 -0.257 0.101 0.09 -0.475 -0.22191756097561 -0.278226408658348 -0.0442 -0.1415 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L23 mock treatment -0.23 0.115 0.11 -0.248 0.11 0.1 -0.32 -0.06691756097561 -0.0838970678326185 0.0762 0.4369 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 L24 mock treatment -0.116 0.229 0.23 -0.208 0.15 0.14 -0.095 0.15808243902439 0.198193910785376 0.3259 0.9811 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M01 compound treatment -0.262 0.0831 0.08 -0.261 0.0966 0.09 0.689 0.94208243902439 1.18112425405874 0.7812 0.658 DHPC8.2_000099 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M02 mock treatment -0.4 -0.0549 -0.05 -0.381 -0.0234 -0.02 -0.172 0.08108243902439 0.101656109213885 0.0147 0.1248 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M03 compound treatment -0.009 0.336 0.33 -0.204 0.154 0.14 -0.149 0.10408243902439 0.130492075917057 0.3504 0.908 DHPC8.2_000100 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M04 mock treatment 0.249 0.594 0.59 -0.283 0.0746 0.07 -0.467 -0.21391756097561 -0.268196507196375 0.226 0.3465 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M05 compound treatment 0.009 0.354 0.35 -0.134 0.224 0.21 0.087 0.34008243902439 0.426374169045265 0.5689 0.9636 DHPC8.2_000101 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M06 mock treatment -0.564 -0.219 -0.22 -0.069 0.289 0.27 0.157 0.41008243902439 0.51413580683753 0.3255 0.5258 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M07 compound treatment -0.071 0.274 0.27 -0.223 0.135 0.12 -0.087 0.16608243902439 0.208223812247349 0.3495 0.9578 DHPC8.2_000102 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M08 mock treatment -0.342 0.00307 0.0 0.01 0.368 0.34 -0.187 0.06608243902439 0.082850043972685 0.2461 0.7025 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M09 mock treatment -0.126 0.219 0.22 0.036 0.394 0.36 -0.007 0.24608243902439 0.308522826867081 0.5143 0.9799 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M10 mock treatment -0.658 -0.313 -0.31 -0.6 -0.242 -0.22 -0.262 -0.00891756097561003 -0.0111802822333132 -0.3157 -0.8225 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M11 compound treatment -0.425 -0.0799 -0.08 0.17 0.528 0.49 0.757 1.01008243902439 1.26637841648552 0.9673 0.7114 DHPC8.2_000103 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M12 mock treatment -0.045 0.3 0.3 -0.381 -0.0234 -0.02 -0.146 0.10708243902439 0.134253288965297 0.2372 0.7236 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M13 mock treatment 1.278 1.62 1.42 -0.437 -0.0794 -0.07 -0.203 0.05008243902439 0.0627902410487387 0.8162 0.5717 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M14 mock treatment -0.162 0.183 0.18 0.128 0.486 0.45 0.039 0.29208243902439 0.366194760273426 0.5761 0.9479 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M15 compound treatment -0.05 0.295 0.29 0.118 0.476 0.44 -0.036 0.21708243902439 0.272164434067428 0.5808 0.976 DHPC8.2_000104 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M16 mock treatment 0.247 0.592 0.59 -0.258 0.0996 0.09 -0.079 0.17408243902439 0.218253713709322 0.5191 0.8181 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M17 compound treatment 0.415 0.76 0.76 -0.265 0.0926 0.09 -0.577 -0.32391756097561 -0.406107652298505 0.2513 0.2915 DHPC8.2_000105 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M18 mock treatment -0.948 -0.603 -0.6 0.309 0.667 0.62 -0.033 0.22008243902439 0.275925647115668 0.1696 0.1877 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M19 compound treatment 0.121 0.466 0.46 -0.431 -0.0734 -0.07 -0.178 0.07508243902439 0.0941336831174048 0.2826 0.5917 DHPC8.2_000106 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M20 mock treatment -0.212 0.133 0.13 -0.047 0.311 0.29 0.219 0.47208243902439 0.591867543167822 0.5841 0.8703 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M21 compound treatment -0.166 0.179 0.18 -0.523 -0.165 -0.15 -0.164 0.08908243902439 0.111686010675858 0.0788 0.3032 DHPC8.2_000107 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M22 mock treatment -0.506 -0.161 -0.16 -0.284 0.0736 0.07 -0.158 0.09508243902439 0.119208436772338 0.0158 0.075 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M23 compound treatment -0.184 0.161 0.16 -0.065 0.293 0.27 0.228 0.48108243902439 0.603151182312542 0.5971 0.8777 DHPC8.2_000108 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 M24 mock treatment -0.109 0.236 0.23 -0.01 0.348 0.32 0.121 0.37408243902439 0.469001250258651 0.5921 0.9622 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N01 mock treatment 0.008 0.353 0.35 -0.315 0.0426 0.04 -0.102 0.15108243902439 0.18941774700615 0.3348 0.8353 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N02 mock treatment -0.438 -0.0929 -0.09 -0.428 -0.0704 -0.07 -0.19 0.06308243902439 0.079088830924445 -0.0453 -0.3284 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N03 mock treatment -0.288 0.0571 0.06 -0.166 0.192 0.18 0.029 0.28208243902439 0.35365738344596 0.3394 0.849 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N04 mock treatment -0.011 0.334 0.33 -0.147 0.211 0.2 -0.113 0.14008243902439 0.175626632495937 0.4057 0.9585 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N05 mock treatment -0.022 0.323 0.32 -0.268 0.0896 0.08 0.055 0.30808243902439 0.386254563197372 0.4563 0.8963 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N06 mock treatment 0.341 0.686 0.68 0.649 1.01 0.93 0.336 0.58908243902439 0.738554852049179 1.3583 0.9908 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N07 mock treatment -0.096 0.249 0.25 0.012 0.37 0.34 -0.427 -0.17391756097561 -0.218046999886509 0.2147 0.4516 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N08 mock treatment -0.144 0.201 0.2 0.036 0.394 0.36 0.021 0.27408243902439 0.343627481983987 0.5242 0.972 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N09 mock treatment -0.193 0.152 0.15 0.074 0.432 0.4 -0.045 0.20808243902439 0.260880794922708 0.4686 0.9361 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N10 mock treatment -0.022 0.323 0.32 0.282 0.64 0.59 0.059 0.31208243902439 0.391269513928359 0.7533 0.9668 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N11 mock treatment -0.253 0.0921 0.09 -0.102 0.256 0.24 -0.048 0.20508243902439 0.257119581874468 0.3379 0.9355 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N12 mock treatment -0.062 0.283 0.28 0.092 0.45 0.42 -0.024 0.22908243902439 0.287209286260388 0.5687 0.9825 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N13 mock treatment -0.314 0.0311 0.03 -0.205 0.153 0.14 -0.44 -0.18691756097561 -0.234345589762216 -0.0359 -0.1303 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N14 mock treatment -1.302 -0.957 -0.95 -0.111 0.247 0.23 0.009 0.26208243902439 0.328582629791027 -0.2277 -0.2206 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N15 mock treatment -0.16 0.185 0.18 -0.386 -0.0284 -0.03 -0.074 0.17908243902439 0.224522402123056 0.2207 0.7571 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N16 mock treatment -0.24 0.105 0.1 -0.091 0.267 0.25 -0.235 0.01808243902439 0.0226706352008462 0.2159 0.8027 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N17 mock treatment -0.19 0.155 0.15 0.375 0.733 0.68 0.077 0.33008243902439 0.413836792217799 0.7196 0.889 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N18 mock treatment -0.116 0.229 0.23 0.327 0.685 0.63 0.51 0.76308243902439 0.956705208847095 1.0498 0.8973 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N19 mock treatment -0.251 0.0941 0.09 -0.108 0.25 0.23 -0.309 -0.05591756097561 -0.0701059533224054 0.147 0.5674 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N20 mock treatment -0.034 0.311 0.31 -0.016 0.342 0.32 0.098 0.35108243902439 0.440165283555478 0.6153 0.986 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N21 mock treatment 0.209 0.554 0.55 -0.805 -0.447 -0.41 -0.435 -0.18191756097561 -0.228076901348482 -0.0528 -0.0728 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N22 mock treatment -0.003 0.342 0.34 -0.045 0.313 0.29 -0.015 0.23808243902439 0.298492925405107 0.5358 0.9975 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N23 mock treatment 0.386 0.731 0.73 0.065 0.423 0.39 0.099 0.35208243902439 0.441419021238225 0.9004 0.9619 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 N24 mock treatment 0.049 0.394 0.39 0.528 0.886 0.82 -0.026 0.22708243902439 0.284701810894894 0.864 0.9072 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O01 compound treatment 0.116 0.461 0.46 0.164 0.522 0.48 -0.378 -0.12491756097561 -0.156613853431924 0.4531 0.6623 DHPC8.2_000109 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O02 mock treatment -0.298 0.0471 0.05 -0.197 0.161 0.15 0.53 0.78308243902439 0.981779962502027 0.6797 0.6838 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O03 compound treatment 0.466 0.811 0.81 -0.007 0.351 0.32 0.044 0.29708243902439 0.372463448687159 0.868 0.9179 DHPC8.2_000110 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O04 mock treatment 0.199 0.544 0.54 -0.231 0.127 0.12 -0.014 0.23908243902439 0.299746663087854 0.553 0.8786 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O05 compound treatment 0.205 0.55 0.55 0.241 0.599 0.55 0.289 0.54208243902439 0.679629180960087 1.0281 0.9948 DHPC8.2_000111 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O06 mock treatment -0.305 0.0401 0.04 -0.237 0.121 0.11 -0.152 0.10108243902439 0.126730862868817 0.1606 0.9256 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O07 compound treatment 1.243 1.59 1.41 0.458 0.816 0.76 0.281 0.53408243902439 0.669599279498114 1.6393 0.9434 DHPC8.2_000112 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O08 mock treatment -0.095 0.25 0.25 -0.352 0.00561 0.01 -0.261 -0.00791756097561003 -0.00992654455056656 0.1408 0.5658 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O09 compound treatment -0.312 0.0331 0.03 -0.283 0.0746 0.07 -0.047 0.20608243902439 0.258373319557215 0.208 0.772 DHPC8.2_000113 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O10 mock treatment -0.334 0.0111 0.01 0.152 0.51 0.47 -0.055 0.19808243902439 0.248343418095242 0.4222 0.7915 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O11 mock treatment -0.29 0.0551 0.05 -0.16 0.198 0.18 -0.125 0.12808243902439 0.160581780302977 0.23 0.9216 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O12 mock treatment -0.276 0.0691 0.07 0.02 0.378 0.35 -0.041 0.21208243902439 0.265895745653695 0.395 0.8885 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O13 compound treatment 0.303 0.648 0.64 -0.296 0.0616 0.06 1.168 1.42108243902439 1.64910370817942 1.357 0.7661 DHPC8.2_000114 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O14 mock treatment -0.02 0.325 0.32 0.024 0.382 0.35 0.144 0.39708243902439 0.497837216961824 0.678 0.9816 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O15 compound treatment 0.208 0.553 0.55 0.019 0.377 0.35 0.003 0.25608243902439 0.321060203694547 0.7041 0.97 DHPC8.2_000115 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O16 mock treatment 0.018 0.363 0.36 0.385 0.743 0.69 0.02 0.27308243902439 0.34237374430124 0.8031 0.9462 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O17 compound treatment -0.363 -0.0179 -0.02 -0.72 -0.362 -0.34 -0.783 -0.52991756097561 -0.664377614944314 -0.5876 -0.7892 DHPC8.2_000116 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O18 mock treatment -0.528 -0.183 -0.18 -0.036 0.322 0.3 -0.124 0.12908243902439 0.161835517985723 0.1604 0.4169 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O19 compound treatment 0.348 0.693 0.69 0.969 1.33 1.23 0.128 0.38108243902439 0.477777414037877 1.3829 0.9298 DHPC8.2_000117 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O20 mock treatment -0.331 0.0141 0.01 -0.414 -0.0564 -0.05 -0.296 -0.04291756097561 -0.053807363446699 -0.0531 -0.6967 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O21 compound treatment -0.479 -0.134 -0.13 0.225 0.583 0.54 -0.101 0.15208243902439 0.190671484688896 0.3447 0.5867 DHPC8.2_000118 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O22 mock treatment -0.177 0.168 0.17 -0.248 0.11 0.1 -0.178 0.07508243902439 0.0941336831174048 0.2094 0.9651 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O23 compound treatment -0.487 -0.142 -0.14 -0.421 -0.0634 -0.06 -0.496 -0.24291756097561 -0.304554899996027 -0.2912 -0.8546 DHPC8.2_000119 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 O24 mock treatment -0.401 -0.0559 -0.06 -0.082 0.276 0.26 -0.055 0.19808243902439 0.248343418095242 0.2586 0.7176 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P01 mock treatment 0.031 0.376 0.37 0.192 0.55 0.51 0.421 0.67408243902439 0.845122555082644 0.9976 0.9456 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P02 mock treatment 0.753 1.1 1.09 0.34 0.698 0.65 0.066 0.31908243902439 0.400045677707585 1.2342 0.9279 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P03 mock treatment 0.897 1.24 1.23 0.499 0.857 0.79 0.001 0.25408243902439 0.318552728329054 1.3548 0.9021 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P04 mock treatment -0.265 0.0801 0.08 -0.141 0.217 0.2 -0.277 -0.02391756097561 -0.0299863474745129 0.1444 0.663 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P05 mock treatment 0.066 0.411 0.41 -0.011 0.347 0.32 0.303 0.55608243902439 0.69718150851854 0.8238 0.9474 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P06 mock treatment -0.005 0.34 0.34 -0.232 0.126 0.12 -0.4 -0.14691756097561 -0.18419608245235 0.156 0.3879 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P07 mock treatment -0.5 -0.155 -0.15 -0.065 0.293 0.27 -0.069 0.18408243902439 0.230791090536789 0.2007 0.5176 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P08 mock treatment -0.073 0.272 0.27 -0.344 0.0136 0.01 0.548 0.80108243902439 1.00434724079147 0.7433 0.7146 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P09 mock treatment 0.42 0.765 0.76 0.255 0.613 0.57 -0.033 0.22008243902439 0.275925647115668 0.9259 0.9371 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P10 mock treatment 0.024 0.369 0.37 0.04 0.398 0.37 0.004 0.25708243902439 0.322313941377294 0.6105 0.9982 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P11 mock treatment -0.24 0.105 0.1 0.001 0.359 0.33 -0.177 0.07608243902439 0.0953874208001514 0.3071 0.8508 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P12 mock treatment -0.112 0.233 0.23 0.029 0.387 0.36 0.023 0.27608243902439 0.34613495734948 0.5403 0.9837 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P13 mock treatment -0.641 -0.296 -0.29 -0.024 0.334 0.31 -0.115 0.13808243902439 0.173119157130443 0.1084 0.2355 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P14 mock treatment -0.335 0.0101 0.01 0.289 0.647 0.6 -0.337 -0.08391756097561 -0.105210608439311 0.2907 0.4782 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P15 mock treatment 0.672 1.02 1.01 0.04 0.398 0.37 -0.246 0.00708243902438999 0.00887952069063309 0.8015 0.7448 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P16 mock treatment -0.202 0.143 0.14 0.004 0.362 0.33 0.282 0.53508243902439 0.67085301718086 0.6627 0.8684 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P17 mock treatment -0.141 0.204 0.2 0.017 0.375 0.35 -0.041 0.21208243902439 0.265895745653695 0.4709 0.9773 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P18 mock treatment -0.542 -0.197 -0.2 -0.613 -0.255 -0.24 -0.301 -0.04791756097561 -0.0600760518604322 -0.2843 -0.9086 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P19 mock treatment -0.263 0.0821 0.08 -0.127 0.231 0.21 0.108 0.36108243902439 0.452702660382944 0.4318 0.8514 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P20 mock treatment 0.002 0.347 0.35 0.317 0.675 0.62 -0.089 0.16408243902439 0.205716336881856 0.6786 0.9138 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P21 mock treatment -0.135 0.21 0.21 -0.173 0.185 0.17 -0.084 0.16908243902439 0.211985025295589 0.3417 0.9956 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P22 mock treatment 0.049 0.394 0.39 0.099 0.457 0.42 0.148 0.40108243902439 0.50285216769281 0.7606 0.9944 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P23 mock treatment -0.412 -0.0669 -0.07 -0.207 0.151 0.14 -0.329 -0.07591756097561 -0.0951807069773382 -0.0129 -0.0708 1129.0001 ManualSNR(1129.0001) PDI Slides 1129.0001.2412 P24 mock treatment -0.381 -0.0359 -0.04 -0.282 0.0756 0.07 -0.088 0.16508243902439 0.206970074564603 0.1393 0.6292