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 COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A01 compound treatment 3148553.488 -153000.0 -0.17 3558857.143 174000.0 0.18 0.011 0.0448 1965040 CMLD1_000001 CCCC=C(CCC)[C@@H](NC(=O)c1ccccc1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A02 compound treatment 3432054.795 131000.0 0.14 3799486.957 415000.0 0.43 0.4052 0.8927 1965041 CMLD1_000002 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A03 compound treatment 2932816.327 -368000.0 -0.4 3187742.991 -197000.0 -0.2 -0.4272 -0.9517 1965042 CMLD1_000003 CCCC=C(CCC)[C@@H](NC(=O)c1cccs1)c2ccc(cc2)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A04 compound treatment 3236814.516 -64400.0 -0.07 3458058.824 73400.0 0.08 0.0046 0.0442 1965043 CMLD1_000004 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C=C3CN1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A05 compound treatment 3535595.041 234000.0 0.25 3368232.456 -16400.0 -0.02 0.1676 0.6582 1965044 CMLD1_000005 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A06 compound treatment 3166855.932 -134000.0 -0.15 2943510.73 -441000.0 -0.46 -0.4272 -0.888 1965045 CMLD1_000006 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(OC)cc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A07 compound treatment 2958264.463 -343000.0 -0.37 3225082.609 -160000.0 -0.17 -0.3802 -0.9338 1965046 CMLD1_000007 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A08 compound treatment 2808026.549 -493000.0 -0.53 3035743.478 -349000.0 -0.36 -0.6346 -0.9821 1965047 CMLD1_000008 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)c(F)c(F)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A09 compound treatment 2797268.722 -504000.0 -0.55 2605600.0 -779000.0 -0.81 -0.959 -0.9817 1965048 CMLD1_000009 CCCCC=C[C@@H](NC(=O)Oc1cccc(c1)C(F)(F)F)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A10 compound treatment 3246861.111 -54400.0 -0.06 3318872.549 -65800.0 -0.07 -0.09 -0.9973 1965049 CMLD1_000010 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6c[nH]c7ccc(OC)cc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A11 compound treatment 2635364.641 -666000.0 -0.72 2975375.0 -409000.0 -0.43 -0.8113 -0.9682 1965050 CMLD1_000011 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3cccs3)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A12 compound treatment 3093393.782 -208000.0 -0.23 3235111.628 -150000.0 -0.16 -0.2692 -0.9836 1965051 CMLD1_000012 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)o6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A13 compound treatment 3270943.925 -30300.0 -0.03 3176433.333 -208000.0 -0.22 -0.1762 -0.8052 1965052 CMLD1_000013 CCCC=C(CCC)[C@@H](NC(=O)OCC(C)C)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A14 compound treatment 3276081.448 -25100.0 -0.03 3297148.0 -87500.0 -0.09 -0.0836 -0.8804 1965053 CMLD1_000014 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(OC)c(Br)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A15 compound treatment 3117927.039 -183000.0 -0.2 3066828.794 -318000.0 -0.33 -0.3741 -0.9704 1965054 CMLD1_000015 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A16 compound treatment 3121966.245 -179000.0 -0.19 2859758.294 -525000.0 -0.55 -0.5232 -0.9034 1965055 CMLD1_000016 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cccc7ccccc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A17 compound treatment 2872800.0 -428000.0 -0.46 2602354.067 -782000.0 -0.81 -0.9034 -0.9647 1965056 CMLD1_000017 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c2ccc(cc2)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A18 compound treatment 3252475.41 -48800.0 -0.05 3271257.143 -113000.0 -0.12 -0.1207 -0.9346 1965057 CMLD1_000018 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A19 compound treatment 3234524.017 -66700.0 -0.07 3110925.62 -274000.0 -0.28 -0.2523 -0.8595 1965058 CMLD1_000019 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A20 compound treatment 3307541.516 6310.0 0.01 2987062.731 -398000.0 -0.41 -0.2874 -0.6953 1965059 CMLD1_000020 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A21 compound treatment 2767686.441 -534000.0 -0.58 2681940.426 -703000.0 -0.73 -0.9255 -0.9933 1965060 CMLD1_000021 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A22 mock treatment 3229882.353 -71300.0 -0.08 3191766.187 -193000.0 -0.2 -0.1965 -0.9143 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A23 mock treatment 3148614.108 -153000.0 -0.17 2966899.628 -418000.0 -0.43 -0.424 -0.9126 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 A24 mock treatment 2792486.239 -509000.0 -0.55 2829334.783 -555000.0 -0.58 -0.7982 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B01 compound treatment 3885170.306 584000.0 0.63 4753075.314 1370000.0 1.42 1.4535 0.9336 1965061 CMLD1_000022 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B02 compound treatment 4988978.541 1690000.0 1.83 5112404.255 1730000.0 1.8 2.5638 1.0 1965062 CMLD1_000023 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B03 compound treatment 4551652.174 1250000.0 1.36 4933760.181 1550000.0 1.61 2.0973 0.9963 1965063 CMLD1_000024 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B04 compound treatment 3880516.667 579000.0 0.63 4412157.895 1030000.0 1.07 1.1993 0.968 1965064 CMLD1_000025 CCOC(=O)N(CC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5ccccc5)CC4)S(=O)(=O)c6ccc(C)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B05 compound treatment 3993538.462 692000.0 0.75 4232983.539 848000.0 0.88 1.1543 0.9968 1965065 CMLD1_000026 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B06 compound treatment 4135471.91 834000.0 0.9 3905091.371 520000.0 0.54 1.0221 0.9698 1965066 CMLD1_000027 CC(NP(=O)(c1ccccc1)c2ccccc2)C3(CC(=C)c4ccccc4)CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B07 compound treatment 4154211.864 853000.0 0.92 4488148.305 1100000.0 1.15 1.465 0.9943 1965067 CMLD1_000028 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B08 compound treatment 4002207.143 701000.0 0.76 4397756.522 1010000.0 1.05 1.282 0.9872 1965068 CMLD1_000029 COC(=O)C1(C)NCC2=C(C)C(=O)C(C)C2=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B09 compound treatment 4113065.844 812000.0 0.88 4206313.364 822000.0 0.85 1.2263 0.9999 1965069 CMLD1_000030 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCF 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B10 compound treatment 4130983.806 830000.0 0.9 4330426.829 946000.0 0.98 1.3313 0.999 1965070 CMLD1_000031 COC(=O)C1(Cc2ccccc2)NCC3=C(C(C)C)C(=O)C(C)C3=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B11 compound treatment 4101188.811 800000.0 0.87 4448840.909 1060000.0 1.11 1.3955 0.9928 1965071 CMLD1_000032 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B12 compound treatment 3788595.588 487000.0 0.53 3993902.954 609000.0 0.63 0.8215 0.996 1965072 CMLD1_000033 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1CCc5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B13 compound treatment 4214978.07 914000.0 0.99 4168254.032 784000.0 0.81 1.2765 0.9953 1965073 CMLD1_000034 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CC7CC7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B14 compound treatment 4020117.117 719000.0 0.78 4082729.258 698000.0 0.73 1.0642 0.9994 1965074 CMLD1_000035 COc1ccc(COC2OC[C@]3(C)[C@@H]4[C@H]2CCC5C(CO)C(CO)[C@@H](C)C(=C54)CN3C(=O)OC(C)(C)C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B15 compound treatment 3828918.288 528000.0 0.57 4075835.938 691000.0 0.72 0.9126 0.9936 1965075 CMLD1_000036 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B16 compound treatment 3315129.555 13900.0 0.02 3613669.643 229000.0 0.24 0.179 0.7504 1965076 CMLD1_000037 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccc(F)cc5)C=C21)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B17 compound treatment 3658205.575 357000.0 0.39 3865961.24 481000.0 0.5 0.6274 0.992 1965077 CMLD1_000038 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B18 compound treatment 3834593.75 533000.0 0.58 3814665.441 430000.0 0.45 0.725 0.9919 1965078 CMLD1_000039 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B19 compound treatment 3604872.483 304000.0 0.33 4241444.444 857000.0 0.89 0.8625 0.9084 1965079 CMLD1_000040 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C[C@H](O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B20 compound treatment 3792716.475 491000.0 0.53 4033587.755 649000.0 0.67 0.8538 0.9932 1965080 CMLD1_000041 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B21 compound treatment 3404685.43 103000.0 0.11 3859769.231 475000.0 0.49 0.4285 0.8462 1965081 CMLD1_000042 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B22 mock treatment 3429618.868 128000.0 0.14 3461561.404 76900.0 0.08 0.155 0.9653 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B23 mock treatment 3418979.079 118000.0 0.13 3406304.196 21700.0 0.02 0.1062 0.8192 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 B24 mock treatment 2839583.012 -462000.0 -0.5 3233292.969 -151000.0 -0.16 -0.4652 -0.8866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C01 compound treatment 3601959.091 301000.0 0.33 3315665.094 -69000.0 -0.07 0.1799 0.5388 1965082 CMLD1_000043 CCCC=C(CCC)[C@@H](NS(=O)(=O)CC1(CCC2CC1=O)C2(C)C)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C02 compound treatment 1366339.286 -1930000.0 -2.1 1387588.235 -2000000.0 -2.08 -2.9513 -1.0 1965083 CMLD1_000044 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C03 compound treatment 3666168.182 365000.0 0.4 3392750.0 8110.0 0.01 0.2858 0.722 1965084 CMLD1_000045 CCCC=C(CCC)[C@@H](NC(=O)CCc1ccccc1)c2ccc(cc2)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C04 compound treatment 3838346.32 537000.0 0.58 3610537.5 226000.0 0.23 0.5778 0.9202 1965085 CMLD1_000046 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C05 compound treatment 3478557.94 177000.0 0.19 3348179.372 -36500.0 -0.04 0.1092 0.557 1965086 CMLD1_000047 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C06 compound treatment 3219263.359 -82000.0 -0.09 3225429.204 -159000.0 -0.17 -0.1799 -0.9575 1965087 CMLD1_000048 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C=C3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C07 compound treatment 3314616.667 13400.0 0.01 2935968.889 -449000.0 -0.47 -0.3195 -0.6848 1965088 CMLD1_000049 CCCCC=C[C@@H](NC(=O)CCc1ccccc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C08 compound treatment 3106268.293 -195000.0 -0.21 3557570.213 173000.0 0.18 -0.0224 -0.0806 1965089 CMLD1_000050 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(C)onc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C09 compound treatment 2426056.818 -875000.0 -0.95 2684098.485 -701000.0 -0.73 -1.1859 -0.9914 1965090 CMLD1_000051 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4cccc(Cl)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C10 compound treatment 3440106.838 139000.0 0.15 3924017.699 539000.0 0.56 0.5029 0.8663 1965091 CMLD1_000052 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C11 compound treatment 3684298.701 383000.0 0.42 3737031.532 352000.0 0.37 0.5527 0.998 1965092 CMLD1_000053 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3ccccc3)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C12 compound treatment 3359693.277 58500.0 0.06 3468654.45 84000.0 0.09 0.1066 0.9876 1965093 CMLD1_000054 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C[C@H](O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C13 compound treatment 3551315.385 250000.0 0.27 3306089.069 -78600.0 -0.08 0.134 0.4732 1965094 CMLD1_000055 CCCCC=C[C@@H](NC(=O)c1ccccc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C14 compound treatment 3650330.396 349000.0 0.38 3874444.444 490000.0 0.51 0.6276 0.9894 1965095 CMLD1_000056 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C15 compound treatment 2986609.89 -315000.0 -0.34 2822758.242 -562000.0 -0.58 -0.6542 -0.9672 1965096 CMLD1_000057 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C16 compound treatment 3389307.087 88100.0 0.1 3494026.201 109000.0 0.11 0.1479 0.9962 1965097 CMLD1_000058 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C17 compound treatment 3453706.32 152000.0 0.17 3214641.434 -170000.0 -0.18 -0.008 -0.0332 1965098 CMLD1_000059 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NS(=O)(=O)c3cccc4cccnc34)c5ccc(cc5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C18 compound treatment 3576297.959 275000.0 0.3 3853583.333 469000.0 0.49 0.5556 0.9722 1965099 CMLD1_000060 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(OC)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C19 compound treatment 3120894.737 -180000.0 -0.2 3127337.398 -257000.0 -0.27 -0.3274 -0.9881 1965100 CMLD1_000061 CC(C)(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@]2(C)C[C@H]2C3CCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C20 compound treatment 3490446.809 189000.0 0.21 3637613.333 253000.0 0.26 0.331 0.9925 1965101 CMLD1_000062 CCCCC=C[C@@H](NC(=O)OCC#C)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C21 compound treatment 3325506.536 24300.0 0.03 3419697.509 35100.0 0.04 0.0444 0.9873 1965060 CMLD1_000063 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C22 mock treatment 3400065.068 98800.0 0.11 3561357.664 177000.0 0.18 0.2057 0.9671 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C23 mock treatment 3958893.805 658000.0 0.71 3448828.0 64200.0 0.07 0.5514 0.7699 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 C24 mock treatment 3271772.532 -29500.0 -0.03 2893170.543 -491000.0 -0.51 -0.3838 -0.7498 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D01 compound treatment 3593923.077 293000.0 0.32 3725969.163 341000.0 0.35 0.4753 0.9985 1965102 CMLD1_000064 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccccn6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D02 compound treatment 4069694.581 768000.0 0.83 4712490.909 1330000.0 1.38 1.5651 0.9708 1965103 CMLD1_000065 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D03 compound treatment 3664699.187 363000.0 0.39 3979866.935 595000.0 0.62 0.7161 0.9763 1965104 CMLD1_000066 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC)c(OC)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D04 compound treatment 4007933.333 707000.0 0.77 3541888.412 157000.0 0.16 0.6574 0.8391 1965105 CMLD1_000067 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5ccccc5)CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D05 compound treatment 4403645.57 1100000.0 1.2 3703698.925 319000.0 0.33 1.0797 0.8704 1965106 CMLD1_000068 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7nc8ccccc8[nH]7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D06 compound treatment 3914600.0 613000.0 0.67 4032020.747 647000.0 0.67 0.9461 1.0 1965107 CMLD1_000069 CC(=O)N1CC2(CC2)CC1c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D07 compound treatment 3711174.274 410000.0 0.44 3597808.271 213000.0 0.22 0.471 0.9483 1965108 CMLD1_000070 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(O)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D08 compound treatment 3813792.969 513000.0 0.56 3892307.692 508000.0 0.53 0.7661 0.9997 1965109 CMLD1_000071 COC(=O)C1(C)NCC2=C(C(=O)C(C)C2=C1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D09 compound treatment 3175873.134 -125000.0 -0.14 3548205.882 164000.0 0.17 0.0241 0.1108 1965110 CMLD1_000072 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCn7cc(nc7C)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D10 compound treatment 3681653.846 380000.0 0.41 3879185.654 495000.0 0.51 0.6551 0.994 1965111 CMLD1_000073 COC(=O)C1(Cc2ccccc2)NCC3=C(C(=O)C(C)C3=C1)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D11 compound treatment 3879027.237 578000.0 0.63 3937121.094 552000.0 0.57 0.8491 0.9991 1965112 CMLD1_000074 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D12 compound treatment 3747355.634 446000.0 0.48 3783315.126 399000.0 0.41 0.6351 0.997 1965113 CMLD1_000075 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccco5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D13 compound treatment 3130076.596 -171000.0 -0.19 3181062.241 -204000.0 -0.21 -0.2808 -0.9979 1965057 CMLD1_000076 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D14 compound treatment 3397007.752 95800.0 0.1 2878591.216 -506000.0 -0.53 -0.2985 -0.5568 1965114 CMLD1_000077 C[C@@H]1C(CO)C(CO)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D15 compound treatment 3624442.379 323000.0 0.35 3527191.235 143000.0 0.15 0.3526 0.9266 1965115 CMLD1_000078 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D16 compound treatment 3382981.481 81800.0 0.09 3632572.0 248000.0 0.26 0.2449 0.8987 1965116 CMLD1_000079 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccc(F)cc6)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D17 compound treatment 3364320.69 63100.0 0.07 3339676.19 -45000.0 -0.05 0.0153 0.1849 1965117 CMLD1_000080 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D18 compound treatment 3514115.254 213000.0 0.23 3514963.265 130000.0 0.14 0.259 0.9677 1965118 CMLD1_000081 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D19 compound treatment 3462600.619 161000.0 0.17 3237029.091 -148000.0 -0.15 0.0152 0.0654 1965119 CMLD1_000082 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(C)n(C)n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D20 compound treatment 3796734.694 496000.0 0.54 3482240.816 97600.0 0.1 0.4516 0.826 1965120 CMLD1_000083 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D21 compound treatment 3154300.0 -147000.0 -0.16 3131332.0 -253000.0 -0.26 -0.2988 -0.971 1965121 CMLD1_000084 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCF 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D22 mock treatment 3126732.203 -174000.0 -0.19 3423080.972 38400.0 0.04 -0.1055 -0.5458 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D23 mock treatment 2977129.371 -324000.0 -0.35 3091755.319 -293000.0 -0.3 -0.4637 -0.9974 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 D24 mock treatment 2715441.406 -586000.0 -0.64 2721281.369 -663000.0 -0.69 -0.9367 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E01 compound treatment 4098768.889 798000.0 0.86 3929613.333 545000.0 0.57 1.012 0.979 1965122 CMLD1_000085 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E02 compound treatment 4380295.964 1080000.0 1.17 4465964.126 1080000.0 1.12 1.6221 0.9998 1965123 CMLD1_000086 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E03 compound treatment 3665863.83 365000.0 0.4 4037004.975 652000.0 0.68 0.759 0.967 1965124 CMLD1_000087 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccc(cc2)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E04 compound treatment 4095052.632 794000.0 0.86 4021757.447 637000.0 0.66 1.0769 0.9916 1965125 CMLD1_000088 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E05 compound treatment 4651764.444 1350000.0 1.46 4612600.0 1230000.0 1.28 1.938 0.9977 1965126 CMLD1_000089 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E06 compound treatment 4070569.721 769000.0 0.83 4249941.406 865000.0 0.9 1.2258 0.9993 1965127 CMLD1_000090 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E07 compound treatment 3710152.091 409000.0 0.44 3880548.0 496000.0 0.52 0.678 0.9972 1965128 CMLD1_000091 CCCCC=C[C@@H](NC(=O)C(C)(C)C)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E08 compound treatment 4064371.93 763000.0 0.83 4115372.093 731000.0 0.76 1.1222 0.9991 1965129 CMLD1_000092 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCCNc7ncc(cc7Cl)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E09 compound treatment 3855406.504 554000.0 0.6 3744080.645 359000.0 0.37 0.6891 0.9739 1965130 CMLD1_000093 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(=O)OC)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E10 compound treatment 3923410.959 622000.0 0.67 3699154.185 315000.0 0.33 0.7082 0.9447 1965131 CMLD1_000094 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC(F)(F)F)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E11 compound treatment 3950723.577 649000.0 0.7 3947262.5 563000.0 0.58 0.9115 0.9957 1965060 CMLD1_000095 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E12 compound treatment 3983559.184 682000.0 0.74 3662463.035 278000.0 0.29 0.7273 0.9158 1965132 CMLD1_000096 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccccn6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E13 compound treatment 3952253.846 651000.0 0.71 3995601.626 611000.0 0.64 0.9482 0.9986 1965133 CMLD1_000097 CCCCC=C[C@@H](NC(=O)OCc1ccccc1Cl)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E14 compound treatment 4039006.826 738000.0 0.8 3979596.667 595000.0 0.62 1.0029 0.9919 1965134 CMLD1_000098 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E15 compound treatment 3536103.586 235000.0 0.25 3743590.09 359000.0 0.37 0.4439 0.9827 1965135 CMLD1_000099 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(cc3)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E16 compound treatment 3877831.276 577000.0 0.63 3950793.991 566000.0 0.59 0.8582 0.9995 1965136 CMLD1_000100 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cccc7ccccc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E17 compound treatment 3648910.781 348000.0 0.38 3846059.761 461000.0 0.48 0.6057 0.9929 1965137 CMLD1_000101 CC(=CC1CCCCC1)[C@@H](NC(=O)c2cccnc2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E18 compound treatment 3880326.531 579000.0 0.63 3958436.62 574000.0 0.6 0.8657 0.9997 1965138 CMLD1_000102 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC(F)(F)F)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E19 compound treatment 3580139.194 279000.0 0.3 3756329.412 372000.0 0.39 0.487 0.9927 1965139 CMLD1_000103 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3ccc(cc3)c4ccccc4)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E20 compound treatment 4034915.541 734000.0 0.8 4121083.333 736000.0 0.77 1.1038 0.9998 1965140 CMLD1_000104 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E21 compound treatment 3414147.41 113000.0 0.12 3690153.584 306000.0 0.32 0.3111 0.9141 1965141 CMLD1_000105 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccccc2)c3cccc(Cl)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E22 mock treatment 3546368.794 245000.0 0.27 3676720.755 292000.0 0.3 0.4026 0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E23 mock treatment 3598365.019 297000.0 0.32 3607488.889 223000.0 0.23 0.3916 0.9869 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 E24 mock treatment 3157944.882 -143000.0 -0.16 3471392.157 86700.0 0.09 -0.0461 -0.2566 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F01 compound treatment 3869058.296 568000.0 0.62 4591251.082 1210000.0 1.25 1.3222 0.9463 1965142 CMLD1_000106 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CCOCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F02 compound treatment 4451795.455 1150000.0 1.25 4606126.126 1220000.0 1.27 1.7799 1.0 1965143 CMLD1_000107 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F03 compound treatment 4585730.159 1280000.0 1.39 4741758.14 1360000.0 1.41 1.9823 1.0 1965144 CMLD1_000108 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC)c(OC)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F04 compound treatment 4329528.889 1030000.0 1.11 4164043.956 779000.0 0.81 1.3612 0.9877 1965145 CMLD1_000109 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5cccc(OC)c5)CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F05 compound treatment 4421195.021 1120000.0 1.21 4678365.517 1290000.0 1.34 1.8095 0.9987 1965146 CMLD1_000110 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F06 compound treatment 4333040.486 1030000.0 1.12 5034494.118 1650000.0 1.71 2.0037 0.9786 1965147 CMLD1_000111 CC1N(CC(O)(CC21CC2)c3ccccc3)P(=O)(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F07 compound treatment 4171203.008 870000.0 0.94 4675891.213 1290000.0 1.34 1.616 0.9851 1965148 CMLD1_000112 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F08 compound treatment 3787129.63 486000.0 0.53 4764746.939 1380000.0 1.43 1.3869 0.9075 1965149 CMLD1_000113 CCCCCC1=C2CNC(C)(C=C2C(C)C1=O)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F09 compound treatment 3661694.737 360000.0 0.39 4515361.446 1130000.0 1.18 1.1074 0.8941 1965150 CMLD1_000114 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F10 compound treatment 3497549.296 196000.0 0.21 4041244.094 657000.0 0.68 0.6331 0.8856 1965151 CMLD1_000115 CCCCCC1=C2CNC(Cc3ccccc3)(C=C2C(C)C1=O)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F11 compound treatment 3923176.0 622000.0 0.67 4586030.702 1200000.0 1.25 1.3598 0.9582 1965152 CMLD1_000116 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F12 compound treatment 3798905.138 498000.0 0.54 4200475.694 816000.0 0.85 0.9812 0.9762 1965153 CMLD1_000117 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F13 compound treatment 3266065.574 -35200.0 -0.04 3892719.512 508000.0 0.53 0.3465 0.6544 1965154 CMLD1_000118 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(Cl)c(c6)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F14 compound treatment 3211744.755 -89500.0 -0.1 3727831.081 343000.0 0.36 0.1836 0.4967 1965155 CMLD1_000119 C[C@@H]1C(COC(=O)C)C(COC(=O)C)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F15 compound treatment 3784415.493 483000.0 0.52 4094007.491 709000.0 0.74 0.8918 0.986 1965156 CMLD1_000120 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(O)c(OC)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F16 compound treatment 3382049.242 80800.0 0.09 3930650.909 546000.0 0.57 0.4633 0.8067 1965157 CMLD1_000121 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccc(cc5)C(F)(F)F)C=C21)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F17 compound treatment 3542840.0 242000.0 0.26 4149531.008 765000.0 0.8 0.7474 0.8929 1965158 CMLD1_000122 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F18 compound treatment 3467621.053 166000.0 0.18 3876996.139 492000.0 0.51 0.4894 0.902 1965150 CMLD1_000123 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F19 compound treatment 3870354.717 569000.0 0.62 3963973.597 579000.0 0.6 0.8621 0.9999 1965159 CMLD1_000124 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F20 compound treatment 3704441.065 403000.0 0.44 3967244.224 583000.0 0.61 0.7373 0.9872 1965160 CMLD1_000125 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F21 compound treatment 3211281.633 -89900.0 -0.1 3453934.066 69300.0 0.07 -0.018 -0.1488 1965161 CMLD1_000126 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(O)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F22 mock treatment 3320869.565 19600.0 0.02 4014602.273 630000.0 0.65 0.4781 0.7297 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F23 mock treatment 3400453.901 99200.0 0.11 3675131.833 290000.0 0.3 0.2896 0.9034 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 F24 mock treatment 3038876.812 -262000.0 -0.28 3495390.041 111000.0 0.12 -0.1197 -0.3902 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G01 compound treatment 4572901.786 1270000.0 1.38 4695956.311 1310000.0 1.36 1.9388 1.0 1965162 CMLD1_000127 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G02 compound treatment 4610120.37 1310000.0 1.42 4440136.364 1060000.0 1.1 1.7793 0.9919 1965163 CMLD1_000128 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCCNc7ncc(cc7Cl)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G03 compound treatment 3841875.472 541000.0 0.59 3902169.014 518000.0 0.54 0.7949 0.9991 1965164 CMLD1_000129 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccccc1)c2ccc(cc2)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G04 compound treatment 4478570.213 1180000.0 1.28 4418306.22 1030000.0 1.07 1.6624 0.9963 1965165 CMLD1_000130 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3C(=C)C(=O)C=C3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G05 compound treatment 3669248.148 368000.0 0.4 3907858.537 523000.0 0.54 0.6667 0.9884 1965166 CMLD1_000131 CCCC=C(CCC)[C@@H](NS(=O)(=O)CC)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G06 compound treatment 4524296.0 1220000.0 1.33 4442442.982 1060000.0 1.1 1.7152 0.9957 1965167 CMLD1_000132 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C[C@H]3CN1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G07 compound treatment 4176358.065 875000.0 0.95 4130300.0 746000.0 0.78 1.219 0.995 1965168 CMLD1_000133 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G08 compound treatment 3857550.0 556000.0 0.6 3732514.019 348000.0 0.36 0.6822 0.97 1965169 CMLD1_000134 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccccc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G09 compound treatment 3374237.5 73000.0 0.08 4028450.199 644000.0 0.67 0.5292 0.7853 1965170 CMLD1_000135 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccccc3C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G10 compound treatment 3762736.17 462000.0 0.5 3920896.104 536000.0 0.56 0.748 0.9986 1965171 CMLD1_000136 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)c(F)c(F)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G11 compound treatment 3614663.082 313000.0 0.34 3709217.532 325000.0 0.34 0.4789 1.0 1965172 CMLD1_000137 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G12 compound treatment 3483942.085 183000.0 0.2 3516962.121 132000.0 0.14 0.2373 0.9841 1965173 CMLD1_000138 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(Cl)c(c6)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G13 compound treatment 3548514.599 247000.0 0.27 3584879.167 200000.0 0.21 0.3368 0.9922 1965174 CMLD1_000139 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G14 compound treatment 3610658.703 309000.0 0.34 4094696.154 710000.0 0.74 0.7591 0.9363 1965175 CMLD1_000140 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G15 compound treatment 3430694.656 129000.0 0.14 3217784.127 -167000.0 -0.17 -0.0234 -0.1048 1965176 CMLD1_000141 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G16 compound treatment 3553613.445 252000.0 0.27 3366307.432 -18300.0 -0.02 0.18 0.6563 1965177 CMLD1_000142 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(nc7)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G17 compound treatment 3990992.126 690000.0 0.75 3593167.939 209000.0 0.22 0.6821 0.876 1965178 CMLD1_000143 CC(=CC1CCCCC1)[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G18 compound treatment 3562463.333 261000.0 0.28 4139303.797 755000.0 0.78 0.7549 0.9052 1965179 CMLD1_000144 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC(F)(F)F)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G19 compound treatment 3948715.953 647000.0 0.7 3423797.297 39200.0 0.04 0.5252 0.7468 1965180 CMLD1_000145 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccccc3C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G20 compound treatment 3966065.217 665000.0 0.72 3955977.612 571000.0 0.59 0.9296 0.9954 1965181 CMLD1_000146 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(OC)c(Br)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G21 compound treatment 3567240.283 266000.0 0.29 3498157.509 114000.0 0.12 0.2874 0.9222 1965182 CMLD1_000147 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C[C@H]3CN1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G22 mock treatment 3638760.135 338000.0 0.37 3437116.667 52500.0 0.05 0.2973 0.8036 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G23 mock treatment 3185946.619 -115000.0 -0.12 3317178.707 -67500.0 -0.07 -0.138 -0.9627 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 G24 mock treatment 3175778.226 -125000.0 -0.14 3546968.75 162000.0 0.17 0.0231 0.1067 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H01 compound treatment 3741482.609 440000.0 0.48 4799847.716 1420000.0 1.47 1.3777 0.8908 1965183 CMLD1_000148 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H02 compound treatment 4611509.653 1310000.0 1.42 5378657.143 1990000.0 2.07 2.4701 0.983 1965184 CMLD1_000149 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(nc7)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H03 compound treatment 4679551.02 1380000.0 1.49 5041644.144 1660000.0 1.72 2.2746 0.9975 1965185 CMLD1_000150 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H04 compound treatment 3075331.633 -226000.0 -0.24 3226227.941 -158000.0 -0.16 -0.2896 -0.9813 1965186 CMLD1_000151 CCCC[C@H]1C[C@@H]1[C@@H]2N(C[C@](O)(CC32CC3)c4ccccc4)P(=O)(c5ccccc5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H05 compound treatment 4084380.753 783000.0 0.85 4733616.858 1350000.0 1.4 1.5919 0.9711 1965187 CMLD1_000152 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7nc8ccccc8[nH]7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H06 compound treatment 4188226.923 887000.0 0.96 4885813.043 1500000.0 1.56 1.7834 0.973 1965147 CMLD1_000153 CC1N(CC(O)(CC21CC2)c3ccccc3)P(=O)(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H07 compound treatment 3762616.601 461000.0 0.5 4825682.353 1440000.0 1.5 1.4129 0.8947 1965188 CMLD1_000154 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H08 compound treatment 3613231.511 312000.0 0.34 4591991.736 1210000.0 1.25 1.1266 0.8668 1965189 CMLD1_000155 CCCC1(NCC2=C(C)C(=O)C(C)C2=C1)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H09 compound treatment 3595909.42 295000.0 0.32 4674541.985 1290000.0 1.34 1.174 0.8518 1965190 CMLD1_000156 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H10 compound treatment 3389913.793 88700.0 0.1 4481827.068 1100000.0 1.14 0.8744 0.764 1965191 CMLD1_000157 COC(=O)C1(CC(C)C)NCC2=C(C)C(=O)C(C)C2=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H11 compound treatment 3533901.024 233000.0 0.25 4101672.185 717000.0 0.75 0.7054 0.8965 1965192 CMLD1_000158 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H12 compound treatment 3417350.195 116000.0 0.13 4251327.068 867000.0 0.9 0.726 0.7982 1965193 CMLD1_000159 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H13 compound treatment 3238130.137 -63100.0 -0.07 4380241.636 996000.0 1.03 0.6834 0.6589 1965194 CMLD1_000160 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H14 compound treatment 3288213.816 -13000.0 -0.01 4419433.735 1030000.0 1.08 0.7506 0.6978 1965195 CMLD1_000161 C[C@@H]1C2COC(=O)OCC2C3CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@]6(C)[C@H]4C3=C1CN6C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H15 compound treatment 3221600.0 -79600.0 -0.09 4101505.535 717000.0 0.75 0.4658 0.621 1965196 CMLD1_000162 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H16 compound treatment 3009091.603 -292000.0 -0.32 4029638.132 645000.0 0.67 0.2501 0.3373 1965197 CMLD1_000163 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccc(cc6)C(F)(F)F)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H17 compound treatment 3184301.887 -117000.0 -0.13 3968172.638 584000.0 0.61 0.3392 0.5475 1965198 CMLD1_000164 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H18 compound treatment 3338708.772 37500.0 0.04 3785241.509 401000.0 0.42 0.3232 0.7725 1965199 CMLD1_000165 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CC7CC7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H19 compound treatment 2952042.403 -349000.0 -0.38 3977197.842 593000.0 0.62 0.1678 0.2321 1965200 CMLD1_000166 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H20 compound treatment 3089652.174 -212000.0 -0.23 3923558.528 539000.0 0.56 0.2339 0.3864 1965201 CMLD1_000167 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H21 compound treatment 3314749.186 13500.0 0.01 3647024.055 262000.0 0.27 0.2032 0.744 1965202 CMLD1_000168 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H22 mock treatment 3342674.603 41400.0 0.04 3985569.853 601000.0 0.62 0.4734 0.756 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H23 mock treatment 3287247.059 -14000.0 -0.02 3869395.604 485000.0 0.5 0.3456 0.6855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 H24 mock treatment 3121174.274 -180000.0 -0.2 3513249.11 129000.0 0.13 -0.0435 -0.1839 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I01 compound treatment 4314660.633 1010000.0 1.1 4281186.869 897000.0 0.93 1.4359 0.9966 1965203 CMLD1_000169 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I02 compound treatment 4120086.758 819000.0 0.89 4321005.025 936000.0 0.97 1.316 0.9989 1965204 CMLD1_000170 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6nc7ccccc7[nH]6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I03 compound treatment 4188074.51 887000.0 0.96 3716949.58 332000.0 0.35 0.9242 0.9045 1965205 CMLD1_000171 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I04 compound treatment 4306978.07 1010000.0 1.09 3741116.279 356000.0 0.37 1.0331 0.897 1965206 CMLD1_000172 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC(F)(F)F)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I05 compound treatment 4273542.986 972000.0 1.05 3428388.889 43700.0 0.05 0.7776 0.7369 1965207 CMLD1_000173 CCCC=C(CCC)[C@@H](NC(=O)c1ccco1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I06 compound treatment 4543884.444 1240000.0 1.35 3856268.421 472000.0 0.49 1.2994 0.9063 1965208 CMLD1_000174 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I07 compound treatment 4013276.364 712000.0 0.77 3617290.909 233000.0 0.24 0.7169 0.8861 1965209 CMLD1_000175 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I08 compound treatment 3742110.727 441000.0 0.48 4068840.909 684000.0 0.71 0.8409 0.9813 1965210 CMLD1_000176 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I09 compound treatment 3463912.5 163000.0 0.18 4262164.502 878000.0 0.91 0.7697 0.8285 1965211 CMLD1_000177 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I10 compound treatment 3697117.871 396000.0 0.43 4017713.115 633000.0 0.66 0.7688 0.9786 1965212 CMLD1_000178 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(Cl)c(c6)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I11 compound treatment 2239438.017 -1060000.0 -1.15 1720481.481 -1660000.0 -1.73 -2.0372 -0.9804 1965213 CMLD1_000179 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I12 compound treatment 3563433.962 262000.0 0.28 3680545.455 296000.0 0.31 0.4185 0.9992 1965214 CMLD1_000180 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I13 compound treatment 3704644.928 403000.0 0.44 3998467.925 614000.0 0.64 0.7604 0.983 1965215 CMLD1_000181 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I14 compound treatment 3400969.466 99700.0 0.11 4072206.478 688000.0 0.71 0.5818 0.8049 1965216 CMLD1_000182 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C[C@H]3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I15 compound treatment 3142664.474 -159000.0 -0.17 3749178.832 365000.0 0.38 0.1464 0.3517 1965217 CMLD1_000183 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I16 compound treatment 3574180.723 273000.0 0.3 3840287.313 456000.0 0.47 0.5442 0.9744 1965218 CMLD1_000184 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I17 compound treatment 3335903.78 34700.0 0.04 3574525.362 190000.0 0.2 0.1661 0.8269 1965219 CMLD1_000185 COC(=O)c1ccc(cc1)[C@H](NC(=O)c2ccccc2)[C@]3(C)C[C@H]3C4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I18 compound treatment 3739629.63 438000.0 0.48 3906200.0 522000.0 0.54 0.7195 0.9979 1965220 CMLD1_000186 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC(F)(F)F)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I19 compound treatment 3441453.608 140000.0 0.15 3346745.455 -37900.0 -0.04 0.0797 0.5072 1965221 CMLD1_000187 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccccc3C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I20 compound treatment 3750400.0 449000.0 0.49 3945336.879 561000.0 0.58 0.7565 0.996 1965222 CMLD1_000188 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I21 compound treatment 3788273.05 487000.0 0.53 3785898.833 401000.0 0.42 0.6683 0.9932 1965223 CMLD1_000189 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CC6CC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I22 mock treatment 3774927.757 474000.0 0.51 3909100.0 524000.0 0.55 0.7486 0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I23 mock treatment 4151390.558 850000.0 0.92 3855287.879 471000.0 0.49 0.9977 0.9561 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 I24 mock treatment 3639459.227 338000.0 0.37 3417765.125 33100.0 0.03 0.2837 0.7701 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J01 compound treatment 4594008.969 1290000.0 1.4 4968429.204 1580000.0 1.65 2.1552 0.9968 1965224 CMLD1_000190 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J02 compound treatment 4670694.836 1370000.0 1.48 4548509.901 1160000.0 1.21 1.9054 0.9948 1965225 CMLD1_000191 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J03 compound treatment 4389647.773 1090000.0 1.18 5263539.535 1880000.0 1.95 2.2154 0.9709 1965226 CMLD1_000192 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(nc7)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J04 compound treatment 4538507.538 1240000.0 1.34 3879324.675 495000.0 0.51 1.3122 0.9133 1965227 CMLD1_000193 CCCC[C@H]1C[C@@H]1[C@@H]2N([C@@](CO)(CC32CC3)c4ccccc4)P(=O)(c5ccccc5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J05 compound treatment 4675000.0 1370000.0 1.49 4657726.891 1270000.0 1.32 1.9889 0.9983 1965228 CMLD1_000194 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccsc7Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J06 compound treatment 4574524.194 1270000.0 1.38 4877647.321 1490000.0 1.55 2.0735 0.9983 1965229 CMLD1_000195 OC1(CN(CC2(CC2)C1)P(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J07 compound treatment 4579861.538 1280000.0 1.39 4879464.912 1490000.0 1.55 2.079 0.9984 1965230 CMLD1_000196 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J08 compound treatment 4153931.507 853000.0 0.92 4656164.609 1270000.0 1.32 1.5883 0.9847 1965231 CMLD1_000197 CCCC1(NCC2=C(C(C)C)C(=O)C(C)C2=C1)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J09 compound treatment 3946848.739 646000.0 0.7 4350376.147 966000.0 1.0 1.2048 0.9845 1965232 CMLD1_000198 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J10 compound treatment 4051894.161 751000.0 0.81 4584805.054 1200000.0 1.25 1.4576 0.9786 1965233 CMLD1_000199 COC(=O)C1(CC(C)C)NCC2=C(C(C)C)C(=O)C(C)C2=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J11 compound treatment 4162289.063 861000.0 0.93 4535936.759 1150000.0 1.2 1.5063 0.9925 1965234 CMLD1_000200 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J12 compound treatment 4152345.324 851000.0 0.92 4325302.128 941000.0 0.98 1.3439 0.9996 1965235 CMLD1_000201 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5cccc(Cl)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J13 compound treatment 3992579.71 691000.0 0.75 4416791.822 1030000.0 1.07 1.2887 0.9846 1965236 CMLD1_000202 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J14 compound treatment 3743833.922 443000.0 0.48 4231848.148 847000.0 0.88 0.962 0.9593 1965237 CMLD1_000203 CC[C@@H]1C(COC(=O)C)C(COC(=O)C)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J15 compound treatment 3835886.719 535000.0 0.58 4062403.846 678000.0 0.7 0.9081 0.9953 1965238 CMLD1_000204 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J16 compound treatment 3520498.339 219000.0 0.24 3926457.143 542000.0 0.56 0.5663 0.9264 1965239 CMLD1_000205 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J17 compound treatment 3817114.068 516000.0 0.56 4207720.539 823000.0 0.86 1.0005 0.9788 1965240 CMLD1_000206 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J18 compound treatment 3609345.638 308000.0 0.33 3828269.076 444000.0 0.46 0.5623 0.9875 1965241 CMLD1_000207 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCn6cc(nc6C)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J19 compound treatment 3559581.169 258000.0 0.28 3936944.625 552000.0 0.57 0.604 0.9456 1965242 CMLD1_000208 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J20 compound treatment 3165500.0 -136000.0 -0.15 3873993.197 489000.0 0.51 0.2556 0.4827 1965243 CMLD1_000209 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J21 compound treatment 3640712.838 339000.0 0.37 4066198.697 682000.0 0.71 0.7612 0.9535 1965244 CMLD1_000210 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J22 mock treatment 3458442.568 157000.0 0.17 3721815.972 337000.0 0.35 0.3683 0.9452 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J23 mock treatment 3453773.852 153000.0 0.17 3690931.741 306000.0 0.32 0.3421 0.9535 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 J24 mock treatment 3221039.146 -80200.0 -0.09 3415455.319 30800.0 0.03 -0.0388 -0.4191 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K01 compound treatment 4062247.934 761000.0 0.83 4205415.966 821000.0 0.85 1.1867 0.9999 1965245 CMLD1_000211 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K02 compound treatment 4412411.985 1110000.0 1.2 4543194.57 1160000.0 1.2 1.7034 1.0 1965246 CMLD1_000212 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8cc(F)ccc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K03 compound treatment 3936425.373 635000.0 0.69 4087157.676 703000.0 0.73 1.0033 0.9996 1965247 CMLD1_000213 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K04 compound treatment 4668131.474 1370000.0 1.48 4070092.105 685000.0 0.71 1.5518 0.9437 1965248 CMLD1_000214 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)c(F)c(F)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K05 compound treatment 4108342.007 807000.0 0.88 4036182.203 652000.0 0.68 1.0977 0.992 1965249 CMLD1_000215 CCCC=C(CCC)[C@@H](NC(=O)C(C)(C)C)c1ccc(cc1)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K06 compound treatment 4093079.137 792000.0 0.86 4506441.964 1120000.0 1.17 1.4316 0.9887 1965250 CMLD1_000216 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)c(F)c(F)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K07 compound treatment 3776496.689 475000.0 0.52 4174389.286 790000.0 0.82 0.9448 0.9748 1965251 CMLD1_000217 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)C(=O)OC)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K08 compound treatment 4271645.669 970000.0 1.05 4297224.576 913000.0 0.95 1.4147 0.9987 1965252 CMLD1_000218 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6c[nH]c7ccc(O)cc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K09 compound treatment 3700819.495 400000.0 0.43 3988613.333 604000.0 0.63 0.7503 0.9836 1965253 CMLD1_000219 CCCC=C(CCC)[C@@H](NC(=O)Cc1ccccc1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K10 compound treatment 4221728.0 921000.0 1.0 4296121.849 911000.0 0.95 1.3757 0.9997 1965254 CMLD1_000220 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(Cl)c(c7)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K11 compound treatment 3530206.897 229000.0 0.25 4089103.004 704000.0 0.73 0.6933 0.8967 1965255 CMLD1_000221 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K12 compound treatment 4085690.476 784000.0 0.85 4015467.29 631000.0 0.66 1.0651 0.9917 1965256 CMLD1_000222 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(OC)cc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K13 compound treatment 3112171.171 -189000.0 -0.2 3615526.57 231000.0 0.24 0.0247 0.0784 1965257 CMLD1_000223 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K14 compound treatment 4171975.862 871000.0 0.94 4299035.714 914000.0 0.95 1.3397 1.0 1965258 CMLD1_000224 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K15 compound treatment 3721734.44 421000.0 0.46 3714386.282 330000.0 0.34 0.5648 0.9901 1965259 CMLD1_000225 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccnc2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K16 compound treatment 4006200.0 705000.0 0.76 4389727.642 1010000.0 1.04 1.2792 0.9882 1965260 CMLD1_000226 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K17 compound treatment 3652687.5 351000.0 0.38 4110574.074 726000.0 0.75 0.803 0.9499 1965261 CMLD1_000227 COC(=O)c1ccc(cc1)[C@H](NC(=O)c2ccco2)[C@]3(C)C[C@H]3C4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K18 compound treatment 4095884.615 795000.0 0.86 4398597.786 1010000.0 1.05 1.3545 0.995 1965262 CMLD1_000228 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K19 compound treatment 3736469.751 435000.0 0.47 3875589.286 491000.0 0.51 0.6945 0.9992 1965263 CMLD1_000229 CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K20 compound treatment 3777411.765 476000.0 0.52 3843727.273 459000.0 0.48 0.7025 0.9992 1965264 CMLD1_000230 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)c(F)c7F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K21 compound treatment 4025529.412 724000.0 0.79 3936143.86 552000.0 0.57 0.9607 0.988 1965265 CMLD1_000231 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)o6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K22 mock treatment 4166735.075 866000.0 0.94 3814519.713 430000.0 0.45 0.9795 0.9424 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K23 mock treatment 3984593.985 683000.0 0.74 3892314.41 508000.0 0.53 0.8971 0.9862 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 K24 mock treatment 3323614.173 22400.0 0.02 3535845.283 151000.0 0.16 0.1283 0.8068 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L01 compound treatment 3762686.636 461000.0 0.5 4910043.86 1530000.0 1.59 1.4749 0.8871 1965266 CMLD1_000232 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L02 compound treatment 4896785.441 1600000.0 1.73 4966987.013 1580000.0 1.64 2.3863 0.9997 1965267 CMLD1_000233 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L03 compound treatment 4453465.217 1150000.0 1.25 5553083.7 2170000.0 2.25 2.4772 0.9613 1965268 CMLD1_000234 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L04 compound treatment 4924042.017 1620000.0 1.76 4916687.273 1530000.0 1.59 2.3702 0.9988 1965269 CMLD1_000235 CCCC[C@H]1C[C@@H]1[C@@H]2N([C@@H](CC32CC3)c4cccc(OC)c4)C(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L05 compound treatment 4362423.077 1060000.0 1.15 4445497.674 1060000.0 1.1 1.5933 0.9998 1965270 CMLD1_000236 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7cc8ccccc8[nH]7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L06 compound treatment 4402064.846 1100000.0 1.19 5172866.953 1790000.0 1.86 2.1583 0.9771 1965271 CMLD1_000237 C=C(CC1(CNP(=O)(c2ccccc2)c3ccccc3)CC1)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L07 compound treatment 4137053.381 836000.0 0.91 5188889.328 1800000.0 1.88 1.9669 0.9443 1965272 CMLD1_000238 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L08 compound treatment 4368962.069 1070000.0 1.16 4593906.977 1210000.0 1.26 1.7074 0.9992 1965273 CMLD1_000239 CCCC1(NCC2=C(C(=O)C(C)C2=C1)c3ccccc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L09 compound treatment 4433962.687 1130000.0 1.23 4641392.562 1260000.0 1.31 1.7921 0.9995 1965274 CMLD1_000240 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(O)c(OC)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L10 compound treatment 4243894.04 943000.0 1.02 4962706.767 1580000.0 1.64 1.8826 0.9741 1965275 CMLD1_000241 COC(=O)C1(CC(C)C)NCC2=C(C(=O)C(C)C2=C1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L11 compound treatment 4647615.079 1350000.0 1.46 5115804.082 1730000.0 1.8 2.3046 0.9946 1965276 CMLD1_000242 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L12 compound treatment 4486165.441 1180000.0 1.28 4411110.599 1030000.0 1.07 1.6629 0.9957 1965277 CMLD1_000243 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5cc(F)cc(F)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L13 compound treatment 4433047.445 1130000.0 1.23 4464255.906 1080000.0 1.12 1.6612 0.999 1965278 CMLD1_000244 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L14 compound treatment 4322893.536 1020000.0 1.11 4397625.0 1010000.0 1.05 1.5278 0.9997 1965279 CMLD1_000245 CC[C@@H]1C2COC(=O)OCC2C3CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@]6(C)[C@H]4C3=C1CN6C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L15 compound treatment 4482158.451 1180000.0 1.28 4529585.185 1140000.0 1.19 1.7469 0.9993 1965280 CMLD1_000246 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L16 compound treatment 4200829.787 900000.0 0.98 4388083.019 1000000.0 1.04 1.4272 0.9994 1965281 CMLD1_000247 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccccc6)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L17 compound treatment 4293935.361 993000.0 1.08 4547916.981 1160000.0 1.21 1.6161 0.9983 1965282 CMLD1_000248 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSC(=N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L18 compound treatment 3954867.987 654000.0 0.71 4264885.017 880000.0 0.91 1.1481 0.992 1965079 CMLD1_000249 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C[C@H](O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L19 compound treatment 3852766.393 552000.0 0.6 4343978.261 959000.0 1.0 1.1279 0.9701 1965283 CMLD1_000250 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8cc(F)ccc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L20 compound treatment 3981566.343 680000.0 0.74 4209019.934 824000.0 0.86 1.1275 0.9972 1965284 CMLD1_000251 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L21 compound treatment 3922867.347 622000.0 0.67 4156159.091 772000.0 0.8 1.0437 0.9963 1965285 CMLD1_000252 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CNCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L22 mock treatment 3679283.439 378000.0 0.41 3729651.822 345000.0 0.36 0.5434 0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L23 mock treatment 3395989.547 94800.0 0.1 3730037.543 345000.0 0.36 0.3265 0.8744 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 L24 mock treatment 3133695.652 -168000.0 -0.18 3369432.432 -15200.0 -0.02 -0.1396 -0.7658 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M01 compound treatment 2982132.743 -319000.0 -0.35 3368262.222 -16400.0 -0.02 -0.2567 -0.741 1965286 CMLD1_000253 CCCC=C(CCC)[C@@H](NC(=O)c1cccs1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M02 compound treatment 3821757.353 521000.0 0.56 4157887.029 773000.0 0.8 0.9674 0.985 1965287 CMLD1_000254 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C=C3CN1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M03 compound treatment 2861695.652 -440000.0 -0.48 3427031.963 42400.0 0.04 -0.3058 -0.639 1965288 CMLD1_000255 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c2ccc(cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M04 compound treatment 3621822.314 321000.0 0.35 3386125.0 1480.0 0.0 0.2469 0.7102 1965289 CMLD1_000256 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(C)onc7c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M05 compound treatment 3349972.603 48700.0 0.05 3871783.27 487000.0 0.51 0.3954 0.7767 1965290 CMLD1_000257 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M06 compound treatment 3706623.529 405000.0 0.44 3693742.081 309000.0 0.32 0.538 0.9881 1965090 CMLD1_000258 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4cccc(Cl)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M07 compound treatment 3615006.452 314000.0 0.34 3460633.803 76000.0 0.08 0.2964 0.8487 1965291 CMLD1_000259 CCCCC=C[C@@H](NC(=O)c1ccco1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M08 compound treatment 3557124.528 256000.0 0.28 3613311.203 229000.0 0.24 0.3643 0.997 1965292 CMLD1_000260 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C=C3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M09 compound treatment 3094655.022 -207000.0 -0.22 2757534.722 -627000.0 -0.65 -0.6193 -0.8985 1965293 CMLD1_000261 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)OCc2ccccc2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M10 compound treatment 3933658.824 632000.0 0.69 4054679.654 670000.0 0.7 0.9773 1.0 1965294 CMLD1_000262 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCCNc6ccc(cc6Cl)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M11 compound treatment 3359879.518 58700.0 0.06 3505386.1 121000.0 0.13 0.1337 0.9504 1965295 CMLD1_000263 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccnc2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M12 compound treatment 3643937.5 343000.0 0.37 3463061.135 78400.0 0.08 0.3204 0.8422 1965296 CMLD1_000264 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(OC)c(Br)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M13 compound treatment 3011305.994 -290000.0 -0.31 2927601.449 -457000.0 -0.48 -0.5582 -0.9799 1965297 CMLD1_000265 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M14 compound treatment 3504721.774 203000.0 0.22 3140244.361 -244000.0 -0.25 -0.0236 -0.0702 1965298 CMLD1_000266 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M15 compound treatment 3610989.51 310000.0 0.34 3643675.214 259000.0 0.27 0.4279 0.994 1965299 CMLD1_000267 CCCC[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c2cccc3cccnc23)c4ccc(cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M16 compound treatment 3441481.728 140000.0 0.15 3631847.737 247000.0 0.26 0.2892 0.9687 1965300 CMLD1_000268 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(O)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M17 compound treatment 3191618.729 -110000.0 -0.12 3318373.626 -66300.0 -0.07 -0.1327 -0.9664 1965301 CMLD1_000269 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c2cccc3cccnc23)c4ccc(Cl)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M18 compound treatment 3573300.971 272000.0 0.29 3842294.776 458000.0 0.48 0.545 0.9736 1965302 CMLD1_000270 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C[C@H]3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M19 compound treatment 3167671.642 -134000.0 -0.14 2971296.928 -413000.0 -0.43 -0.4062 -0.8959 1965303 CMLD1_000271 CCCC=C(CCC)[C@@H](NC(=O)Oc1ccc(F)cc1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M20 compound treatment 3667323.741 366000.0 0.4 3432537.671 47900.0 0.05 0.3159 0.7896 1965304 CMLD1_000272 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M21 mock treatment 3105129.139 -196000.0 -0.21 3225837.931 -159000.0 -0.17 -0.2671 -0.9922 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M22 mock treatment 3408394.822 107000.0 0.12 3147216.028 -237000.0 -0.25 -0.0923 -0.3385 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M23 mock treatment 3639273.469 338000.0 0.37 3248452.915 -136000.0 -0.14 0.1591 0.4049 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 M24 mock treatment 3125276.753 -176000.0 -0.19 2747549.407 -637000.0 -0.66 -0.6031 -0.8752 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N01 compound treatment 3464265.56 163000.0 0.18 3945704.036 561000.0 0.58 0.5374 0.8818 1965305 CMLD1_000273 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CNCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N02 compound treatment 3860149.606 559000.0 0.61 4600933.071 1220000.0 1.26 1.3225 0.9433 1965306 CMLD1_000274 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N03 compound treatment 4018019.011 717000.0 0.78 4602516.529 1220000.0 1.27 1.4447 0.9726 1965307 CMLD1_000275 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)o6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N04 compound treatment 3819926.199 519000.0 0.56 3916600.0 532000.0 0.55 0.7887 1.0 1965308 CMLD1_000276 COC(=O)c1ccc(C#CC(NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N05 compound treatment 4183227.273 882000.0 0.96 3936346.667 552000.0 0.57 1.0817 0.9701 1965309 CMLD1_000277 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)c(F)c7F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N06 compound treatment 4067528.958 766000.0 0.83 4319319.549 935000.0 0.97 1.2745 0.997 1965310 CMLD1_000278 O=P(NCC1(CC2(CO2)c3ccccc3)CC1)(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N07 compound treatment 3983822.581 683000.0 0.74 4545424.107 1160000.0 1.21 1.3765 0.9725 1965311 CMLD1_000279 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N08 compound treatment 4034363.309 733000.0 0.79 4376144.628 992000.0 1.03 1.2908 0.9918 1965312 CMLD1_000280 CCCCCC1=C2CNC(CCC)(C=C2C(C)C1=O)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N09 compound treatment 4284176.259 983000.0 1.07 4070968.127 686000.0 0.71 1.2581 0.9809 1965313 CMLD1_000281 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CCOCC7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N10 compound treatment 4067900.0 767000.0 0.83 4533493.827 1150000.0 1.19 1.4322 0.9843 1965314 CMLD1_000282 CCCCCC1=C2CNC(CC(C)C)(C=C2C(C)C1=O)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N11 compound treatment 3674806.818 374000.0 0.41 4592442.688 1210000.0 1.26 1.1741 0.8901 1965315 CMLD1_000283 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(C)n(C)n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N12 compound treatment 4017674.603 716000.0 0.78 3966655.963 582000.0 0.6 0.9771 0.9924 1965316 CMLD1_000284 COC1OC[C@]2(C)[C@@H]3[C@H]1CCC4C(CO)C(CO)[C@@H](C)C(=C43)CN2C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N13 compound treatment 3656187.05 355000.0 0.38 3889714.912 505000.0 0.52 0.6434 0.9884 1965317 CMLD1_000285 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N14 compound treatment 3549302.326 248000.0 0.27 3770807.692 386000.0 0.4 0.474 0.981 1965318 CMLD1_000286 CC[C@@H]1C(COC)C(COC)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N15 compound treatment 3683301.418 382000.0 0.41 4085335.793 701000.0 0.73 0.8079 0.9642 1965319 CMLD1_000287 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N16 compound treatment 3405562.992 104000.0 0.11 3457374.517 72700.0 0.08 0.1334 0.9808 1965320 CMLD1_000288 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccccc5)C=C21)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N17 compound treatment 3355202.658 54000.0 0.06 3814592.275 430000.0 0.45 0.3574 0.7929 1965321 CMLD1_000289 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N18 compound treatment 3644086.331 343000.0 0.37 3689363.636 305000.0 0.32 0.4868 0.9968 1965322 CMLD1_000290 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N19 compound treatment 3348221.774 47000.0 0.05 3582354.717 198000.0 0.21 0.1813 0.8565 1965323 CMLD1_000291 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(O)cc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N20 compound treatment 3641697.749 340000.0 0.37 3496457.875 112000.0 0.12 0.3432 0.8868 1965324 CMLD1_000292 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N21 mock treatment 3247791.667 -53400.0 -0.06 3461980.0 77300.0 0.08 0.0159 0.1602 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N22 mock treatment 3213288.591 -87900.0 -0.1 3133402.685 -251000.0 -0.26 -0.2521 -0.9067 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N23 mock treatment 3112973.384 -188000.0 -0.2 3225391.941 -159000.0 -0.17 -0.2614 -0.9946 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 N24 mock treatment 2712462.222 -589000.0 -0.64 3024780.303 -360000.0 -0.37 -0.7159 -0.9676 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O01 compound treatment 3317083.004 15900.0 0.02 3408668.203 24000.0 0.02 0.0298 0.9834 1965325 CMLD1_000293 CCCC=C(CCC)[C@@H](NC(=O)OCC(C)C)c1ccc(cc1)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O02 compound treatment 3055179.775 -246000.0 -0.27 3520563.492 136000.0 0.14 -0.0887 -0.294 1965326 CMLD1_000294 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O03 compound treatment 3535982.456 235000.0 0.25 3808916.981 424000.0 0.44 0.4918 0.9659 1965327 CMLD1_000295 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O04 compound treatment 4078962.81 778000.0 0.84 3996642.276 612000.0 0.64 1.0461 0.9903 1965268 CMLD1_000296 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O05 compound treatment 2690365.385 -611000.0 -0.66 2460602.871 -924000.0 -0.96 -1.1475 -0.9835 1965328 CMLD1_000297 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccs1)c2ccc(cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O06 compound treatment 4281901.024 981000.0 1.06 3936016.878 551000.0 0.57 1.1571 0.9579 1965329 CMLD1_000298 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O07 compound treatment 2978375.427 -323000.0 -0.35 3149454.183 -235000.0 -0.24 -0.4204 -0.9846 1965330 CMLD1_000299 CCCCC=C[C@@H](NC(=O)c1cccs1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O08 compound treatment 4148664.179 847000.0 0.92 4238702.326 854000.0 0.89 1.2774 0.9999 1965331 CMLD1_000300 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O09 compound treatment 3357648.855 56400.0 0.06 3402992.248 18300.0 0.02 0.0567 0.8855 1965332 CMLD1_000301 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O10 compound treatment 3922510.121 621000.0 0.67 3449590.164 64900.0 0.07 0.5241 0.7741 1965333 CMLD1_000302 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C[C@H]3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O11 compound treatment 3696253.731 395000.0 0.43 4005617.021 621000.0 0.65 0.7593 0.9802 1965334 CMLD1_000303 CCCC=C(CCC)[C@@H](NC(=O)c1ccccc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O12 compound treatment 3896050.209 595000.0 0.64 3289760.684 -94900.0 -0.1 0.3863 0.5921 1965335 CMLD1_000304 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(OC)c(Br)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O13 compound treatment 3898008.197 597000.0 0.65 3959520.492 575000.0 0.6 0.8801 0.9992 1965336 CMLD1_000305 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O14 compound treatment 4173170.404 872000.0 0.95 4153883.534 769000.0 0.8 1.2339 0.9965 1965337 CMLD1_000306 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccsc7Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O15 compound treatment 3952274.9 651000.0 0.71 4056582.96 672000.0 0.7 0.993 1.0 1965338 CMLD1_000307 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O16 compound treatment 3841607.843 540000.0 0.59 3994344.398 610000.0 0.63 0.8624 0.9992 1965339 CMLD1_000308 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6nc7ccccc7[nH]6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O17 compound treatment 3224641.434 -76600.0 -0.08 3503156.682 119000.0 0.12 0.0284 0.1911 1965340 CMLD1_000309 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccco2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O18 compound treatment 3647407.407 346000.0 0.38 3733924.686 349000.0 0.36 0.5221 0.9999 1965341 CMLD1_000310 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O19 compound treatment 3051404.04 -250000.0 -0.27 2754703.488 -630000.0 -0.65 -0.6545 -0.9237 1965342 CMLD1_000311 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2cccs2)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O20 compound treatment 3574462.121 273000.0 0.3 3365276.86 -19400.0 -0.02 0.1953 0.6575 1965343 CMLD1_000312 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C=C3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O21 mock treatment 2896968.379 -404000.0 -0.44 3058402.49 -326000.0 -0.34 -0.5497 -0.992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O22 mock treatment 3585914.894 285000.0 0.31 3668750.916 284000.0 0.3 0.4271 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O23 mock treatment 3263375.0 -37900.0 -0.04 3618978.632 234000.0 0.24 0.1432 0.5798 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 O24 mock treatment 2966196.226 -335000.0 -0.36 2830693.603 -554000.0 -0.58 -0.664 -0.9753 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P01 compound treatment 6656062.857 3350000.0 3.64 7235402.817 3850000.0 4.0 5.4023 0.9989 1965344 CMLD1_000313 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P02 compound treatment 6666969.388 3370000.0 3.65 7385810.026 4000000.0 4.16 5.5212 0.9979 1965345 CMLD1_000314 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P03 compound treatment 3331755.187 30500.0 0.03 3261755.556 -123000.0 -0.13 -0.0669 -0.5071 1965346 CMLD1_000315 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6c[nH]c7ccc(O)cc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P04 compound treatment 3703709.434 402000.0 0.44 3547682.008 163000.0 0.17 0.4284 0.9151 1965347 CMLD1_000316 COC(=O)c1ccc(cc1)C23CC3(C2)C(NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P05 compound treatment 3346055.336 44800.0 0.05 3418530.075 33900.0 0.04 0.0593 0.9875 1965348 CMLD1_000317 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(Cl)c(c7)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P06 compound treatment 3401606.838 100000.0 0.11 3472583.012 87900.0 0.09 0.1416 0.9962 1965349 CMLD1_000318 COCC1[C@@H](C)C2=C3C(CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@H]43)N(C2)C(=O)OC(C)(C)C)C1COC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P07 compound treatment 3743418.868 442000.0 0.48 3964609.562 580000.0 0.6 0.7653 0.9936 1965350 CMLD1_000319 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P08 compound treatment 3288145.299 -13100.0 -0.01 3424611.765 40000.0 0.04 0.0193 0.4407 1965351 CMLD1_000320 COC(=O)C1(Cc2ccccc2)NCC3=C(C)C(=O)C(C)C3=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P09 compound treatment 3966740.741 666000.0 0.72 3631760.148 247000.0 0.26 0.6919 0.9033 1965352 CMLD1_000321 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P10 compound treatment 3658907.95 358000.0 0.39 3769249.057 385000.0 0.4 0.5569 0.9999 1965353 CMLD1_000322 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P11 compound treatment 3502415.323 201000.0 0.22 3734508.0 350000.0 0.36 0.4114 0.9701 1965354 CMLD1_000323 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P12 compound treatment 3104913.934 -196000.0 -0.21 3281960.714 -103000.0 -0.11 -0.226 -0.949 1965355 CMLD1_000324 CC[C@@H]1C(CO)C(CO)C2CC[C@H]3C(OC)OC[C@]4(C)[C@H]3C2=C1CN4C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P13 compound treatment 3237368.852 -63900.0 -0.07 3273328.571 -111000.0 -0.12 -0.1308 -0.9699 1965356 CMLD1_000325 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P14 compound treatment 3233221.79 -68000.0 -0.07 3234325.49 -150000.0 -0.16 -0.1626 -0.9413 1965357 CMLD1_000326 COCC1[C@@H](C)C2=C3C(CC[C@H]4C(OCc5ccc(OC)cc5)OC[C@](C)([C@H]43)N(C2)C(=O)OC(C)(C)C)C1COC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P15 compound treatment 3376540.541 75300.0 0.08 3539505.882 155000.0 0.16 0.1716 0.9505 1965358 CMLD1_000327 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCn6cc(nc6C)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P16 compound treatment 2919037.453 -382000.0 -0.41 2996528.777 -388000.0 -0.4 -0.5783 -0.9999 1965359 CMLD1_000328 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)cc7COCOc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P17 compound treatment 1224074.074 -2080000.0 -2.25 1338666.667 -2050000.0 -2.13 -3.0963 -0.9996 1965360 CMLD1_000329 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3C(=C)C(=O)C=C3CN1C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P18 compound treatment 3060121.311 -241000.0 -0.26 3328887.64 -55800.0 -0.06 -0.2258 -0.8434 1965361 CMLD1_000330 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P19 compound treatment 3283617.1 -17600.0 -0.02 3394814.672 10200.0 0.01 -0.006 -0.2761 1965362 CMLD1_000331 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6nc7ccccc7[nH]6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P20 compound treatment 2927177.852 -374000.0 -0.41 3406789.474 22100.0 0.02 -0.2705 -0.6659 1965363 CMLD1_000332 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P21 mock treatment 3050462.366 -251000.0 -0.27 3104014.44 -281000.0 -0.29 -0.3985 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P22 mock treatment 3178733.564 -122000.0 -0.13 2849331.95 -535000.0 -0.56 -0.4874 -0.852 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P23 mock treatment 2916680.0 -385000.0 -0.42 3027035.019 -358000.0 -0.37 -0.5577 -0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1462 P24 mock treatment 2734308.594 -567000.0 -0.61 2708661.922 -676000.0 -0.7 -0.9315 -0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A01 compound treatment 2856915.929 -488000.0 -0.53 2691717.949 -791000.0 -0.82 -0.9554 -0.9773 2065621 ICCB6_000001 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A02 compound treatment 3656730.594 312000.0 0.34 3677405.797 195000.0 0.2 0.3823 0.9701 2065622 ICCB6_000002 OCCCCCCCCCc1ccc(C=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A03 compound treatment 3748782.979 404000.0 0.44 3349874.419 -133000.0 -0.14 0.2121 0.4622 2065623 ICCB6_000003 CC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A04 compound treatment 3905297.619 560000.0 0.61 3434525.424 -47900.0 -0.05 0.3943 0.647 2065624 ICCB6_000004 CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)[C@@H]1OCCCc4ccc(C=O)o4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A05 compound treatment 2836375.566 -509000.0 -0.55 2572932.642 -909000.0 -0.95 -1.0585 -0.9671 2065625 ICCB6_000005 Clc1ccccc1C(CC(=O)c2ccccc2)C(=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A06 compound treatment 3508294.872 163000.0 0.18 3606068.826 124000.0 0.13 0.216 0.9876 2065626 ICCB6_000006 OCCCCCCCCCCc1ccc(C=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A07 compound treatment 3405107.28 60000.0 0.07 3580968.182 98500.0 0.1 0.1185 0.9761 2065627 ICCB6_000007 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A08 compound treatment 3264786.822 -80300.0 -0.09 3617327.273 135000.0 0.14 0.0376 0.2279 2065628 ICCB6_000008 OC[C@H](COCCCc1ccc(C=O)o1)OCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A09 compound treatment 3276452.83 -68600.0 -0.07 3324290.179 -158000.0 -0.16 -0.1688 -0.9357 2065629 ICCB6_000009 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A10 compound treatment 3456346.847 111000.0 0.12 3257794.643 -225000.0 -0.23 -0.0798 -0.3035 2065630 ICCB6_000010 OCCOCCCc1ccc(C=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A11 compound treatment 3231470.833 -114000.0 -0.12 2983791.878 -499000.0 -0.52 -0.4536 -0.8514 2065631 ICCB6_000011 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A12 compound treatment 3906473.451 561000.0 0.61 3484620.408 2190.0 0.0 0.432 0.7097 2065632 ICCB6_000012 OCc1ccc(CCc2ccc(C=O)o2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A13 compound treatment 3438346.939 93300.0 0.1 3577060.748 94600.0 0.1 0.1411 0.9999 2065633 ICCB6_000013 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A14 compound treatment 3866074.89 521000.0 0.56 3576102.881 93700.0 0.1 0.4683 0.8169 2065634 ICCB6_000014 OCCOCCOCCCc1ccc(C=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A15 compound treatment 3327684.615 -17400.0 -0.02 3365610.895 -117000.0 -0.12 -0.0992 -0.8072 ICCB6_000015 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A16 compound treatment 3411289.916 66200.0 0.07 3412114.035 -70300.0 -0.07 -9.0E-4 -0.0088 2065635 ICCB6_000016 OCC1CC2CCN1CC2CCc3ccc(C=O)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A17 compound treatment 3325051.064 -20000.0 -0.02 3383789.256 -98600.0 -0.1 -0.0878 -0.8382 1952805 ICCB6_000017 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A18 compound treatment 3523953.975 179000.0 0.19 3470746.725 -11700.0 -0.01 0.1286 0.6615 2065636 ICCB6_000018 OCCCCNC(=O)OCCCc1ccc(C=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A19 compound treatment 3249705.394 -95400.0 -0.1 3062250.996 -420000.0 -0.44 -0.3819 -0.851 1952839 ICCB6_000019 Oc1ccccc1C#CC#Cc2ccccc2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A20 compound treatment 3453861.925 109000.0 0.12 2885733.051 -597000.0 -0.62 -0.3551 -0.5625 2065637 ICCB6_000020 OCCCCc1ccc(C=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A21 compound treatment 2941282.869 -404000.0 -0.44 3126830.357 -356000.0 -0.37 -0.5709 -0.9965 1952635 ICCB6_000021 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A22 compound treatment 3304875.0 -40200.0 -0.04 2996733.945 -486000.0 -0.5 -0.3878 -0.7653 2065638 ICCB6_000022 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A23 mock treatment 3203917.695 -141000.0 -0.15 3068404.762 -414000.0 -0.43 -0.4125 -0.9032 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 A24 mock treatment 2937852.14 -407000.0 -0.44 2927968.037 -554000.0 -0.58 -0.7197 -0.9913 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B01 compound treatment 3764926.267 420000.0 0.46 3700720.0 218000.0 0.23 0.4823 0.9483 2065621 ICCB6_000023 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B02 compound treatment 4993175.355 1650000.0 1.79 4393222.772 911000.0 0.95 1.933 0.9559 2065639 ICCB6_000024 OB1OC(COCc2ccccc2)CC=C1C(=C)CCCc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B03 compound treatment 4618201.835 1270000.0 1.38 4256834.615 774000.0 0.8 1.5453 0.967 2065640 ICCB6_000025 CC1(C)OC(=O)C=C(CC(O)C2CCCCC2)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B04 compound treatment 4726028.571 1380000.0 1.5 4681095.041 1200000.0 1.25 1.9398 0.9958 2065641 ICCB6_000026 CC(C)C(=C)C1=CCC(COCc2ccccc2)OB1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B05 compound treatment 1245935.065 -2100000.0 -2.28 1339363.636 -2140000.0 -2.23 -3.1845 -0.9999 2065642 ICCB6_000027 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B06 compound treatment 4780760.181 1440000.0 1.56 4468211.009 986000.0 1.02 1.8253 0.9794 2065643 ICCB6_000028 CCCC(=C)C1=CCC(COCc2ccccc2)OB1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B07 compound treatment 4447274.336 1100000.0 1.2 4917546.61 1440000.0 1.49 1.8998 0.994 2065644 ICCB6_000029 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B08 compound treatment 4318532.751 973000.0 1.06 4484691.358 1000000.0 1.04 1.483 1.0 2065645 ICCB6_000030 O[C@@H]([C@H](Oc1ccccc1)C=C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B09 compound treatment 4321418.502 976000.0 1.06 4603350.649 1120000.0 1.17 1.5724 0.9989 2065646 ICCB6_000031 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B10 compound treatment 4556906.25 1210000.0 1.31 4310853.333 828000.0 0.86 1.538 0.979 2065647 ICCB6_000032 O[C@H](COCc1ccccc1)[C@H](Oc2ccccc2)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B11 compound treatment 4425799.043 1080000.0 1.17 4624292.453 1140000.0 1.19 1.6678 1.0 2065648 ICCB6_000033 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B12 compound treatment 4418537.19 1070000.0 1.16 4134555.556 652000.0 0.68 1.3023 0.9669 2065649 ICCB6_000034 CC(C)C(=C)C(=O)CCC(COCc1ccccc1)OC(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B13 compound treatment 3796921.296 452000.0 0.49 4438242.991 956000.0 0.99 1.0489 0.9469 2065650 ICCB6_000035 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B14 compound treatment 2816844.311 -528000.0 -0.57 2777177.778 -705000.0 -0.73 -0.9233 -0.9925 2065651 ICCB6_000036 CCCC(=C=CC[C@@H](OC(=O)Nc1ccc(Br)cc1)c2ccccc2)CCOC(=O)Nc3ccc(Br)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B15 compound treatment 3795540.0 450000.0 0.49 4010400.0 528000.0 0.55 0.7334 0.9983 1952458 ICCB6_000037 Fc1ccc(cc1Br)[C@@H]2C3=C(C[C@@H]4C2=CCn5n4c(=O)n(c6ccccc6)c5=O)C(=O)OC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B16 compound treatment 3343339.901 -1720.0 0.0 3752005.181 270000.0 0.28 0.1968 0.7024 2065652 ICCB6_000038 CC(C)C(=C=CC[C@H](COCc1ccccc1)OC(=O)c2ccc(Br)cc2)CCOC(=O)c3ccc(Br)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B17 compound treatment 3416527.273 71500.0 0.08 3249812.227 -233000.0 -0.24 -0.1162 -0.4576 1952808 ICCB6_000039 CCCCCc1cc2ccccc2o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B18 compound treatment 4169640.909 825000.0 0.89 4037912.5 555000.0 0.58 1.0405 0.9776 2065653 ICCB6_000040 CC1(C)OC[C@@H](C=C)[C@H](CCc2ccccc2)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B19 compound treatment 3483738.739 139000.0 0.15 3269243.346 -213000.0 -0.22 -0.0504 -0.1881 1952842 ICCB6_000041 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B20 compound treatment 3989182.222 644000.0 0.7 3863669.388 381000.0 0.4 0.774 0.964 2065654 ICCB6_000042 CCC[C@@]1(CCO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)O[C@@H](Cc4ccccc4)CC=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B21 compound treatment 3627669.355 283000.0 0.31 3720444.444 238000.0 0.25 0.3916 0.9944 1952636 ICCB6_000043 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B22 compound treatment 3037500.0 -308000.0 -0.33 3275748.538 -207000.0 -0.21 -0.3877 -0.9774 3056822 ICCB6_000044 CC(C)[Si](OC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)c4ccccc4C3=O)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B23 mock treatment 3595596.0 251000.0 0.27 3602827.451 120000.0 0.13 0.2806 0.9381 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 B24 mock treatment 3174954.198 -170000.0 -0.18 3368132.53 -114000.0 -0.12 -0.2144 -0.9774 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C01 compound treatment 3258497.738 -86600.0 -0.09 2747272.34 -735000.0 -0.76 -0.6067 -0.788 2065655 ICCB6_000045 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(C)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C02 compound treatment 3741812.5 397000.0 0.43 3736674.208 254000.0 0.26 0.4911 0.9726 2065656 ICCB6_000046 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C03 compound treatment 3525571.429 181000.0 0.2 3771061.404 289000.0 0.3 0.3505 0.9786 2065657 ICCB6_000047 COC(=O)c1cn2c(c1C(=O)OC)c(=O)n(C)c3ccccc32 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C04 compound treatment 3559486.607 214000.0 0.23 3611269.841 129000.0 0.13 0.2591 0.9657 2065658 ICCB6_000048 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@H](COC2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C05 compound treatment 974625.0 -2370000.0 -2.57 1090180.328 -2390000.0 -2.49 -3.5756 -0.9999 2065659 ICCB6_000049 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3Cl)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C06 compound treatment 3689096.525 344000.0 0.37 3580427.313 98000.0 0.1 0.3358 0.8684 2065660 ICCB6_000050 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C07 compound treatment 3402878.136 57800.0 0.06 3933169.643 451000.0 0.47 0.3756 0.7946 2065661 ICCB6_000051 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)CCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C08 compound treatment 3412448.113 67400.0 0.07 3635875.502 153000.0 0.16 0.1644 0.9374 2065662 ICCB6_000052 CC(C)[C@@H]1N(C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2)C(=O)OC1(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C09 compound treatment 3646504.808 301000.0 0.33 3338415.686 -144000.0 -0.15 0.1253 0.3485 2065663 ICCB6_000053 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C10 compound treatment 3392171.296 47100.0 0.05 3430342.222 -52100.0 -0.05 -0.0022 -0.029 2065664 ICCB6_000054 COC(=O)[C@H](Cc1ccccc1)NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C11 compound treatment 3386616.279 41600.0 0.05 3440018.265 -42400.0 -0.04 7.0E-4 0.011 2065665 ICCB6_000055 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C12 compound treatment 3598600.0 254000.0 0.27 3290138.249 -192000.0 -0.2 0.0531 0.1561 2065666 ICCB6_000056 CCc1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C13 compound treatment 3487770.053 143000.0 0.15 3408438.202 -74000.0 -0.08 0.055 0.3185 1065064 ICCB6_000057 [O-][N+](=O)c1ccc(CBr)c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C14 compound treatment 3396412.017 51400.0 0.06 3270887.5 -212000.0 -0.22 -0.1161 -0.5119 2065667 ICCB6_000058 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C15 compound treatment 3571524.017 226000.0 0.25 3529831.967 47400.0 0.05 0.2085 0.8324 1952482 ICCB6_000059 Fc1ccc(cc1Br)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C16 compound treatment 3245091.633 -100000.0 -0.11 3237641.35 -245000.0 -0.25 -0.2566 -0.9277 2065668 ICCB6_000060 COc1cccc(C)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C17 compound treatment 3456750.0 112000.0 0.12 3173302.083 -309000.0 -0.32 -0.1416 -0.4123 1952809 ICCB6_000061 CC(=O)Oc1ccccc1C#Cc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C18 compound treatment 3647444.954 302000.0 0.33 3647850.242 165000.0 0.17 0.3534 0.9546 2065669 ICCB6_000062 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(C#N)cc2)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C19 compound treatment 3096473.934 -249000.0 -0.27 3403393.365 -79000.0 -0.08 -0.2487 -0.8825 1952773 ICCB6_000063 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C20 compound treatment 3565319.853 220000.0 0.24 3317612.319 -165000.0 -0.17 0.0477 0.1624 2065670 ICCB6_000064 CCOC(=O)CNC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C21 compound treatment 3119577.617 -225000.0 -0.24 3330614.815 -152000.0 -0.16 -0.2845 -0.9776 1952585 ICCB6_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C22 compound treatment 3191135.021 -154000.0 -0.17 3403735.931 -78700.0 -0.08 -0.1759 -0.9461 2065671 ICCB6_000066 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2F)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C23 mock treatment 3372159.091 27100.0 0.03 3472603.636 -9830.0 -0.01 0.0136 0.4357 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 C24 mock treatment 3111470.149 -234000.0 -0.25 2941000.0 -541000.0 -0.56 -0.577 -0.935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D01 compound treatment 3310400.901 -34700.0 -0.04 3121895.197 -361000.0 -0.37 -0.2916 -0.7741 2065672 ICCB6_000067 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D02 compound treatment 4836018.519 1490000.0 1.62 4127926.941 645000.0 0.67 1.6175 0.9241 2065673 ICCB6_000068 CC(C)[Si](OC[C@@H]1CC=C(C)B(O)O1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D03 compound treatment 3608877.551 264000.0 0.29 3780100.529 298000.0 0.31 0.421 0.9992 2065674 ICCB6_000069 CCOC(=O)C1[C@H](CCc2ccccc2)O[C@H](CCc3ccccc3)CC1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D04 compound treatment 4156084.615 811000.0 0.88 4574212.121 1090000.0 1.13 1.4242 0.9921 2065675 ICCB6_000070 CC(C)[Si](OC[C@H]1OB(O)CC=C1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D05 compound treatment 3559881.148 215000.0 0.23 4236528.384 754000.0 0.78 0.7189 0.8792 2065676 ICCB6_000071 C[Si](C)(C(N[Si](=O)(=O)c1ccccc1)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D06 compound treatment 3165904.11 -179000.0 -0.19 3485125.628 2700.0 0.0 -0.1354 -0.6968 2065677 ICCB6_000072 CC(C)[Si](OCC(O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D07 compound treatment 3756595.506 412000.0 0.45 4012464.567 530000.0 0.55 0.7051 0.9945 2065678 ICCB6_000073 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D08 compound treatment 3608849.206 264000.0 0.29 4015170.635 533000.0 0.55 0.5938 0.9528 2065679 ICCB6_000074 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D09 compound treatment 3551151.292 206000.0 0.22 4271216.73 789000.0 0.82 0.7377 0.8682 2065680 ICCB6_000075 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)CCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D10 compound treatment 3674842.52 330000.0 0.36 4358972.222 877000.0 0.91 0.8971 0.9166 2065681 ICCB6_000076 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D11 compound treatment 3065095.618 -280000.0 -0.3 3933831.776 451000.0 0.47 0.1171 0.2096 2065682 ICCB6_000077 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D12 compound treatment 3539652.672 195000.0 0.21 4053962.656 572000.0 0.59 0.5693 0.903 2065683 ICCB6_000078 CC(C)[Si](OCC(O)/C(=C\CO)/C)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D13 compound treatment 3368451.613 23400.0 0.03 4109880.829 627000.0 0.65 0.4791 0.7341 1952278 ICCB6_000079 COC(=O)c1nc(oc1C)C(NC(=O)CCc2cn(CC=C)c3ccccc23)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D14 compound treatment 3396442.029 51400.0 0.06 3924215.686 442000.0 0.46 0.3641 0.7871 2065684 ICCB6_000080 CC(C)[Si](OCC(O)/C=C\CO)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D15 compound treatment 3423650.442 78600.0 0.09 3746339.367 264000.0 0.27 0.2542 0.885 2065685 ICCB6_000081 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D16 compound treatment 3475107.914 130000.0 0.14 4040470.37 558000.0 0.58 0.5099 0.8541 2065686 ICCB6_000082 CC(C)[Si](OC[C@@H](O)[C@@]1(C)OC(C)(C)OC1CO)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D17 compound treatment 3108475.806 -237000.0 -0.26 3086457.627 -396000.0 -0.41 -0.4724 -0.9741 1952811 ICCB6_000083 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D18 compound treatment 3249107.692 -96000.0 -0.1 3542530.534 60100.0 0.06 -0.0294 -0.2422 2065687 ICCB6_000084 CC(C)[Si](OC[C@@H](O)[C@H]1OC(C)(C)OC1CO)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D19 compound treatment 2847077.966 -498000.0 -0.54 3274215.686 -208000.0 -0.22 -0.5348 -0.9194 1952780 ICCB6_000085 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D20 compound treatment 3058691.558 -286000.0 -0.31 3361276.923 -121000.0 -0.13 -0.3086 -0.921 2065688 ICCB6_000086 CC1(C)OC(CO)[C@H](O1)[C@H](O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D21 compound treatment 3274327.731 -70700.0 -0.08 3443210.345 -39200.0 -0.04 -0.0831 -0.9563 1952670 ICCB6_000087 COCCNC(=O)OC[C@H]1CCC[C@@]2(C[C@@H](C[C@@H](CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D22 compound treatment 3090785.467 -254000.0 -0.28 3229781.646 -253000.0 -0.26 -0.3806 -0.9997 2065689 ICCB6_000088 C/C(=C/CO)/[C@H](O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D23 mock treatment 2985741.007 -359000.0 -0.39 3229006.897 -253000.0 -0.26 -0.4617 -0.9818 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 D24 mock treatment 2778993.08 -566000.0 -0.61 3014686.792 -468000.0 -0.49 -0.7778 -0.9933 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E01 compound treatment 3375933.333 30900.0 0.03 3643294.686 161000.0 0.17 0.1419 0.8322 2065690 ICCB6_000089 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)c(Cl)c4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E02 compound treatment 4228514.523 883000.0 0.96 4127061.224 645000.0 0.67 1.1511 0.9847 2065691 ICCB6_000090 COc1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E03 compound treatment 3415707.182 70600.0 0.08 3422861.386 -59600.0 -0.06 0.0104 0.1054 2065692 ICCB6_000091 CCOC(=O)C1[C@@H](O[C@@H](CC1=O)c2ccccc2)C3CCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E04 compound treatment 4640881.295 1300000.0 1.41 4628682.609 1150000.0 1.19 1.836 0.9966 2065693 ICCB6_000092 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](O)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E05 compound treatment 1418421.053 -1930000.0 -2.09 1616500.0 -1870000.0 -1.94 -2.8486 -0.9993 2065694 ICCB6_000093 COc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)[Si](C)(C)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E06 compound treatment 4145316.239 800000.0 0.87 4211226.667 729000.0 0.76 1.1492 0.9977 2065695 ICCB6_000094 CC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E07 compound treatment 3994551.724 649000.0 0.7 4358659.091 876000.0 0.91 1.142 0.9919 2065696 ICCB6_000095 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E08 compound treatment 3808157.895 463000.0 0.5 4193802.372 711000.0 0.74 0.8779 0.9822 2065697 ICCB6_000096 CCOC(=O)c1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E09 compound treatment 3762955.102 418000.0 0.45 3717891.775 235000.0 0.24 0.4935 0.9582 2065698 ICCB6_000097 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E10 compound treatment 3175200.0 -170000.0 -0.18 3598755.102 116000.0 0.12 -0.0447 -0.203 2065699 ICCB6_000098 CCCCOC(=O)c1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E11 compound treatment 3905785.714 561000.0 0.61 4143491.15 661000.0 0.69 0.9158 0.9981 1952474 ICCB6_000099 OCCCCCNC(CCO)Cc1ccc2ccccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E12 compound treatment 4023637.168 679000.0 0.74 3986903.226 504000.0 0.52 0.891 0.9862 2065700 ICCB6_000100 COC(=O)[C@@H](NC(=O)OC/C=C/c1ccc(CCCCCCO)o1)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E13 compound treatment 3660900.826 316000.0 0.34 4071095.477 589000.0 0.61 0.6748 0.9624 1952280 ICCB6_000101 COC(=O)c1nc2oc1CC/C=C/Cn3cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)c4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E14 compound treatment 3318957.447 -26100.0 -0.03 4364184.874 882000.0 0.92 0.6281 0.6849 2065701 ICCB6_000102 COc1cccc(Cl)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E15 compound treatment 3756033.457 411000.0 0.45 3699199.17 217000.0 0.23 0.4744 0.9501 1952487 ICCB6_000103 Fc1ccc(cc1Br)[C@H]2C3=CCn4n(C3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)c(=O)n(c6ccccc6)c4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E16 compound treatment 3563712.446 219000.0 0.24 3973679.389 491000.0 0.51 0.5287 0.9391 2065702 ICCB6_000104 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E17 compound treatment 3844343.348 499000.0 0.54 4098726.087 616000.0 0.64 0.8358 0.9965 1952813 ICCB6_000105 OCCCC#Cc1cc(O)cc(Cl)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E18 compound treatment 3996045.627 651000.0 0.71 3915966.292 434000.0 0.45 0.8177 0.9765 2065703 ICCB6_000106 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](OC(=O)C)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E19 compound treatment 3839542.435 494000.0 0.54 4121415.686 639000.0 0.66 0.8488 0.9944 3107406 ICCB6_000107 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E20 compound treatment 3696440.945 351000.0 0.38 3644865.248 162000.0 0.17 0.3888 0.933 2065704 ICCB6_000108 C[C@@H]([C@H](OC(=O)C)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E21 compound treatment 2037297.189 -1310000.0 -1.42 2283234.568 -1200000.0 -1.25 -1.884 -0.9979 ICCB6_000109 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E22 compound treatment 3655708.185 311000.0 0.34 3922377.953 440000.0 0.46 0.5615 0.9887 2065705 ICCB6_000110 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2cccc(C)c2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E23 mock treatment 3637704.981 293000.0 0.32 3666500.0 184000.0 0.19 0.3597 0.9707 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 E24 mock treatment 3561821.818 217000.0 0.24 3642660.55 160000.0 0.17 0.284 0.9858 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F01 compound treatment 3339533.074 -5530.0 -0.01 3313561.644 -169000.0 -0.18 -0.1284 -0.7308 2065706 ICCB6_000111 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(OC)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F02 compound treatment 1848560.976 -1500000.0 -1.62 2739763.158 -743000.0 -0.77 -1.6932 -0.9423 2065707 ICCB6_000112 CC(C)[Si](OC[C@@H](O)C(C=C)C(O)c1ccccc1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F03 compound treatment 3176043.478 -169000.0 -0.18 3499965.909 17500.0 0.02 -0.1167 -0.6337 1009686 ICCB6_000113 O=C(CC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F04 compound treatment 4585731.915 1240000.0 1.35 4954707.424 1470000.0 1.53 2.0333 0.9979 2065708 ICCB6_000114 OC/C=C\C(O)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F05 compound treatment 3669262.673 324000.0 0.35 3844096.916 362000.0 0.38 0.5144 0.9994 2065709 ICCB6_000115 CCCCCCCCNC(=O)CC[C@H]1O[C@H](O[C@H]2O[C@H](CCC(=O)NCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F06 compound treatment 5014210.117 1670000.0 1.81 4964076.613 1480000.0 1.54 2.3687 0.9968 2065710 ICCB6_000116 CC1=C([C@H](O)C(C)(C)C)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F07 compound treatment 4236550.186 891000.0 0.97 5063081.818 1580000.0 1.64 1.8452 0.968 2065711 ICCB6_000117 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F08 compound treatment 4282318.021 937000.0 1.02 4810053.279 1330000.0 1.38 1.6944 0.9887 2065712 ICCB6_000118 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F09 compound treatment 4391939.516 1050000.0 1.14 4598891.791 1120000.0 1.16 1.6232 0.9999 2065713 ICCB6_000119 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F10 compound treatment 4526083.004 1180000.0 1.28 4725756.522 1240000.0 1.29 1.8193 1.0 2065714 ICCB6_000120 C[C@@H](O)C1=CC[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F11 compound treatment 3723150.794 378000.0 0.41 3894762.264 412000.0 0.43 0.5929 0.9998 1952476 ICCB6_000121 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2c(Br)sc3ccc(Cl)cc23)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F12 compound treatment 4237076.0 892000.0 0.97 4292081.197 810000.0 0.84 1.279 0.9976 2065715 ICCB6_000122 OC[C@@H]1[C@H]2[C@@H](CC=C1CO)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F13 compound treatment 4290418.251 945000.0 1.03 4467209.486 985000.0 1.02 1.4486 1.0 1952282 ICCB6_000123 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F14 compound treatment 4010877.637 666000.0 0.72 4203940.559 722000.0 0.75 1.0408 0.9998 2065716 ICCB6_000124 CC1=C(CO)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F15 compound treatment 3726608.333 382000.0 0.41 3871926.724 389000.0 0.4 0.5788 0.9999 1952488 ICCB6_000125 Fc1ccc(cc1Br)[C@H]2C3=CCC4=C(C3CC5=C2C(=O)C(=CC5=O)I)C(=O)C(=CC4=O)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F16 compound treatment 4254717.391 910000.0 0.99 4303487.085 821000.0 0.85 1.3009 0.9974 2065717 ICCB6_000126 C/C(=C/CO)/C(O)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F17 compound treatment 3844114.187 499000.0 0.54 3962733.577 480000.0 0.5 0.7356 0.9992 1952814 ICCB6_000127 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F18 compound treatment 3988136.986 643000.0 0.7 4144247.312 662000.0 0.69 0.9795 1.0 2065718 ICCB6_000128 CC(C)[Si](OCC1OB(O)CC=C1C)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F19 compound treatment 3706617.117 362000.0 0.39 3922819.495 440000.0 0.46 0.6009 0.997 1952785 ICCB6_000129 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F20 compound treatment 3777857.143 433000.0 0.47 3778966.387 297000.0 0.31 0.5498 0.9792 2065719 ICCB6_000130 OB1CC=C(C(O1)c2ccccc2)C(=C)COCc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F21 compound treatment 3825840.0 481000.0 0.52 3905615.12 423000.0 0.44 0.6796 0.9964 3107360 ICCB6_000131 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F22 compound treatment 3401636.364 56600.0 0.06 3372652.015 -110000.0 -0.11 -0.0373 -0.288 2065720 ICCB6_000132 OC/C=C(\C(O)c1ccccc1)/C(=C)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F23 mock treatment 3587996.255 243000.0 0.26 3854496.212 372000.0 0.39 0.4597 0.9825 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 F24 mock treatment 3517677.741 173000.0 0.19 3588118.774 106000.0 0.11 0.21 0.9678 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G01 compound treatment 4154084.507 809000.0 0.88 3801135.0 319000.0 0.33 0.8545 0.9113 2065721 ICCB6_000133 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4cccs4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G02 compound treatment 4923009.259 1580000.0 1.71 4669618.182 1190000.0 1.23 2.0824 0.9871 3057351 ICCB6_000134 CC(C)C[C@H](CI)C(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G03 compound treatment 3392063.83 47000.0 0.05 3939210.938 457000.0 0.47 0.3718 0.7785 2065722 ICCB6_000135 Clc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)C(=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G04 compound treatment 4449655.462 1100000.0 1.2 4085048.458 603000.0 0.63 1.2898 0.9543 3057353 ICCB6_000136 CC(C)(C)OC[C@@H](O)[C@H]1O[C@H](NO)C2OC(C)(C)OC12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G05 compound treatment 4385163.18 1040000.0 1.13 4473056.277 991000.0 1.03 1.5255 0.999 2065723 ICCB6_000137 CCCCCCCNCC(=O)NC[C@H]1O[C@H](O[C@H]2O[C@H](CNC(=O)CCNCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G06 compound treatment 4100946.36 756000.0 0.82 3842377.358 360000.0 0.37 0.8441 0.9369 2065724 ICCB6_000138 CC(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G07 compound treatment 4232942.623 888000.0 0.96 4505648.649 1020000.0 1.06 1.4328 0.9988 2065725 ICCB6_000139 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G08 compound treatment 4216544.444 871000.0 0.94 4484896.0 1000000.0 1.04 1.4049 0.9988 2065726 ICCB6_000140 CC(C)(C)[Si](C)(C)OCC1=CC(C#C)N(C=C1)C(=O)c2ccccc2Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G09 compound treatment 4044615.044 700000.0 0.76 4131975.904 650000.0 0.68 1.0137 0.9983 2065727 ICCB6_000141 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G10 compound treatment 4669409.266 1320000.0 1.44 4816356.061 1330000.0 1.39 1.9958 0.9998 3057357 ICCB6_000142 OC(=O)c1[se]c2ccccc2c1Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G11 compound treatment 3695779.116 351000.0 0.38 3921781.955 439000.0 0.46 0.5918 0.9959 1952478 ICCB6_000143 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2ccc3ccccc3c2Br)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G12 compound treatment 3793412.214 448000.0 0.49 3690089.041 208000.0 0.22 0.4964 0.9332 3057359 ICCB6_000144 CC(C)(C)[Si](C)(C)OCC1=CC(C=C)N(C=C1)C(=O)c2[se]c3ccccc3c2Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G13 compound treatment 3957360.544 612000.0 0.66 4260307.971 778000.0 0.81 1.0412 0.9952 1952284 ICCB6_000145 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G14 compound treatment 3886776.978 542000.0 0.59 4069359.551 587000.0 0.61 0.8467 0.9998 2065728 ICCB6_000146 CCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)C=CN1C(=O)c2ccccc2Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G15 compound treatment 3472299.296 127000.0 0.14 3656242.754 174000.0 0.18 0.2253 0.9911 2065729 ICCB6_000147 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G16 compound treatment 3469405.983 124000.0 0.13 3667805.43 185000.0 0.19 0.2316 0.9848 2065730 ICCB6_000148 CC(C)(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G17 compound treatment 3657647.436 313000.0 0.34 4191811.321 709000.0 0.74 0.761 0.9378 1952760 ICCB6_000149 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G18 compound treatment 3538479.1 193000.0 0.21 4029175.439 547000.0 0.57 0.5501 0.9082 2065731 ICCB6_000150 CC(=O)N[C@@H](CI)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G19 compound treatment 3457260.0 112000.0 0.12 3909844.203 427000.0 0.44 0.4002 0.8688 1952788 ICCB6_000151 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G20 compound treatment 3508503.521 163000.0 0.18 3986098.814 504000.0 0.52 0.4955 0.8965 2065732 ICCB6_000152 COc1cc2CCN(Cc3ccccc3Br)C(C=C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G21 compound treatment 3523312.081 178000.0 0.19 4125443.223 643000.0 0.67 0.6093 0.8757 1952728 ICCB6_000153 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G22 compound treatment 3595900.0 251000.0 0.27 4000448.905 518000.0 0.54 0.573 0.95 2065733 ICCB6_000154 CN1C(=O)C2C(C1=O)C3(C4C(C5C=C(CCCO[Si](C)(C)C(C)(C)C)CC2N53)C(=O)N(C)C4=O)C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G23 mock treatment 3440842.975 95800.0 0.1 3833468.0 351000.0 0.36 0.3314 0.8737 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 G24 mock treatment 3533320.93 188000.0 0.2 3589854.626 107000.0 0.11 0.2233 0.9597 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H01 compound treatment 4412704.846 1070000.0 1.16 4282809.045 800000.0 0.83 1.4068 0.9869 2065734 ICCB6_000155 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4Cl)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H02 compound treatment 5144718.894 1800000.0 1.95 5343122.172 1860000.0 1.93 2.7473 1.0 2065735 ICCB6_000156 CC(=C)C1=CCB(O)OC1c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H03 compound treatment 4837036.866 1490000.0 1.62 4824383.886 1340000.0 1.39 2.1302 0.9973 2065736 ICCB6_000157 CC(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H04 compound treatment 4666076.577 1320000.0 1.43 5179123.077 1700000.0 1.76 2.2598 0.9947 2065737 ICCB6_000158 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H05 compound treatment 5011014.085 1670000.0 1.81 4388757.576 906000.0 0.94 1.9434 0.9539 2065738 ICCB6_000159 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H06 compound treatment 4993511.945 1650000.0 1.79 4894672.199 1410000.0 1.47 2.3018 0.9952 2065739 ICCB6_000160 CC(=C)/C(=C/CO)/C(O)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H07 compound treatment 4578711.61 1230000.0 1.34 4740169.291 1260000.0 1.31 1.8702 0.9999 2065740 ICCB6_000161 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H08 compound treatment 1284489.362 -2060000.0 -2.23 1357222.222 -2130000.0 -2.21 -3.1418 -1.0 2065741 ICCB6_000162 CC1=NC(C)(C)[C@@H]2CCC(=C)C1C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H09 compound treatment 4405151.786 1060000.0 1.15 4528942.308 1050000.0 1.09 1.5819 0.9996 2065742 ICCB6_000163 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H10 compound treatment 4694539.171 1350000.0 1.46 4888957.082 1410000.0 1.46 2.0684 1.0 2065743 ICCB6_000164 C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H11 compound treatment 4198463.768 853000.0 0.93 4286045.455 804000.0 0.84 1.2449 0.9987 1952534 ICCB6_000165 C[C@H](N)C(Oc1ccccc1Br)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H12 compound treatment 4099415.385 754000.0 0.82 4594138.06 1110000.0 1.16 1.3954 0.9857 2065744 ICCB6_000166 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H13 compound treatment 3876140.078 531000.0 0.58 3863168.95 381000.0 0.4 0.687 0.9833 1952286 ICCB6_000167 COC(=O)c1nc(oc1CCC=C)C(NC(=O)[C@H](Cc2cn(CC=C)cn2)NC(=O)OCc3ccccc3)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H14 compound treatment 4106931.9 762000.0 0.83 4421370.968 939000.0 0.98 1.2742 0.9966 2065745 ICCB6_000168 CC(C)C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H15 compound treatment 3379672.489 34600.0 0.04 3802011.407 320000.0 0.33 0.2614 0.782 1952677 ICCB6_000169 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H16 compound treatment 3883123.636 538000.0 0.58 4085871.186 603000.0 0.63 0.856 0.9993 2065746 ICCB6_000170 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H17 compound treatment 3943353.612 598000.0 0.65 3676402.556 194000.0 0.2 0.6013 0.8851 1952821 ICCB6_000171 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H18 compound treatment 4066992.337 722000.0 0.78 4080419.014 598000.0 0.62 0.993 0.9935 2065747 ICCB6_000172 COc1cc(C[C@H]2NC(C)(C)C3CCC(=C)[C@H]2C3)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H19 compound treatment 4069339.869 724000.0 0.79 4196492.537 714000.0 0.74 1.0801 0.9996 1952600 ICCB6_000173 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H20 compound treatment 4368708.955 1020000.0 1.11 4547411.067 1060000.0 1.11 1.5676 1.0 2065748 ICCB6_000174 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2C)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H21 compound treatment 4043579.151 699000.0 0.76 3528392.283 46000.0 0.05 0.5693 0.7502 1952730 ICCB6_000175 O=c1cc(Cc2ccccc2)c3ccccc3o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H22 compound treatment 1226629.63 -2120000.0 -2.3 1420862.069 -2060000.0 -2.14 -3.1394 -0.9994 2065749 ICCB6_000176 CC1(C)N=C(/C=C/2\C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H23 mock treatment 3749559.055 405000.0 0.44 4063145.161 581000.0 0.6 0.7369 0.9877 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 H24 mock treatment 3663981.132 319000.0 0.35 3713385.496 231000.0 0.24 0.4143 0.9841 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I01 compound treatment 3873142.857 528000.0 0.57 3865935.484 384000.0 0.4 0.6867 0.9843 2065750 ICCB6_000177 COC(=O)[C@@H]1[C@H](N([C@H](c2ccccc2)[C@@]13C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I02 compound treatment 3830380.952 485000.0 0.53 3732902.326 250000.0 0.26 0.5562 0.9473 2065751 ICCB6_000178 CC(C)(C)[Si](C)(C)OCCCC1=CC2C3C(C(=O)N(Cc4ccccc4)C3=O)C5(C6C(C(C1)N25)C(=O)N(Cc7ccccc7)C6=O)C(=O)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I03 compound treatment 4089121.094 744000.0 0.81 4152625.0 670000.0 0.7 1.063 0.9973 2065752 ICCB6_000179 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Cl)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I04 compound treatment 3591767.347 247000.0 0.27 4092561.702 610000.0 0.63 0.6376 0.9263 2065753 ICCB6_000180 COc1cc(CN[C@@H](C)[C@H](Oc2ccccc2Br)c3ccccc3)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I05 compound treatment 4800813.953 1460000.0 1.58 4867484.375 1390000.0 1.44 2.1341 0.9989 2065754 ICCB6_000181 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I06 compound treatment 4519455.752 1170000.0 1.27 4630252.294 1150000.0 1.19 1.744 0.9995 2065755 ICCB6_000182 COc1cc(CN[C@H]([C@H](O)c2ccccc2)c3ccccc3)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I07 compound treatment 3981185.714 636000.0 0.69 4276113.445 794000.0 0.82 1.0711 0.996 2065756 ICCB6_000183 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I08 compound treatment 3214854.902 -130000.0 -0.14 3584518.657 102000.0 0.11 -0.0248 -0.1404 2065757 ICCB6_000184 COc1cc(CN(Cc2ccccc2Br)[C@H]([C@H](O)c3ccccc3)c4ccccc4)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I09 compound treatment 3765677.419 421000.0 0.46 3918727.273 436000.0 0.45 0.6432 1.0 2065758 ICCB6_000185 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I10 compound treatment 3736142.292 391000.0 0.42 4129893.939 647000.0 0.67 0.7757 0.9752 2065759 ICCB6_000186 COc1cc(CN(Cc2ccccc2Br)[C@H](C)C(Oc3ccccc3Br)c4ccccc4)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I11 compound treatment 3361922.747 16900.0 0.02 3567641.35 85200.0 0.09 0.0756 0.8355 1952544 ICCB6_000187 O=C1Nc2ccccc2[C@@]31[C@@H](C#N)C4N([C@H]3c5ccccc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I12 compound treatment 3398422.764 53400.0 0.06 3956413.934 474000.0 0.49 0.3893 0.7848 2065760 ICCB6_000188 COc1cc(CN(Cc2ccccc2Br)[C@H](C(Oc3ccccc3Br)c4ccccc4)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I13 compound treatment 4463390.244 1120000.0 1.21 3923950.382 442000.0 0.46 1.1819 0.9116 1952288 ICCB6_000189 COC(=O)c1nc2oc1CC/C=C/Cn3cnc(C[C@H](NC(=O)OCc4ccccc4)C(=O)NC2C(C)C)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I14 compound treatment 3228148.41 -117000.0 -0.13 3498537.594 16100.0 0.02 -0.0778 -0.6084 2065761 ICCB6_000190 C[C@@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I15 compound treatment 3533605.351 189000.0 0.2 3554354.244 71900.0 0.07 0.1974 0.9069 1952679 ICCB6_000191 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I16 compound treatment 3976260.45 631000.0 0.68 3957321.918 475000.0 0.49 0.833 0.9871 2065762 ICCB6_000192 C[C@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I17 compound treatment 2787671.053 -557000.0 -0.6 3266194.719 -216000.0 -0.22 -0.5863 -0.9092 1952823 ICCB6_000193 C#Cc1ccccc1Oc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I18 compound treatment 2954315.625 -391000.0 -0.42 3962769.231 480000.0 0.5 0.0535 0.0816 2065763 ICCB6_000194 C[C@H](C(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I19 compound treatment 3558429.63 213000.0 0.23 4048350.365 566000.0 0.59 0.5795 0.9169 1952601 ICCB6_000195 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I20 compound treatment 3239704.626 -105000.0 -0.11 3364385.714 -118000.0 -0.12 -0.1675 -0.9994 2065764 ICCB6_000196 C[C@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I21 compound treatment 3167793.97 -177000.0 -0.19 3569227.848 86800.0 0.09 -0.0721 -0.3396 1952746 ICCB6_000197 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I22 compound treatment 3431859.574 86800.0 0.09 4016430.233 534000.0 0.56 0.459 0.8154 2065765 ICCB6_000198 C[C@@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I23 mock treatment 4254283.465 909000.0 0.99 4100713.178 618000.0 0.64 1.1515 0.9785 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 I24 mock treatment 3309318.182 -35700.0 -0.04 3557645.161 75200.0 0.08 0.0279 0.3195 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J01 compound treatment 2668018.692 -677000.0 -0.73 3346586.957 -136000.0 -0.14 -0.6189 -0.8279 2065766 ICCB6_000199 COC(=O)C1=CN([C@H](c2ccccc2)[C@]31C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J02 compound treatment 5468940.909 2120000.0 2.3 4480827.103 998000.0 1.04 2.3622 0.9352 2065767 ICCB6_000200 CC1(C)N[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J03 compound treatment 4841942.029 1500000.0 1.62 4880948.276 1400000.0 1.45 2.1755 0.9985 2065768 ICCB6_000201 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Br)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J04 compound treatment 4881264.84 1540000.0 1.67 4889267.327 1410000.0 1.46 2.2118 0.9979 2065769 ICCB6_000202 CN1[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J05 compound treatment 4664238.318 1320000.0 1.43 5007339.713 1520000.0 1.59 2.1322 0.9987 2065770 ICCB6_000203 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J06 compound treatment 2383734.756 -961000.0 -1.04 2661915.825 -821000.0 -0.85 -1.3401 -0.995 2065771 ICCB6_000204 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J07 compound treatment 4303624.413 959000.0 1.04 4663316.514 1180000.0 1.23 1.6028 0.9966 2065772 ICCB6_000205 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J08 compound treatment 3111412.214 -234000.0 -0.25 3492185.022 9750.0 0.01 -0.172 -0.6783 2065773 ICCB6_000206 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J09 compound treatment 4033184.549 688000.0 0.75 4109245.353 627000.0 0.65 0.9883 0.9977 2065774 ICCB6_000207 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J10 compound treatment 3194115.385 -151000.0 -0.16 2700873.134 -782000.0 -0.81 -0.6902 -0.8328 2065775 ICCB6_000208 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J11 compound treatment 3329689.796 -15400.0 -0.02 3948396.226 466000.0 0.48 0.3307 0.6824 2065776 ICCB6_000209 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J12 compound treatment 3599463.83 254000.0 0.28 3560678.414 78200.0 0.08 0.2526 0.8782 2065777 ICCB6_000210 OCCOc1cccc(c1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J13 compound treatment 4372180.556 1030000.0 1.11 4711318.182 1230000.0 1.28 1.6907 0.9977 1952295 ICCB6_000211 COC(=O)c1nc(oc1CC(=O)CCl)C(NC(=O)NC(=O)OC(C)(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J14 compound treatment 3313530.435 -31500.0 -0.03 3304401.869 -178000.0 -0.19 -0.155 -0.8238 2065778 ICCB6_000212 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J15 compound treatment 4176026.022 831000.0 0.9 4047575.758 565000.0 0.59 1.0525 0.9785 1952690 ICCB6_000213 COC(=O)CC(C(=O)OC)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J16 compound treatment 3817438.849 472000.0 0.51 4229465.863 747000.0 0.78 0.9112 0.9796 2065779 ICCB6_000214 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC(C(=O)OC)C(=O)OC)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J17 compound treatment 2899759.868 -445000.0 -0.48 3205481.481 -277000.0 -0.29 -0.545 -0.9695 1952825 ICCB6_000215 CCCC(C)(O)C#Cc1cc(cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1OC(=O)C)c2cc(F)cc(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J18 compound treatment 3447053.333 102000.0 0.11 4078433.862 596000.0 0.62 0.5162 0.8204 2065780 ICCB6_000216 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J19 compound treatment 4016088.608 671000.0 0.73 3878817.164 396000.0 0.41 0.8058 0.9637 1952605 ICCB6_000217 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J20 compound treatment 3698303.249 353000.0 0.38 4437100.0 955000.0 0.99 0.9725 0.9143 2065781 ICCB6_000218 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J21 compound treatment 3345752.542 694.0 0.0 3643206.557 161000.0 0.17 0.1187 0.7103 3005760 ICCB6_000219 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J22 compound treatment 3441091.228 96000.0 0.1 4045287.938 563000.0 0.59 0.4873 0.8201 2065782 ICCB6_000220 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCNC(=O)N)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J23 mock treatment 3377910.853 32900.0 0.04 3966138.06 484000.0 0.5 0.3807 0.7553 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 J24 mock treatment 3159386.555 -186000.0 -0.2 3579899.254 97500.0 0.1 -0.0707 -0.3138 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K01 compound treatment 3770979.592 426000.0 0.46 3693936.975 212000.0 0.22 0.482 0.9424 2065783 ICCB6_000221 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C)c5ccccc52 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K02 compound treatment 4383768.519 1040000.0 1.13 3900350.23 418000.0 0.43 1.1035 0.9142 2065784 ICCB6_000222 CC(Oc1ccccc1Br)[C@H](N(C)C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K03 compound treatment 4037805.31 693000.0 0.75 3713512.5 231000.0 0.24 0.701 0.8889 2065785 ICCB6_000223 COC(=O)C(C(c1ccc(OC)cc1)[Si](C)(C)c2ccccc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K04 compound treatment 4323348.739 978000.0 1.06 4074188.596 592000.0 0.62 1.185 0.9664 2065786 ICCB6_000224 C[C@H](C(Oc1ccccc1[N+](=O)[O-])c2ccccc2)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K05 compound treatment 4966095.42 1620000.0 1.76 4664075.812 1180000.0 1.23 2.1113 0.9846 2065787 ICCB6_000225 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K06 compound treatment 4057925.311 713000.0 0.77 4061483.471 579000.0 0.6 0.9721 0.9923 2065788 ICCB6_000226 COc1cc(/C=C/C=O)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K07 compound treatment 4604643.725 1260000.0 1.37 4384277.992 902000.0 0.94 1.6286 0.9831 2065789 ICCB6_000227 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)CCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K08 compound treatment 2577135.135 -768000.0 -0.83 1521926.829 -1960000.0 -2.04 -2.0297 -0.922 2065790 ICCB6_000228 COc1cc(/C=C/CN[C@H](C)[C@@H](O)c2ccccc2)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K09 compound treatment 4258508.772 913000.0 0.99 4263043.478 781000.0 0.81 1.2741 0.9951 2065791 ICCB6_000229 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K10 compound treatment 4541788.679 1200000.0 1.3 4007979.933 526000.0 0.55 1.3038 0.9261 2065792 ICCB6_000230 CC(C)[Si](OCC1CCC=CC1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K11 compound treatment 3660562.5 316000.0 0.34 3418336.323 -64100.0 -0.07 0.1948 0.5589 1034979 ICCB6_000231 c1c(cn2ccccc12)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K12 compound treatment 4313591.912 969000.0 1.05 4204979.239 723000.0 0.75 1.2736 0.9865 2065793 ICCB6_000232 CC1(C)COC(=O)C1OC(=O)C2CC3CCC2C=C3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K13 compound treatment 3980712.551 636000.0 0.69 3828301.724 346000.0 0.36 0.7416 0.954 1952379 ICCB6_000233 CC(C)[Si](OCc1ccc(C=O)o1)(C(C)C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K14 compound treatment 4383099.291 1040000.0 1.13 4303631.148 821000.0 0.85 1.3994 0.9907 2065794 ICCB6_000234 OCC1CC2CCC1C=C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K15 compound treatment 4062906.504 718000.0 0.78 3850966.887 369000.0 0.38 0.8212 0.9467 1952707 ICCB6_000235 CCCCSc1cc(=O)oc2cc(OC)ccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K16 compound treatment 1150450.98 -2190000.0 -2.38 1177711.538 -2300000.0 -2.4 -3.3765 -1.0 2065795 ICCB6_000236 Ic1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K17 compound treatment 2638576.923 -706000.0 -0.77 2492641.509 -990000.0 -1.03 -1.2691 -0.9895 1952828 ICCB6_000237 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K18 compound treatment 3969067.797 624000.0 0.68 3652332.075 170000.0 0.18 0.6033 0.8628 2065796 ICCB6_000238 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3cccnc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K19 compound treatment 4124071.713 779000.0 0.84 4056366.667 574000.0 0.6 1.0191 0.9855 1952608 ICCB6_000239 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K20 compound treatment 3959116.592 614000.0 0.67 3626325.893 144000.0 0.15 0.5766 0.8449 2065797 ICCB6_000240 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3ccco3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K21 compound treatment 3547545.151 202000.0 0.22 3799937.063 318000.0 0.33 0.3886 0.9804 3005761 ICCB6_000241 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K22 compound treatment 3272928.571 -72100.0 -0.08 4217371.429 735000.0 0.76 0.4849 0.6314 2065798 ICCB6_000242 Ic1ccc2NC(=O)/C(=C/C#N)/c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K23 mock treatment 3754283.088 409000.0 0.44 4141154.982 659000.0 0.68 0.7979 0.9779 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 K24 mock treatment 3533630.705 189000.0 0.2 3626660.793 144000.0 0.15 0.2506 0.9884 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L01 compound treatment 3796800.0 452000.0 0.49 3781480.469 299000.0 0.31 0.5661 0.9759 2065799 ICCB6_000243 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccccc52 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L02 compound treatment 5150596.244 1810000.0 1.96 5188702.586 1710000.0 1.77 2.6384 0.9988 2065800 ICCB6_000244 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#Cc6ccccc6F)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L03 compound treatment 5049494.465 1700000.0 1.85 4875358.871 1390000.0 1.45 2.3305 0.9927 2065801 ICCB6_000245 COC(=O)C(C(c1ccco1)[Si](C)(C)c2ccccc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L04 compound treatment 3857491.639 512000.0 0.56 4396800.781 914000.0 0.95 1.0649 0.9673 2065802 ICCB6_000246 CCCCC[C@H](O)C#Cc1ccc2NC(=O)[C@@]3([C@H](C4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N(C)OC)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L05 compound treatment 4844816.547 1500000.0 1.63 4807062.5 1320000.0 1.38 2.1234 0.9966 2065803 ICCB6_000247 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L06 compound treatment 4568203.463 1220000.0 1.33 4418291.892 936000.0 0.97 1.6256 0.9884 2065804 ICCB6_000248 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)[C@H](C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L07 compound treatment 4680504.274 1340000.0 1.45 4393264.591 911000.0 0.95 1.6933 0.9788 2065805 ICCB6_000249 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L08 compound treatment 4388102.326 1040000.0 1.13 4363068.085 881000.0 0.92 1.4469 0.9945 2065806 ICCB6_000250 OCCOc1ccc(cc1)C2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L09 compound treatment 4683713.693 1340000.0 1.45 4719707.113 1240000.0 1.29 1.9357 0.9982 2065807 ICCB6_000251 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L10 compound treatment 4386801.724 1040000.0 1.13 4477197.248 995000.0 1.03 1.5298 0.999 2065808 ICCB6_000252 CON(C)C(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(I)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L11 compound treatment 4682409.836 1340000.0 1.45 4787088.123 1300000.0 1.36 1.9842 0.9994 2065809 ICCB6_000253 COC(=O)Cc1cn[nH]c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L12 compound treatment 2904143.836 -441000.0 -0.48 3946605.15 464000.0 0.48 0.0031 0.0046 2065810 ICCB6_000254 CCOC(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(Br)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L13 compound treatment 3606092.527 261000.0 0.28 3994890.625 512000.0 0.53 0.5768 0.9562 1952411 ICCB6_000255 CC(C)[Si](OCc1ccc(o1)[C@@H](O)[C@H](C)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3)(C(C)C)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L14 compound treatment 3509710.037 165000.0 0.18 3924407.407 442000.0 0.46 0.4511 0.9152 2065811 ICCB6_000256 OCCOc1ccc(cc1)C2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L15 compound treatment 3530307.692 185000.0 0.2 3520290.749 37900.0 0.04 0.1699 0.8299 1952793 ICCB6_000257 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L16 compound treatment 4426374.384 1080000.0 1.17 4089825.243 607000.0 0.63 1.2755 0.9578 2065812 ICCB6_000258 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L17 compound treatment 4206361.702 861000.0 0.93 4570626.459 1090000.0 1.13 1.4602 0.9955 1952829 ICCB6_000259 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L18 compound treatment 4008021.645 663000.0 0.72 3989142.202 507000.0 0.53 0.8807 0.9883 2065813 ICCB6_000260 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L19 compound treatment 4162733.788 818000.0 0.89 4190212.418 708000.0 0.74 1.1471 0.9957 1952582 ICCB6_000261 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCOC)O3)O2)OC(=O)NCc4cccc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L20 compound treatment 3876612.583 532000.0 0.58 4284320.611 802000.0 0.83 0.9969 0.9838 2065814 ICCB6_000262 CON(C)C(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(Br)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L21 compound treatment 3825596.091 481000.0 0.52 3943125.0 461000.0 0.48 0.707 0.9991 1952748 ICCB6_000263 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L22 compound treatment 4004535.545 659000.0 0.72 4309573.529 827000.0 0.86 1.1135 0.9958 2065815 ICCB6_000264 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L23 mock treatment 3541358.696 196000.0 0.21 3866436.567 384000.0 0.4 0.4327 0.9567 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 L24 mock treatment 3322740.214 -22300.0 -0.02 3324124.481 -158000.0 -0.16 -0.1335 -0.8025 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M01 compound treatment 2387019.92 -958000.0 -1.04 2344795.082 -1140000.0 -1.18 -1.5707 -0.9979 2065816 ICCB6_000265 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccc(Cl)cc52 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M02 compound treatment 2546725.191 -798000.0 -0.87 2884422.727 -598000.0 -0.62 -1.0516 -0.9868 2065817 ICCB6_000266 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M03 compound treatment 3570253.061 225000.0 0.24 3393995.37 -88400.0 -0.09 0.1077 0.4126 2065818 ICCB6_000267 COc1ccc(cc1)C(CC(=O)c2ccccc2)[Si](C)(C)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M04 compound treatment 3692081.712 347000.0 0.38 3882032.653 400000.0 0.42 0.5598 0.9988 2065819 ICCB6_000268 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M05 compound treatment 4069268.0 724000.0 0.79 3861793.388 379000.0 0.39 0.8341 0.9492 2065820 ICCB6_000269 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M06 compound treatment 3529508.929 184000.0 0.2 3489311.927 6880.0 0.01 0.1465 0.7319 2065821 ICCB6_000270 COC(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M07 compound treatment 3944304.511 599000.0 0.65 3759591.27 277000.0 0.29 0.6631 0.933 2065822 ICCB6_000271 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M08 compound treatment 3619611.814 275000.0 0.3 3432976.285 -49500.0 -0.05 0.1742 0.5765 2065823 ICCB6_000272 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCC4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M09 compound treatment 3650585.714 306000.0 0.33 3862528.986 380000.0 0.4 0.5136 0.9962 2065824 ICCB6_000273 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M10 compound treatment 3769885.572 425000.0 0.46 3757444.444 275000.0 0.29 0.5278 0.9737 2065825 ICCB6_000274 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCc4ccccc4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M11 compound treatment 3757027.027 412000.0 0.45 3806893.836 324000.0 0.34 0.5543 0.9904 2065826 ICCB6_000275 CC(C(=O)O)c1ccccc1C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M12 compound treatment 3934615.063 590000.0 0.64 3570150.0 87700.0 0.09 0.5165 0.7999 2065827 ICCB6_000276 OCCNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(I)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M13 compound treatment 3321672.131 -23400.0 -0.03 3586448.819 104000.0 0.11 0.0585 0.527 1952416 ICCB6_000277 Clc1c(Cl)c(Cl)c(OCc2ccccc2)c(Cl)c1Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M14 compound treatment 3281714.286 -63300.0 -0.07 3713622.449 231000.0 0.24 0.1214 0.4856 2065828 ICCB6_000278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M15 compound treatment 3367956.386 22900.0 0.02 3394595.238 -87800.0 -0.09 -0.047 -0.4968 1952795 ICCB6_000279 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M16 compound treatment 3622584.821 278000.0 0.3 3752135.678 270000.0 0.28 0.411 0.9994 2065829 ICCB6_000280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)C(C(OC3=O)c5ccccc5)c6ccccc6)C(=O)N(C)OC)c7cc(C#CC8(O)CCCCCC8)ccc17 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M17 compound treatment 2982292.857 -363000.0 -0.39 3095133.333 -387000.0 -0.4 -0.5628 -0.9999 1952832 ICCB6_000281 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M18 compound treatment 3643003.846 298000.0 0.32 3323636.364 -159000.0 -0.17 0.1117 0.308 3176523 ICCB6_000282 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCC(C)C)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M19 compound treatment 3136738.182 -208000.0 -0.23 3291370.13 -191000.0 -0.2 -0.3001 -0.9979 1952627 ICCB6_000283 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M20 compound treatment 3909034.483 564000.0 0.61 4219799.065 737000.0 0.77 0.9743 0.9937 3056713 ICCB6_000284 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@@H](C(C)C)C(=O)OC)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M21 compound treatment 3175163.522 -170000.0 -0.18 3520896.296 38500.0 0.04 -0.102 -0.541 1107217 ICCB6_000285 Cc1cccnc1I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M22 compound treatment 3446145.299 101000.0 0.11 3352052.817 -130000.0 -0.14 -0.0183 -0.1051 3176524 ICCB6_000286 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@H](C)c5ccccc5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M23 mock treatment 3226189.394 -119000.0 -0.13 3263608.527 -219000.0 -0.23 -0.252 -0.9638 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 M24 mock treatment 2907947.566 -437000.0 -0.47 3148607.547 -334000.0 -0.35 -0.5805 -0.9883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N01 compound treatment 3211090.129 -134000.0 -0.15 3518680.451 36300.0 0.04 -0.0761 -0.5069 2065830 ICCB6_000287 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccc(Cl)cc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N02 compound treatment 4200301.435 855000.0 0.93 3664411.523 182000.0 0.19 0.7895 0.8342 2065831 ICCB6_000288 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N03 compound treatment 4727008.333 1380000.0 1.5 4418291.304 936000.0 0.97 1.7474 0.9781 2065832 ICCB6_000289 C[Si](C)(F)C(CC(=O)c1ccccc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N04 compound treatment 4590867.299 1250000.0 1.35 4703431.472 1220000.0 1.27 1.8526 0.9995 2065833 ICCB6_000290 CCCCOc1ccc(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(C)OC)c3c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N05 compound treatment 4436579.545 1090000.0 1.18 4457293.86 975000.0 1.01 1.5534 0.997 2065834 ICCB6_000291 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N06 compound treatment 1598176.471 -1750000.0 -1.89 3348168.539 -134000.0 -0.14 -1.438 -0.7572 2065835 ICCB6_000292 CC1(C)N[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC1CCC4=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N07 compound treatment 4426807.692 1080000.0 1.17 4481822.394 999000.0 1.04 1.5639 0.9982 2065836 ICCB6_000293 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N08 compound treatment 1432760.87 -1910000.0 -2.07 1485282.609 -2000000.0 -2.08 -2.934 -1.0 2065837 ICCB6_000294 CN1[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N09 compound treatment 4743380.488 1400000.0 1.52 4495864.198 1010000.0 1.05 1.8169 0.9842 2065838 ICCB6_000295 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N10 compound treatment 4526004.049 1180000.0 1.28 4890672.0 1410000.0 1.46 1.9404 0.9978 2065839 ICCB6_000296 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CC3CCC2(C)C3(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N11 compound treatment 3953985.348 609000.0 0.66 3969396.226 487000.0 0.51 0.8248 0.9914 2065840 ICCB6_000297 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N12 compound treatment 1426657.143 -1920000.0 -2.08 1372688.525 -2110000.0 -2.19 -3.0214 -0.9997 2065841 ICCB6_000298 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N13 compound treatment 3828864.769 484000.0 0.52 3768957.529 287000.0 0.3 0.5815 0.964 1952445 ICCB6_000299 Clc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(CNC(=O)OCc5ccccc5)cc4)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N14 compound treatment 4543547.445 1200000.0 1.3 3834227.106 352000.0 0.37 1.1774 0.8722 2065842 ICCB6_000300 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N15 compound treatment 3826706.383 482000.0 0.52 3897276.224 415000.0 0.43 0.6742 0.9955 1952801 ICCB6_000301 Oc1ccccc1C#Cc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N16 compound treatment 2999965.517 -345000.0 -0.37 2977856.287 -505000.0 -0.52 -0.6354 -0.9863 2065843 ICCB6_000302 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N17 compound treatment 4889726.027 1540000.0 1.67 4260063.291 778000.0 0.81 1.7558 0.9442 1952836 ICCB6_000303 CC(=O)c1ccc2oc(cc2c1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N18 compound treatment 4166715.328 822000.0 0.89 3846121.951 364000.0 0.38 0.8973 0.9271 2065844 ICCB6_000304 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N19 compound treatment 3576390.335 231000.0 0.25 3611972.441 130000.0 0.13 0.2726 0.9575 1952631 ICCB6_000305 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N20 compound treatment 3865678.862 521000.0 0.56 4180062.937 698000.0 0.73 0.9119 0.9923 2065845 ICCB6_000306 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N21 compound treatment 3384272.727 39200.0 0.04 3525755.319 43300.0 0.05 0.0619 0.9996 3005761 ICCB6_000307 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N22 compound treatment 3139663.462 -205000.0 -0.22 3558910.959 76500.0 0.08 -0.1013 -0.4282 2065846 ICCB6_000308 CN(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)Cc8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N23 mock treatment 3204047.97 -141000.0 -0.15 3477037.175 -5390.0 -0.01 -0.1121 -0.7325 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 N24 mock treatment 2849392.982 -496000.0 -0.54 3068015.81 -414000.0 -0.43 -0.6846 -0.994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O01 compound treatment 2909133.588 -436000.0 -0.47 2783553.785 -699000.0 -0.73 -0.8479 -0.9783 2065847 ICCB6_000309 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3cccc(F)c3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O02 compound treatment 3123822.464 -221000.0 -0.24 2900820.339 -582000.0 -0.6 -0.5971 -0.9181 3176588 ICCB6_000310 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)NCc5ccc(Cl)c(Cl)c5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O03 compound treatment 3684757.353 340000.0 0.37 3426612.335 -55800.0 -0.06 0.2194 0.5885 2065848 ICCB6_000311 Cc1ccc(cc1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O04 compound treatment 3262935.743 -82100.0 -0.09 3473476.19 -8950.0 -0.01 -0.0695 -0.7768 3176589 ICCB6_000312 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O05 compound treatment 4219198.582 874000.0 0.95 3860245.136 378000.0 0.39 0.9479 0.9239 2065849 ICCB6_000313 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)CCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O06 compound treatment 1560555.556 -1780000.0 -1.93 2681088.608 -801000.0 -0.83 -1.9571 -0.9291 2065850 ICCB6_000314 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(Br)cc4)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O07 compound treatment 3703162.791 358000.0 0.39 3520781.609 38400.0 0.04 0.3027 0.7756 2065851 ICCB6_000315 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O08 compound treatment 3252666.667 -92400.0 -0.1 3441781.065 -40600.0 -0.04 -0.1007 -0.9263 2065852 ICCB6_000316 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(cc4)[N+](=O)[O-])cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O09 compound treatment 4088617.284 744000.0 0.81 4377057.143 895000.0 0.93 1.2276 0.9975 2065853 ICCB6_000317 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O10 compound treatment 4110003.937 765000.0 0.83 3911266.932 429000.0 0.45 0.9017 0.9576 2065854 ICCB6_000318 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O11 compound treatment 4072875.887 728000.0 0.79 3934505.415 452000.0 0.47 0.8903 0.9693 2065855 ICCB6_000319 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O12 compound treatment 3504275.229 159000.0 0.17 3421804.428 -60600.0 -0.06 0.0775 0.4218 2065856 ICCB6_000320 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O13 compound treatment 4120596.774 776000.0 0.84 3866823.333 384000.0 0.4 0.8771 0.9421 1952450 ICCB6_000321 CCOC(=O)C(O)C(O)c1ccc(CO[Si](C(C)C)(C(C)C)c2ccccc2)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O14 compound treatment 3778551.546 433000.0 0.47 3720104.167 238000.0 0.25 0.507 0.9549 2065857 ICCB6_000322 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O15 compound treatment 3416004.184 70900.0 0.08 3351165.179 -131000.0 -0.14 -0.0421 -0.2687 1952761 ICCB6_000323 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O16 compound treatment 3508515.284 163000.0 0.18 3225230.415 -257000.0 -0.27 -0.0637 -0.1986 2065858 ICCB6_000324 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O17 compound treatment 2915742.647 -429000.0 -0.47 2866932.075 -615000.0 -0.64 -0.7815 -0.9878 1952837 ICCB6_000325 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O18 compound treatment 3544103.004 199000.0 0.22 3719475.806 237000.0 0.25 0.3268 0.9978 2065859 ICCB6_000326 CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](OC(=O)/C=C/C=C/C)[C@H]1OC(=O)/C=C/C=C/C)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O19 compound treatment 3930455.479 585000.0 0.63 3662326.667 180000.0 0.19 0.581 0.8781 1952633 ICCB6_000327 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O20 compound treatment 3898841.509 554000.0 0.6 3715135.889 233000.0 0.24 0.5956 0.9201 2065860 ICCB6_000328 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(c2ccccc2)(c3ccccc3)c4ccccc4)O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O21 compound treatment 3332635.484 -12400.0 -0.01 3802348.387 320000.0 0.33 0.2256 0.6779 1952755 ICCB6_000329 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O22 compound treatment 3465742.647 121000.0 0.13 3393408.759 -89000.0 -0.09 0.0271 0.1691 2065861 ICCB6_000330 C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC=C)C(C)(C)C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O23 mock treatment 3273068.702 -72000.0 -0.08 3776925.926 294000.0 0.31 0.1613 0.5105 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 O24 mock treatment 3370340.996 25300.0 0.03 3125835.821 -357000.0 -0.37 -0.2427 -0.653 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P01 compound treatment 3271686.364 -73400.0 -0.08 3023447.005 -459000.0 -0.48 -0.3936 -0.8138 2065862 ICCB6_000331 CC1(C)OCC2=C(CC(CCc3ccccc3)OC2CCc4ccccc4)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P02 compound treatment 4182808.0 838000.0 0.91 4350628.319 868000.0 0.9 1.2804 1.0 2065863 ICCB6_000332 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P03 compound treatment 3580058.036 235000.0 0.25 4153128.0 671000.0 0.7 0.6731 0.9069 2065864 ICCB6_000333 C1CCC(CC1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P04 compound treatment 4768585.821 1420000.0 1.54 4503440.945 1020000.0 1.06 1.8418 0.9833 2065865 ICCB6_000334 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P05 compound treatment 4338471.483 993000.0 1.08 3989192.469 507000.0 0.53 1.1341 0.9459 2065866 ICCB6_000335 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P06 compound treatment 1145180.556 -2200000.0 -2.39 1101941.176 -2380000.0 -2.47 -3.4362 -0.9998 2065867 ICCB6_000336 CCCCOc1ccc(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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P07 compound treatment 3822311.787 477000.0 0.52 3506536.398 24100.0 0.03 0.3836 0.7405 2065868 ICCB6_000337 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P08 compound treatment 2838610.039 -506000.0 -0.55 2787392.562 -695000.0 -0.72 -0.8991 -0.9908 2065869 ICCB6_000338 C[C@H](Cc1ccccc1)N(C)CC#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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P09 compound treatment 4099586.207 755000.0 0.82 3527577.689 45100.0 0.05 0.6117 0.7464 2065870 ICCB6_000339 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P10 compound treatment 3367851.563 22800.0 0.02 3341825.758 -141000.0 -0.15 -0.0859 -0.5793 2065871 ICCB6_000340 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P11 compound treatment 3766721.805 422000.0 0.46 3818347.059 336000.0 0.35 0.5702 0.9911 2065872 ICCB6_000341 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P12 compound treatment 3371666.667 26600.0 0.03 3245686.992 -237000.0 -0.25 -0.1536 -0.62 2065873 ICCB6_000342 CCOC(OCC)C#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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P13 compound treatment 3092983.871 -252000.0 -0.27 2930734.848 -552000.0 -0.57 -0.5987 -0.9425 2065874 ICCB6_000343 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P14 compound treatment 1773396.552 -1570000.0 -1.7 2170571.429 -1310000.0 -1.36 -2.1692 -0.9939 2065875 ICCB6_000344 Brc1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P15 compound treatment 3238790.78 -106000.0 -0.12 3613871.595 131000.0 0.14 0.0151 0.0847 1952804 ICCB6_000345 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P16 compound treatment 3061842.64 -283000.0 -0.31 3193028.902 -289000.0 -0.3 -0.4298 -0.9999 2065876 ICCB6_000346 CCOC(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P17 compound treatment 2943404.332 -402000.0 -0.44 3022320.144 -460000.0 -0.48 -0.6461 -0.9989 1952838 ICCB6_000347 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P18 compound treatment 1953517.241 -1390000.0 -1.51 2213035.088 -1270000.0 -1.32 -1.9999 -0.9978 2065877 ICCB6_000348 O=C(/C=C\1/C(=O)Nc2ccccc12)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P19 compound treatment 3125277.228 -220000.0 -0.24 3412630.824 -69800.0 -0.07 -0.2198 -0.8824 1952634 ICCB6_000349 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P20 compound treatment 2910206.897 -435000.0 -0.47 2937430.189 -545000.0 -0.57 -0.734 -0.9958 2065878 ICCB6_000350 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P21 compound treatment 3019269.896 -326000.0 -0.35 3037515.625 -445000.0 -0.46 -0.5768 -0.9912 1952770 ICCB6_000351 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P22 compound treatment 2588879.31 -756000.0 -0.82 2763797.872 -719000.0 -0.75 -1.1079 -0.9989 2065879 ICCB6_000352 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P23 mock treatment 3069927.083 -275000.0 -0.3 2852562.963 -630000.0 -0.65 -0.6739 -0.9367 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.1463 P24 mock treatment 3034450.549 -311000.0 -0.34 2986139.098 -496000.0 -0.52 -0.6029 -0.9786 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A01 mock treatment 3646347.222 -74000.0 -0.08 3431408.654 -366000.0 -0.38 -0.3256 -0.8379 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A02 mock treatment 3531000.0 -189000.0 -0.21 3589365.741 -208000.0 -0.22 -0.298 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A03 compound treatment 3404488.038 -316000.0 -0.34 3793451.456 -3820.0 0.0 -0.245 -0.7153 3000673 BCB01_000001 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A04 compound treatment 3280449.153 -440000.0 -0.48 3463075.472 -334000.0 -0.35 -0.5829 -0.9879 3000674 BCB01_000002 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A05 compound treatment 3050590.476 -670000.0 -0.73 3115495.69 -682000.0 -0.71 -1.0146 -0.9999 3000675 BCB01_000003 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A06 compound treatment 3209402.655 -511000.0 -0.55 3268605.769 -529000.0 -0.55 -0.7803 -1.0 3000676 BCB01_000004 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A07 compound treatment 3393004.695 -327000.0 -0.35 3640156.25 -157000.0 -0.16 -0.3665 -0.9379 3093034 BCB01_000005 COc1cc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A08 compound treatment 3152403.433 -568000.0 -0.62 3235866.667 -561000.0 -0.58 -0.8481 -0.9996 3000677 BCB01_000006 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A09 compound treatment 2821847.222 -899000.0 -0.97 3012888.889 -784000.0 -0.82 -1.2654 -0.9961 3093035 BCB01_000007 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A10 compound treatment 2797843.75 -923000.0 -1.0 2928140.187 -869000.0 -0.9 -1.3461 -0.9987 3000678 BCB01_000008 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A11 compound treatment 2993610.092 -727000.0 -0.79 3084500.0 -713000.0 -0.74 -1.0811 -0.9995 3093104 BCB01_000009 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A12 compound treatment 2781733.906 -939000.0 -1.02 3056040.0 -741000.0 -0.77 -1.2644 -0.9906 3093105 BCB01_000010 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A13 compound treatment 3364025.21 -356000.0 -0.39 3676487.179 -121000.0 -0.13 -0.362 -0.891 3000679 BCB01_000011 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A14 compound treatment 3181884.12 -538000.0 -0.58 3062787.879 -734000.0 -0.76 -0.9527 -0.9912 3093106 BCB01_000012 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A15 compound treatment 2745490.196 -975000.0 -1.06 2587092.166 -1210000.0 -1.26 -1.6369 -0.9963 3093107 BCB01_000013 CCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A16 compound treatment 2850864.486 -869000.0 -0.94 2929582.09 -868000.0 -0.9 -1.3044 -0.9998 3000680 BCB01_000014 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A17 compound treatment 2974752.066 -746000.0 -0.81 3175594.828 -622000.0 -0.65 -1.0286 -0.9938 3093108 BCB01_000015 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C)C3=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A18 compound treatment 2980611.94 -740000.0 -0.8 3043685.99 -754000.0 -0.78 -1.121 -0.9999 3093109 BCB01_000016 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A19 compound treatment 3087527.523 -633000.0 -0.69 3013603.774 -784000.0 -0.81 -1.0612 -0.9964 3000681 BCB01_000017 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C)C3=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A20 compound treatment 2958318.627 -762000.0 -0.83 2932024.793 -865000.0 -0.9 -1.2202 -0.9991 3093110 BCB01_000018 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A21 compound treatment 3035363.265 -685000.0 -0.74 2847356.846 -950000.0 -0.99 -1.2233 -0.9901 3000682 BCB01_000019 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A22 compound treatment 3004837.398 -716000.0 -0.78 3015991.15 -781000.0 -0.81 -1.1228 -0.9997 3093111 BCB01_000020 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A23 mock treatment 2994265.487 -726000.0 -0.79 3171059.289 -626000.0 -0.65 -1.0169 -0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 A24 mock treatment 3004835.443 -716000.0 -0.78 3059585.657 -738000.0 -0.77 -1.0908 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B01 mock treatment 3572628.713 -148000.0 -0.16 3801879.808 4610.0 0.0 -0.1099 -0.6857 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B02 mock treatment 4922013.333 1200000.0 1.3 4320818.584 524000.0 0.54 1.3061 0.925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B03 compound treatment 4300218.182 580000.0 0.63 4666580.189 869000.0 0.9 1.0835 0.9843 3093112 BCB01_000021 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B04 compound treatment 4446828.571 726000.0 0.79 4168330.144 371000.0 0.39 0.8297 0.946 3000683 BCB01_000022 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B05 compound treatment 3903532.11 183000.0 0.2 3834431.28 37200.0 0.04 0.1678 0.8291 3093113 BCB01_000023 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B06 compound treatment 4004452.489 284000.0 0.31 3676644.444 -121000.0 -0.13 0.1292 0.3884 3093114 BCB01_000024 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B07 compound treatment 3074278.689 -646000.0 -0.7 2900557.522 -897000.0 -0.93 -1.1544 -0.9901 3000684 BCB01_000025 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B08 compound treatment 4334220.264 614000.0 0.67 4131788.288 335000.0 0.35 0.7165 0.9541 3093115 BCB01_000026 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B09 compound treatment 3765979.899 45600.0 0.05 3544322.115 -253000.0 -0.26 -0.1509 -0.5641 3093116 BCB01_000027 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B10 compound treatment 3350216.814 -370000.0 -0.4 3416368.932 -381000.0 -0.4 -0.5637 -1.0 3000685 BCB01_000028 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B11 compound treatment 3710550.459 -9800.0 -0.01 3564459.574 -233000.0 -0.24 -0.1786 -0.7374 3093117 BCB01_000029 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(C)cc(C)cc4C)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B12 compound treatment 2003264.706 -1720000.0 -1.86 2592973.214 -1200000.0 -1.25 -2.2016 -0.9813 3093118 BCB01_000030 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B13 compound treatment 3717465.517 -2890.0 0.0 3501839.806 -295000.0 -0.31 -0.2193 -0.7143 3000686 BCB01_000031 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4C)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B14 compound treatment 3309824.49 -411000.0 -0.45 3538492.147 -259000.0 -0.27 -0.5049 -0.9709 3093119 BCB01_000032 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccco4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B15 compound treatment 3671896.104 -48500.0 -0.05 3750270.492 -47000.0 -0.05 -0.0717 -0.9993 3093120 BCB01_000033 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(c4ccccc4)c5ccccc5)C(=O)N(C3=O)c6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B16 compound treatment 2883563.492 -837000.0 -0.91 3236526.316 -561000.0 -0.58 -1.0537 -0.9771 3000687 BCB01_000034 CCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B17 compound treatment 3435960.526 -284000.0 -0.31 3612830.435 -184000.0 -0.19 -0.3536 -0.9739 3000688 BCB01_000035 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B18 compound treatment 935842.8571 -2780000.0 -3.02 943242.4242 -2850000.0 -2.97 -4.2325 -1.0 3093121 BCB01_000036 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B19 compound treatment 3701101.523 -19200.0 -0.02 3943748.792 146000.0 0.15 0.0929 0.6045 3093122 BCB01_000037 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B20 compound treatment 2910905.579 -809000.0 -0.88 2978004.831 -819000.0 -0.85 -1.2227 -0.9999 3093123 BCB01_000038 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B21 compound treatment 3563389.513 -157000.0 -0.17 3693165.957 -104000.0 -0.11 -0.1969 -0.9761 3000689 BCB01_000039 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B22 compound treatment 1183543.86 -2540000.0 -2.75 1037016.129 -2760000.0 -2.87 -3.9737 -0.9998 3093124 BCB01_000040 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B23 mock treatment 3660335.878 -60000.0 -0.07 3615676.991 -182000.0 -0.19 -0.1795 -0.899 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 B24 mock treatment 3155650.558 -565000.0 -0.61 3538941.423 -258000.0 -0.27 -0.6228 -0.9316 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C01 mock treatment 3265076.555 -455000.0 -0.49 3382799.043 -414000.0 -0.43 -0.6537 -0.9977 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C02 mock treatment 3656688.372 -63700.0 -0.07 3893370.732 96100.0 0.1 0.0218 0.1797 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C03 compound treatment 3453995.215 -266000.0 -0.29 3663888.889 -133000.0 -0.14 -0.3022 -0.9435 3000690 BCB01_000041 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C)C3=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C04 compound treatment 3132708.52 -588000.0 -0.64 3248366.516 -549000.0 -0.57 -0.854 -0.9985 3093125 BCB01_000042 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C05 compound treatment 3483323.81 -237000.0 -0.26 3466924.883 -330000.0 -0.34 -0.4245 -0.9898 3093282 BCB01_000043 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C)C3=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C06 compound treatment 3596572.052 -124000.0 -0.13 3437956.897 -359000.0 -0.37 -0.359 -0.9046 3000691 BCB01_000044 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C07 compound treatment 3447029.167 -273000.0 -0.3 3727153.11 -70100.0 -0.07 -0.2611 -0.8555 3093194 BCB01_000045 COc1cc(NN2C3C(C=CC2C(O)C4CCC(CC4)C(=C)C)C(=O)N(C)C3=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C08 compound treatment 2855180.0 -865000.0 -0.94 2656333.333 -1140000.0 -1.19 -1.5019 -0.9933 3093195 BCB01_000046 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C09 compound treatment 3404831.897 -316000.0 -0.34 3587963.964 -209000.0 -0.22 -0.3957 -0.9761 3000692 BCB01_000047 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C)C3=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C10 compound treatment 3019143.478 -701000.0 -0.76 3217329.787 -580000.0 -0.6 -0.9639 -0.9934 3093196 BCB01_000048 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)/C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C11 compound treatment 3093927.126 -626000.0 -0.68 3179102.222 -618000.0 -0.64 -0.9346 -0.9996 3093197 BCB01_000049 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C12 compound treatment 3080813.131 -640000.0 -0.69 3087692.308 -710000.0 -0.74 -1.0119 -0.9995 3000693 BCB01_000050 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C13 compound treatment 3613485.577 -107000.0 -0.12 3933198.113 136000.0 0.14 0.018 0.0983 3093198 BCB01_000051 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C14 compound treatment 3528788.618 -192000.0 -0.21 3830560.538 33300.0 0.03 -0.1224 -0.5813 3000694 BCB01_000052 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C15 compound treatment 4074793.722 354000.0 0.38 3361442.149 -436000.0 -0.45 -0.0486 -0.0818 3093199 BCB01_000053 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C16 compound treatment 3591626.168 -129000.0 -0.14 3570688.442 -227000.0 -0.24 -0.2652 -0.9688 3093200 BCB01_000054 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C17 compound treatment 3262139.64 -458000.0 -0.5 3286724.868 -511000.0 -0.53 -0.7265 -0.9995 3000695 BCB01_000055 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C18 compound treatment 3435038.095 -285000.0 -0.31 3409279.817 -388000.0 -0.4 -0.5039 -0.9914 3093201 BCB01_000056 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C19 compound treatment 3241088.889 -479000.0 -0.52 3493526.066 -304000.0 -0.32 -0.5907 -0.9715 3093202 BCB01_000057 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C20 compound treatment 3366634.328 -354000.0 -0.38 3864214.612 66900.0 0.07 -0.222 -0.5695 3000696 BCB01_000058 COc1ccc(cc1)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C21 compound treatment 3324192.593 -396000.0 -0.43 3845601.81 48300.0 0.05 -0.2682 -0.6202 3093203 BCB01_000059 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C22 compound treatment 3645478.261 -74900.0 -0.08 3457350.0 -340000.0 -0.35 -0.3072 -0.8475 3093204 BCB01_000060 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C23 mock treatment 3519036.585 -201000.0 -0.22 3441456.067 -356000.0 -0.37 -0.4159 -0.9684 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 C24 mock treatment 3578448.276 -142000.0 -0.15 3282054.545 -515000.0 -0.54 -0.4875 -0.8749 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D01 mock treatment 3427637.755 -293000.0 -0.32 4219365.854 422000.0 0.44 0.0858 0.1585 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D02 mock treatment 4613506.329 893000.0 0.97 4163408.867 366000.0 0.38 0.9539 0.9167 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D03 compound treatment 4546560.811 826000.0 0.9 4802651.852 1010000.0 1.05 1.3724 0.9971 3000697 BCB01_000061 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccc(O)c4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D04 compound treatment 1170833.333 -2550000.0 -2.76 1375120.0 -2420000.0 -2.52 -3.7349 -0.9989 3093205 BCB01_000062 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D05 compound treatment 4090696.833 370000.0 0.4 4842968.037 1050000.0 1.09 1.0525 0.9083 3093206 BCB01_000063 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)B(O)O)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D06 compound treatment 3980497.835 260000.0 0.28 3986286.344 189000.0 0.2 0.3384 0.9844 3000698 BCB01_000064 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D07 compound treatment 3521915.556 -198000.0 -0.22 3244467.249 -553000.0 -0.57 -0.5584 -0.9102 3093207 BCB01_000065 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cn(C(=O)C)c5ccccc45)C(=O)N(C3=O)c6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D08 compound treatment 4062277.778 342000.0 0.37 3980380.952 183000.0 0.19 0.3967 0.952 3000792 BCB01_000066 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D09 compound treatment 3199978.723 -520000.0 -0.56 3810095.238 12800.0 0.01 -0.3895 -0.6902 3000794 BCB01_000067 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(C)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D10 compound treatment 1415920.0 -2300000.0 -2.5 3227670.886 -570000.0 -0.59 -2.1854 -0.8511 3000796 BCB01_000068 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D11 compound treatment 3433817.427 -287000.0 -0.31 3328512.563 -469000.0 -0.49 -0.5642 -0.9764 3000797 BCB01_000069 CC(C)c1ccc(NN2C3C(C=CC2C(O)CC(C)c4ccc(C)o4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D12 compound treatment 2818650.485 -902000.0 -0.98 2825645.161 -972000.0 -1.01 -1.4054 -0.9999 3093208 BCB01_000070 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4c(F)cccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D13 compound treatment 3077833.333 -643000.0 -0.7 3356178.571 -441000.0 -0.46 -0.8168 -0.9794 3093209 BCB01_000071 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccs4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D14 compound treatment 1316764.706 -2400000.0 -2.61 1359531.915 -2440000.0 -2.53 -3.6345 -0.9999 3000798 BCB01_000072 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D15 compound treatment 2860671.171 -860000.0 -0.93 3229398.01 -568000.0 -0.59 -1.0765 -0.9757 3093210 BCB01_000073 CC(C)c1ccc(NN2C3C(C=CC2C(O)Cc4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D16 compound treatment 3096568.627 -624000.0 -0.68 3218493.213 -579000.0 -0.6 -0.9036 -0.9983 3000800 BCB01_000074 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D17 compound treatment 3333042.194 -387000.0 -0.42 3337585.253 -460000.0 -0.48 -0.6348 -0.9979 3093211 BCB01_000075 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D18 compound treatment 1398310.811 -2320000.0 -2.52 1360827.586 -2440000.0 -2.53 -3.571 -1.0 3000876 BCB01_000076 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c(C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D19 compound treatment 3037690.909 -683000.0 -0.74 3145185.0 -652000.0 -0.68 -1.0027 -0.999 3000877 BCB01_000077 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc5OCOc5c4)C(=O)N(C3=O)c6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D20 compound treatment 2471319.728 -1250000.0 -1.35 3171763.285 -626000.0 -0.65 -1.4174 -0.9435 3000878 BCB01_000078 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D21 compound treatment 2944309.859 -776000.0 -0.84 2964721.739 -833000.0 -0.87 -1.2069 -0.9999 3000880 BCB01_000079 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4=C[C@H]5C[C@@H](C4)C5(C)C)C(=O)N(C3=O)c6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D22 compound treatment 2601142.241 -1120000.0 -1.21 2742702.83 -1050000.0 -1.1 -1.6332 -0.9987 3093212 BCB01_000080 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D23 mock treatment 3192917.695 -527000.0 -0.57 3405858.921 -391000.0 -0.41 -0.6921 -0.9861 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 D24 mock treatment 2972665.254 -748000.0 -0.81 2845815.668 -951000.0 -0.99 -1.2725 -0.9951 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E01 mock treatment 4254221.239 534000.0 0.58 4172169.811 375000.0 0.39 0.6849 0.9815 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E02 mock treatment 4527587.234 807000.0 0.88 4429311.881 632000.0 0.66 1.0834 0.99 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E03 compound treatment 3770654.639 50300.0 0.05 3912666.667 115000.0 0.12 0.1234 0.9364 3000882 BCB01_000081 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E04 compound treatment 4793626.168 1070000.0 1.16 4544645.631 747000.0 0.78 1.3722 0.9807 3093213 BCB01_000082 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E05 compound treatment 4189909.871 470000.0 0.51 3978200.913 181000.0 0.19 0.493 0.9083 3093214 BCB01_000083 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E06 compound treatment 4670353.211 950000.0 1.03 4139716.738 342000.0 0.36 0.98 0.8993 3000884 BCB01_000084 CN1C(=O)C2C=CC(C(O)C3CCC(CC3)C(=C)C)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E07 compound treatment 4286963.71 567000.0 0.61 4324485.83 527000.0 0.55 0.8219 0.9984 3093215 BCB01_000085 CN1C(=O)C2C=CC(C(O)c3ccco3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E08 compound treatment 4071368.664 351000.0 0.38 4268860.169 472000.0 0.49 0.6157 0.9922 3093216 BCB01_000086 CCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E09 compound treatment 4214573.46 494000.0 0.54 4042466.368 245000.0 0.25 0.5591 0.9423 3000885 BCB01_000087 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E10 compound treatment 3441608.491 -279000.0 -0.3 3691965.517 -105000.0 -0.11 -0.2911 -0.9056 3093283 BCB01_000088 CCCCCCCCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E11 compound treatment 3504564.444 -216000.0 -0.23 3674897.541 -122000.0 -0.13 -0.2554 -0.959 3093284 BCB01_000089 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E12 compound treatment 4359147.208 639000.0 0.69 4429684.932 632000.0 0.66 0.9546 0.9997 3000886 BCB01_000090 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E13 compound treatment 4124004.902 404000.0 0.44 3638100.775 -159000.0 -0.17 0.1925 0.4114 3093285 BCB01_000091 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E14 compound treatment 4234270.386 514000.0 0.56 4265276.86 468000.0 0.49 0.738 0.9977 3093286 BCB01_000092 COc1ccc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E15 compound treatment 3398612.745 -322000.0 -0.35 2683591.667 -1110000.0 -1.16 -1.0652 -0.8811 3000889 BCB01_000093 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E16 compound treatment 4096337.302 376000.0 0.41 4055652.51 258000.0 0.27 0.4782 0.9795 3093287 BCB01_000094 COc1cc(Br)cc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E17 compound treatment 3801225.108 80900.0 0.09 3829958.678 32700.0 0.03 0.086 0.9148 3093288 BCB01_000095 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E18 compound treatment 4211388.889 491000.0 0.53 3920742.308 123000.0 0.13 0.4672 0.8531 3000890 BCB01_000096 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3N5CCCCC5)C(=O)N(C)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E19 compound treatment 4300800.885 580000.0 0.63 4133113.043 336000.0 0.35 0.6919 0.9613 3093289 BCB01_000097 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E20 compound treatment 4123867.47 404000.0 0.44 3996255.814 199000.0 0.21 0.4556 0.9415 3093290 BCB01_000098 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E21 compound treatment 3487323.843 -233000.0 -0.25 3595420.455 -202000.0 -0.21 -0.327 -0.9957 3000891 BCB01_000099 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E22 compound treatment 3992894.531 273000.0 0.3 3994033.613 197000.0 0.2 0.3536 0.9838 3093291 BCB01_000100 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E23 mock treatment 3742037.344 21700.0 0.02 3804485.106 7210.0 0.01 0.0219 0.8885 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 E24 mock treatment 3705772.512 -14600.0 -0.02 3574187.5 -223000.0 -0.23 -0.1751 -0.7536 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F01 mock treatment 4143859.729 424000.0 0.46 4200470.874 403000.0 0.42 0.621 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F02 mock treatment 5221032.258 1500000.0 1.63 5143926.829 1350000.0 1.4 2.1403 0.9972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F03 compound treatment 4576483.721 856000.0 0.93 4833514.423 1040000.0 1.08 1.418 0.9973 3093292 BCB01_000101 CC(C)c1ccc(NN2C3C(C=CC2C(O)/C=C(\C)/CCC=C(C)C)C(=O)N(C3=O)c4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F04 compound treatment 941553.8462 -2780000.0 -3.01 1193176.471 -2600000.0 -2.71 -4.0444 -0.9986 3000892 BCB01_000102 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F05 compound treatment 4693284.519 973000.0 1.05 4916490.826 1120000.0 1.16 1.5685 0.9988 3093293 BCB01_000103 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F06 compound treatment 1240260.0 -2480000.0 -2.69 1459162.791 -2340000.0 -2.43 -3.6199 -0.9987 3000894 BCB01_000104 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F07 compound treatment 4669123.348 949000.0 1.03 5031155.251 1230000.0 1.28 1.6343 0.994 3093294 BCB01_000105 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F08 compound treatment 4644615.686 924000.0 1.0 4421545.455 624000.0 0.65 1.1675 0.9779 3093295 BCB01_000106 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F09 compound treatment 5035141.079 1310000.0 1.43 4642080.508 845000.0 0.88 1.629 0.9729 3000896 BCB01_000107 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F10 compound treatment 3625964.427 -94400.0 -0.1 3796757.009 -516.0 0.0 -0.0727 -0.7108 3093296 BCB01_000108 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F11 compound treatment 4502668.0 782000.0 0.85 4132170.854 335000.0 0.35 0.8459 0.9226 3093297 BCB01_000109 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)C(=O)C)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F12 compound treatment 3761728.625 41400.0 0.04 3871938.095 74700.0 0.08 0.0866 0.9661 3000898 BCB01_000110 CC(C)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F13 compound treatment 3637347.594 -83000.0 -0.09 3736186.528 -61100.0 -0.06 -0.1085 -0.9854 3000979 BCB01_000111 CCCCCCCCCCC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F14 compound treatment 3965710.526 245000.0 0.27 3535772.894 -262000.0 -0.27 -0.0041 -0.0107 3000980 BCB01_000112 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc(O)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F15 compound treatment 4262894.531 543000.0 0.59 3837555.985 40300.0 0.04 0.4456 0.7555 3000981 BCB01_000113 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F16 compound treatment 4146466.418 426000.0 0.46 3655513.274 -142000.0 -0.15 0.2225 0.4588 3000982 BCB01_000114 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F17 compound treatment 4264621.993 544000.0 0.59 3569356.364 -228000.0 -0.24 0.2498 0.3928 3000984 BCB01_000115 COc1ccc(C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O)c4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F18 compound treatment 4198102.222 478000.0 0.52 3915705.069 118000.0 0.12 0.4533 0.8514 3093298 BCB01_000116 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c(C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F19 compound treatment 3844500.0 124000.0 0.13 3918514.286 121000.0 0.13 0.1843 0.9995 3093299 BCB01_000117 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F20 compound treatment 3020145.833 -700000.0 -0.76 3129308.55 -668000.0 -0.69 -1.0278 -0.999 3000987 BCB01_000118 CC(=O)N1CC(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F21 compound treatment 3201811.448 -519000.0 -0.56 3345062.5 -452000.0 -0.47 -0.7299 -0.996 3093300 BCB01_000119 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F22 compound treatment 3239158.249 -481000.0 -0.52 3494953.191 -302000.0 -0.31 -0.5911 -0.9705 3093301 BCB01_000120 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F23 mock treatment 3800442.553 80100.0 0.09 3582970.213 -214000.0 -0.22 -0.0961 -0.402 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 F24 mock treatment 3404140.969 -316000.0 -0.34 3491458.824 -306000.0 -0.32 -0.4672 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G01 mock treatment 4339583.756 619000.0 0.67 4608552.885 811000.0 0.84 1.071 0.9936 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G02 mock treatment 4425562.5 705000.0 0.76 5231203.704 1430000.0 1.49 1.5946 0.9519 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G03 compound treatment 4285644.068 565000.0 0.61 4316702.83 519000.0 0.54 0.8152 0.998 3000990 BCB01_000121 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G04 compound treatment 3767574.803 47200.0 0.05 3598164.384 -199000.0 -0.21 -0.1101 -0.5166 3093302 BCB01_000122 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G05 compound treatment 4316586.066 596000.0 0.65 4301575.51 504000.0 0.52 0.8278 0.9946 3093303 BCB01_000123 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G06 compound treatment 4269036.199 549000.0 0.59 4674131.356 877000.0 0.91 1.0651 0.9786 3000991 BCB01_000124 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G07 compound treatment 3569890.688 -150000.0 -0.16 3935043.269 138000.0 0.14 -0.0141 -0.065 3093304 BCB01_000125 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G08 compound treatment 4089557.692 369000.0 0.4 4248189.873 451000.0 0.47 0.6145 0.9969 3000992 BCB01_000126 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G09 compound treatment 3437108.696 -283000.0 -0.31 3788548.387 -8720.0 -0.01 -0.2236 -0.7277 3093373 BCB01_000127 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G10 compound treatment 3780966.418 60600.0 0.07 3498388.06 -299000.0 -0.31 -0.1732 -0.5454 3093374 BCB01_000128 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G11 compound treatment 3902261.324 182000.0 0.2 3992688.995 195000.0 0.2 0.2831 0.9999 3000993 BCB01_000129 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G12 compound treatment 4072180.556 352000.0 0.38 3988923.469 192000.0 0.2 0.4106 0.9541 3093375 BCB01_000130 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(C2C1=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G13 compound treatment 3944298.755 224000.0 0.24 3966696.0 169000.0 0.18 0.2962 0.9876 3093376 BCB01_000131 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G14 compound treatment 4154470.37 434000.0 0.47 3996411.765 199000.0 0.21 0.4792 0.9319 3000994 BCB01_000132 C/C=C/C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G15 compound treatment 3232346.29 -488000.0 -0.53 3554352.727 -243000.0 -0.25 -0.5527 -0.9427 3093377 BCB01_000133 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G16 compound treatment 3982981.203 263000.0 0.28 3950205.128 153000.0 0.16 0.3138 0.9621 3000995 BCB01_000134 CCC(CC)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G17 compound treatment 3867989.209 148000.0 0.16 4001073.077 204000.0 0.21 0.263 0.9905 3093378 BCB01_000135 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccco5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G18 compound treatment 3897439.216 177000.0 0.19 3743000.0 -54300.0 -0.06 0.0959 0.4791 3000996 BCB01_000136 CC(C)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G19 compound treatment 3677014.76 -43300.0 -0.05 3707936.759 -89300.0 -0.09 -0.0989 -0.9502 3093379 BCB01_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G20 compound treatment 3385270.492 -335000.0 -0.36 4137732.0 340000.0 0.35 -0.0067 -0.0132 3093380 BCB01_000138 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G21 compound treatment 3387690.84 -333000.0 -0.36 3455761.733 -342000.0 -0.35 -0.5061 -1.0 3000997 BCB01_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G22 compound treatment 3823978.814 104000.0 0.11 3442811.321 -354000.0 -0.37 -0.1811 -0.4701 3093381 BCB01_000140 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G23 mock treatment 3435042.553 -285000.0 -0.31 3675470.588 -122000.0 -0.13 -0.3083 -0.9222 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 G24 mock treatment 3739758.755 19400.0 0.02 3510677.419 -287000.0 -0.3 -0.1958 -0.6555 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H01 mock treatment 4444916.279 725000.0 0.79 4000306.452 203000.0 0.21 0.7047 0.8663 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H02 mock treatment 5144187.215 1420000.0 1.54 5128088.372 1330000.0 1.38 2.0698 0.9985 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H03 compound treatment 6392752.252 2670000.0 2.9 5276708.543 1480000.0 1.54 3.1363 0.9561 3000998 BCB01_000141 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H04 compound treatment 3929686.567 209000.0 0.23 3992773.504 196000.0 0.2 0.3042 0.9985 3093382 BCB01_000142 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H05 compound treatment 4732259.574 1010000.0 1.1 4537711.111 740000.0 0.77 1.32 0.985 3093383 BCB01_000143 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H06 compound treatment 4338168.95 618000.0 0.67 4790205.882 993000.0 1.03 1.2035 0.9781 3000999 BCB01_000144 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(C#N)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H07 compound treatment 4663934.783 944000.0 1.02 4649064.655 852000.0 0.89 1.3495 0.9974 3093384 BCB01_000145 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H08 compound treatment 3940429.688 220000.0 0.24 3779284.091 -18000.0 -0.02 0.1555 0.6497 3093385 BCB01_000146 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc5OCOc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H09 compound treatment 4407375.0 687000.0 0.74 4464700.441 667000.0 0.69 1.0173 0.9994 3001000 BCB01_000147 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H10 compound treatment 1222835.821 -2500000.0 -2.71 1761787.879 -2040000.0 -2.12 -3.4109 -0.9925 3001068 BCB01_000148 CC1(C)[C@H]2CC1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H11 compound treatment 4227718.254 507000.0 0.55 4624459.677 827000.0 0.86 0.997 0.9767 3001069 BCB01_000149 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H12 compound treatment 3384094.406 -336000.0 -0.36 3537854.701 -259000.0 -0.27 -0.4485 -0.989 3001070 BCB01_000150 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H13 compound treatment 3927285.714 207000.0 0.22 4140691.45 343000.0 0.36 0.4111 0.975 3001072 BCB01_000151 C/C=C/C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H14 compound treatment 2981568.266 -739000.0 -0.8 3000412.322 -797000.0 -0.83 -1.1521 -0.9999 3093386 BCB01_000152 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)/C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H15 compound treatment 3980161.538 260000.0 0.28 3951013.1 154000.0 0.16 0.3122 0.9639 3001073 BCB01_000153 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(NC(=O)OC(C)(C)C)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H16 compound treatment 3721829.63 1480.0 0.0 3948588.235 151000.0 0.16 0.1123 0.7143 3093387 BCB01_000154 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H17 compound treatment 4014579.125 294000.0 0.32 4023658.537 226000.0 0.24 0.392 0.9888 3093388 BCB01_000155 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H18 compound treatment 3345011.236 -375000.0 -0.41 3947655.678 150000.0 0.16 -0.1772 -0.4066 3001076 BCB01_000156 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(I)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H19 compound treatment 3872970.696 153000.0 0.17 3774850.909 -22400.0 -0.02 0.1005 0.6016 3093389 BCB01_000157 CC(C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H20 compound treatment 3784801.444 64500.0 0.07 3831605.839 34300.0 0.04 0.0746 0.9513 3093390 BCB01_000158 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H21 compound treatment 4053362.791 333000.0 0.36 3743709.402 -53600.0 -0.06 0.2159 0.5911 3001078 BCB01_000159 CC(CC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccc(C)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H22 compound treatment 3684962.457 -35400.0 -0.04 4009873.913 213000.0 0.22 0.1291 0.5757 3093391 BCB01_000160 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H23 mock treatment 3930080.321 210000.0 0.23 4042130.597 245000.0 0.25 0.3408 0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 H24 mock treatment 3254982.332 -465000.0 -0.5 3850208.531 52900.0 0.06 -0.3179 -0.6263 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I01 mock treatment 4294313.636 574000.0 0.62 4676893.939 880000.0 0.91 1.0866 0.9824 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I02 mock treatment 4810345.133 1090000.0 1.18 5178428.571 1380000.0 1.44 1.8508 0.9953 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I03 compound treatment 4379181.034 659000.0 0.71 4483032.558 686000.0 0.71 1.0091 1.0 3001079 BCB01_000161 CN1C(=O)C2C=CC(C(O)c3cccc(O)c3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I04 compound treatment 4127211.712 407000.0 0.44 4668400.922 871000.0 0.91 0.9522 0.9454 3093392 BCB01_000162 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I05 compound treatment 4250018.1 530000.0 0.57 4315412.556 518000.0 0.54 0.7869 0.9995 3093393 BCB01_000163 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I06 compound treatment 4287940.887 568000.0 0.62 4060334.906 263000.0 0.27 0.6285 0.9333 3001081 BCB01_000164 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I07 compound treatment 4065206.226 345000.0 0.37 4307819.005 511000.0 0.53 0.6396 0.9853 3093394 BCB01_000165 CN1C(=O)C2C=CC(C(O)c3cn(C(=O)C)c4ccccc34)N(Nc5ccccc5)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I08 compound treatment 3309919.54 -410000.0 -0.45 3552345.528 -245000.0 -0.25 -0.4947 -0.9649 3093395 BCB01_000166 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I09 compound treatment 3779839.416 59500.0 0.06 4198324.427 401000.0 0.42 0.3404 0.8069 3001082 BCB01_000167 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I10 compound treatment 4270101.215 550000.0 0.6 4226605.505 429000.0 0.45 0.737 0.9898 3093464 BCB01_000168 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I11 compound treatment 3956690.265 236000.0 0.26 3932099.567 135000.0 0.14 0.2803 0.9597 3001083 BCB01_000169 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I12 compound treatment 3795509.434 75200.0 0.08 3730838.583 -66400.0 -0.07 0.0088 0.0823 3093465 BCB01_000170 CN1C(=O)C2C=CC(C(O)c3cccn3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I13 compound treatment 3843893.939 124000.0 0.13 4002921.26 206000.0 0.21 0.2459 0.9747 3093466 BCB01_000171 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccc(C)o4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I14 compound treatment 3509028.926 -211000.0 -0.23 3800128.514 2860.0 0.0 -0.1599 -0.6979 3001084 BCB01_000172 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I15 compound treatment 3814907.285 94600.0 0.1 3750737.374 -46500.0 -0.05 0.0383 0.3378 3093467 BCB01_000173 CN1C(=O)C2C=CC(C(O)c3cccs3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I16 compound treatment 4007058.333 287000.0 0.31 4031795.652 235000.0 0.24 0.3922 0.9928 3093468 BCB01_000174 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I17 compound treatment 3629789.298 -90600.0 -0.1 3649658.436 -148000.0 -0.15 -0.1779 -0.9767 3001085 BCB01_000175 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I18 compound treatment 3828756.184 108000.0 0.12 3960952.381 164000.0 0.17 0.2034 0.9837 3093469 BCB01_000176 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I19 compound treatment 3789025.641 68700.0 0.07 3798933.852 1660.0 0.0 0.0539 0.7233 3001086 BCB01_000177 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccccc5)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I20 compound treatment 3820438.735 100000.0 0.11 3934235.294 137000.0 0.14 0.1774 0.991 3093470 BCB01_000178 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I21 compound treatment 3879949.64 160000.0 0.17 3984315.985 187000.0 0.19 0.2598 0.9983 3001087 BCB01_000179 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I22 compound treatment 3854098.655 134000.0 0.15 3983884.758 187000.0 0.19 0.2397 0.9897 3093471 BCB01_000180 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I23 mock treatment 4115360.87 395000.0 0.43 3999480.0 202000.0 0.21 0.4515 0.9463 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 I24 mock treatment 3690481.132 -29900.0 -0.03 3602782.222 -194000.0 -0.2 -0.1658 -0.8101 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J01 mock treatment 4455283.505 735000.0 0.8 4361233.161 564000.0 0.59 0.978 0.9886 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J02 mock treatment 5087229.437 1370000.0 1.48 5409599.057 1610000.0 1.68 2.233 0.9981 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J03 compound treatment 5052463.636 1330000.0 1.44 5349395.349 1550000.0 1.61 2.1621 0.9985 3093472 BCB01_000181 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J04 compound treatment 4934208.333 1210000.0 1.32 4816633.333 1020000.0 1.06 1.6799 0.9942 3001088 BCB01_000182 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J05 compound treatment 3692708.155 -27600.0 -0.03 3869631.356 72400.0 0.08 0.032 0.3951 3093473 BCB01_000183 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J06 compound treatment 5032394.737 1310000.0 1.42 5149274.262 1350000.0 1.41 1.9996 1.0 3093474 BCB01_000184 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J07 compound treatment 4750885.0 1030000.0 1.12 4414536.364 617000.0 0.64 1.2438 0.9653 3001089 BCB01_000185 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J08 compound treatment 4616442.857 896000.0 0.97 4497044.643 700000.0 0.73 1.2013 0.9898 3001153 BCB01_000186 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J09 compound treatment 3127766.169 -593000.0 -0.64 2976769.585 -821000.0 -0.85 -1.0574 -0.9903 3001154 BCB01_000187 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J10 compound treatment 4503357.143 783000.0 0.85 4572496.183 775000.0 0.81 1.1701 0.9997 3001156 BCB01_000188 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J11 compound treatment 4344504.505 624000.0 0.68 4130957.983 334000.0 0.35 0.7238 0.9518 3001157 BCB01_000189 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J12 compound treatment 4519848.739 799000.0 0.87 4417718.75 620000.0 0.64 1.069 0.9894 3093475 BCB01_000190 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccco4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J13 compound treatment 4653200.0 933000.0 1.01 4269397.112 472000.0 0.49 1.0622 0.9448 3093476 BCB01_000191 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J14 compound treatment 4120187.713 400000.0 0.43 4249932.271 453000.0 0.47 0.6392 0.9992 3001159 BCB01_000192 CCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J15 compound treatment 3644707.819 -75600.0 -0.08 3857085.714 59800.0 0.06 -0.014 -0.1364 3093477 BCB01_000193 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J16 compound treatment 3252631.818 -468000.0 -0.51 3084744.565 -713000.0 -0.74 -0.8823 -0.9829 3001160 BCB01_000194 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J17 compound treatment 3467988.636 -252000.0 -0.27 3530217.742 -267000.0 -0.28 -0.3898 -1.0 3093478 BCB01_000195 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J18 compound treatment 3931579.661 211000.0 0.23 3961824.373 165000.0 0.17 0.2829 0.9897 3093479 BCB01_000196 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J19 compound treatment 3936265.683 216000.0 0.23 3654682.848 -143000.0 -0.15 0.0607 0.2192 3001161 BCB01_000197 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J20 compound treatment 3796585.455 76200.0 0.08 3708277.372 -89000.0 -0.09 -0.007 -0.0561 3093480 BCB01_000198 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J21 compound treatment 3587803.448 -133000.0 -0.14 3590019.38 -207000.0 -0.22 -0.2539 -0.9806 3093481 BCB01_000199 CCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J22 compound treatment 3984996.479 265000.0 0.29 4111353.16 314000.0 0.33 0.4337 0.9979 3001163 BCB01_000200 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J23 mock treatment 3959565.737 239000.0 0.26 3876726.19 79500.0 0.08 0.2418 0.8883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 J24 mock treatment 3381691.12 -339000.0 -0.37 3604504.237 -193000.0 -0.2 -0.4013 -0.9594 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K01 mock treatment 3775036.866 54700.0 0.06 4009775.701 213000.0 0.22 0.1981 0.8663 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K02 mock treatment 4532952.756 813000.0 0.88 4685941.964 889000.0 0.92 1.2762 0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K03 compound treatment 4488300.813 768000.0 0.83 4561635.193 764000.0 0.79 1.1506 0.9997 3093482 BCB01_000201 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccccc4)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K04 compound treatment 4173065.455 453000.0 0.49 4541972.763 745000.0 0.77 0.8944 0.9758 3001164 BCB01_000202 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K05 compound treatment 3658451.22 -61900.0 -0.07 3604018.265 -193000.0 -0.2 -0.1895 -0.8947 3093483 BCB01_000203 CN1C(=O)C2C=CC(C(O)/C=C(\C)/CCC=C(C)C)N(Nc3ccccc3)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K06 compound treatment 3334274.074 -386000.0 -0.42 3725882.883 -71400.0 -0.07 -0.3485 -0.8197 3093484 BCB01_000204 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K07 compound treatment 3935556.818 215000.0 0.23 4237926.23 441000.0 0.46 0.4889 0.951 3000112 BCB01_000205 CN1C(=O)C2C=CC(C(O)C(C)(C)C)N(Nc3ccccc3)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K08 compound treatment 3557115.894 -163000.0 -0.18 3929597.345 132000.0 0.14 -0.0279 -0.1245 3000114 BCB01_000206 COc1ccc(cc1)C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K09 compound treatment 4058019.305 338000.0 0.37 4188568.182 391000.0 0.41 0.5465 0.9986 3000115 BCB01_000207 CCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K10 compound treatment 4235086.022 515000.0 0.56 4174559.028 377000.0 0.39 0.6719 0.9851 3000116 BCB01_000208 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K11 compound treatment 3403623.077 -317000.0 -0.34 3528607.143 -269000.0 -0.28 -0.4403 -0.9947 3000118 BCB01_000209 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K12 compound treatment 4000152.263 280000.0 0.3 4137318.841 340000.0 0.35 0.4644 0.9971 3093485 BCB01_000210 CCCCC(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K13 compound treatment 3638060.837 -82300.0 -0.09 3521654.485 -276000.0 -0.29 -0.2657 -0.8854 3093645 BCB01_000211 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K14 compound treatment 3938317.164 218000.0 0.24 3966409.594 169000.0 0.18 0.2914 0.9894 3000120 BCB01_000212 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K15 compound treatment 3847865.052 128000.0 0.14 4063038.298 266000.0 0.28 0.2931 0.9488 3093555 BCB01_000213 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K16 compound treatment 4075247.863 355000.0 0.38 3928302.326 131000.0 0.14 0.3684 0.9025 3093556 BCB01_000214 COc1ccc(C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K17 compound treatment 3830126.016 110000.0 0.12 3782616.541 -14700.0 -0.02 0.0734 0.6116 3000122 BCB01_000215 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K18 compound treatment 4017509.804 297000.0 0.32 4184724.638 387000.0 0.4 0.5126 0.9939 3093557 BCB01_000216 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K19 compound treatment 3573632.302 -147000.0 -0.16 3577659.176 -220000.0 -0.23 -0.2739 -0.9844 3000123 BCB01_000217 OC(C#Cc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K20 compound treatment 3646464.602 -73900.0 -0.08 3719328.125 -77900.0 -0.08 -0.1139 -1.0 3093558 BCB01_000218 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(C2C1=O)N(c5ccccc5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K21 compound treatment 3647665.179 -72700.0 -0.08 3744866.667 -52400.0 -0.05 -0.0942 -0.9837 3093559 BCB01_000219 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K22 compound treatment 4136126.923 416000.0 0.45 4310623.967 513000.0 0.53 0.6961 0.9965 3000124 BCB01_000220 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K23 mock treatment 4088083.333 368000.0 0.4 4195615.686 398000.0 0.41 0.5747 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 K24 mock treatment 3574111.554 -146000.0 -0.16 3759295.775 -38000.0 -0.04 -0.14 -0.857 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L01 mock treatment 4438438.914 718000.0 0.78 4495380.734 698000.0 0.73 1.0636 0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L02 mock treatment 5175160.87 1450000.0 1.58 4750191.489 953000.0 0.99 1.8158 0.9749 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L03 compound treatment 3686586.364 -33800.0 -0.04 4009580.311 212000.0 0.22 0.1302 0.5818 3093560 BCB01_000221 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L04 compound treatment 5018599.206 1300000.0 1.41 4739850.98 943000.0 0.98 1.6881 0.9843 3093561 BCB01_000222 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L05 compound treatment 4707778.761 987000.0 1.07 4585613.9 788000.0 0.82 1.3365 0.9913 3000127 BCB01_000223 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L06 compound treatment 4882102.564 1160000.0 1.26 4901046.875 1100000.0 1.15 1.702 0.9989 3093562 BCB01_000224 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L07 compound treatment 4019918.803 300000.0 0.32 4006189.3 209000.0 0.22 0.3832 0.9808 3093563 BCB01_000225 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L08 compound treatment 4859958.955 1140000.0 1.24 4732026.923 935000.0 0.97 1.5607 0.9929 3000128 BCB01_000226 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L09 compound treatment 4512992.126 793000.0 0.86 4372000.0 575000.0 0.6 1.0301 0.9842 3093564 BCB01_000227 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L10 compound treatment 4913784.81 1190000.0 1.29 5082008.333 1280000.0 1.34 1.8592 0.9999 3000129 BCB01_000228 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4c(F)cccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L11 compound treatment 4290331.878 570000.0 0.62 4179654.709 382000.0 0.4 0.718 0.9772 3093565 BCB01_000229 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L12 compound treatment 4641841.004 921000.0 1.0 4715218.868 918000.0 0.95 1.3812 0.9997 3093566 BCB01_000230 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L13 compound treatment 4059939.759 340000.0 0.37 4224984.848 428000.0 0.44 0.5747 0.9956 3000131 BCB01_000231 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L14 compound treatment 4719011.45 999000.0 1.08 4263295.88 466000.0 0.48 1.1082 0.9342 3093567 BCB01_000232 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L15 compound treatment 3456236.052 -264000.0 -0.29 3248716.216 -549000.0 -0.57 -0.6057 -0.9492 3093568 BCB01_000233 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L16 compound treatment 4317604.575 597000.0 0.65 4107007.576 310000.0 0.32 0.6856 0.948 3000133 BCB01_000234 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c(C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L17 compound treatment 4089965.116 370000.0 0.4 3593328.125 -204000.0 -0.21 0.1335 0.2944 3093569 BCB01_000235 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L18 compound treatment 3983159.011 263000.0 0.28 4040510.288 243000.0 0.25 0.3803 0.9982 3000205 BCB01_000236 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L19 compound treatment 3794645.39 74300.0 0.08 4106642.857 309000.0 0.32 0.2843 0.8577 3000206 BCB01_000237 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L20 compound treatment 4218525.547 498000.0 0.54 4485223.176 688000.0 0.72 0.8876 0.9904 3000207 BCB01_000238 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L21 compound treatment 3608559.322 -112000.0 -0.12 3717459.016 -79800.0 -0.08 -0.1444 -0.9829 3000208 BCB01_000239 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L22 compound treatment 3995251.799 275000.0 0.3 3821888.889 24600.0 0.03 0.2289 0.765 3093570 BCB01_000240 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L23 mock treatment 3754261.364 33900.0 0.04 3996604.839 199000.0 0.21 0.1725 0.8198 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 L24 mock treatment 3341641.732 -379000.0 -0.41 3219087.649 -578000.0 -0.6 -0.7153 -0.9828 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M01 mock treatment 3150911.392 -569000.0 -0.62 3210535.865 -587000.0 -0.61 -0.8678 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M02 mock treatment 3558968.75 -161000.0 -0.17 3983125.954 186000.0 0.19 0.0129 0.0494 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M03 compound treatment 3543955.882 -176000.0 -0.19 3861864.486 64600.0 0.07 -0.0878 -0.433 3000209 BCB01_000241 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M04 compound treatment 3669676.471 -50700.0 -0.05 3718696.721 -78600.0 -0.08 -0.0966 -0.9814 3093571 BCB01_000242 C/C=C/C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M05 compound treatment 3338087.273 -382000.0 -0.41 3381254.753 -416000.0 -0.43 -0.5988 -0.9998 3093572 BCB01_000243 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M06 compound treatment 3555486.989 -165000.0 -0.18 3541356.401 -256000.0 -0.27 -0.3145 -0.9813 3000211 BCB01_000244 CC(C)C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M07 compound treatment 2980494.624 -740000.0 -0.8 3008257.813 -789000.0 -0.82 -1.1471 -0.9999 3093573 BCB01_000245 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M08 compound treatment 3553070.896 -167000.0 -0.18 3572415.771 -225000.0 -0.23 -0.2935 -0.9921 3093574 BCB01_000246 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M09 compound treatment 3419160.535 -301000.0 -0.33 3660566.372 -137000.0 -0.14 -0.3314 -0.9305 3000213 BCB01_000247 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M10 compound treatment 3450572.65 -270000.0 -0.29 3285856.0 -511000.0 -0.53 -0.5827 -0.9604 3093575 BCB01_000248 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M11 compound treatment 3245690.476 -475000.0 -0.51 3336420.833 -461000.0 -0.48 -0.7026 -0.9994 3000215 BCB01_000249 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M12 compound treatment 3361340.741 -359000.0 -0.39 3267446.367 -530000.0 -0.55 -0.6647 -0.9856 3093576 BCB01_000250 CC(C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M13 compound treatment 3191089.844 -529000.0 -0.57 3444885.463 -352000.0 -0.37 -0.6648 -0.9765 3093646 BCB01_000251 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M14 compound treatment 3541468.635 -179000.0 -0.19 3468197.133 -329000.0 -0.34 -0.379 -0.9639 3000219 BCB01_000252 CN1C(=O)C2C=CC(C(O)c3cccs3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M15 compound treatment 3311191.057 -409000.0 -0.44 3535758.621 -262000.0 -0.27 -0.5059 -0.9724 3093647 BCB01_000253 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M16 compound treatment 3212748.387 -508000.0 -0.55 3364273.438 -433000.0 -0.45 -0.7074 -0.995 3000221 BCB01_000254 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M17 compound treatment 3462060.071 -258000.0 -0.28 3413490.196 -384000.0 -0.4 -0.4801 -0.985 3093648 BCB01_000255 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M18 compound treatment 3084961.207 -635000.0 -0.69 3020351.464 -777000.0 -0.81 -1.0582 -0.9969 3093649 BCB01_000256 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M19 compound treatment 3098774.306 -622000.0 -0.67 3106268.908 -691000.0 -0.72 -0.9844 -0.9995 3000223 BCB01_000257 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M20 compound treatment 3150376.712 -570000.0 -0.62 3289727.273 -508000.0 -0.53 -0.81 -0.9969 3093650 BCB01_000258 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M21 compound treatment 2769063.91 -951000.0 -1.03 2595235.043 -1200000.0 -1.25 -1.6128 -0.9955 3093651 BCB01_000259 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M22 compound treatment 3221119.691 -499000.0 -0.54 3331550.0 -466000.0 -0.48 -0.7251 -0.9984 3000225 BCB01_000260 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M23 mock treatment 3195597.656 -525000.0 -0.57 3643684.783 -154000.0 -0.16 -0.5152 -0.8718 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 M24 mock treatment 3149395.745 -571000.0 -0.62 2893781.955 -903000.0 -0.94 -1.1018 -0.9796 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N01 mock treatment 3704619.266 -15700.0 -0.02 4221227.679 424000.0 0.44 0.2995 0.6792 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N02 mock treatment 4818103.734 1100000.0 1.19 4559177.273 762000.0 0.79 1.4016 0.9804 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N03 compound treatment 3964645.455 244000.0 0.26 3504720.588 -293000.0 -0.3 -0.0277 -0.0687 3093652 BCB01_000261 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N04 compound treatment 4853407.563 1130000.0 1.23 4548260.87 751000.0 0.78 1.4207 0.976 3093653 BCB01_000262 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N05 compound treatment 3595658.436 -125000.0 -0.14 3891653.846 94400.0 0.1 -0.0262 -0.157 3000227 BCB01_000263 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N06 compound treatment 4374265.217 654000.0 0.71 4453991.667 657000.0 0.68 0.984 0.9998 3093654 BCB01_000264 C/C=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N07 compound treatment 3871380.734 151000.0 0.16 3858587.94 61300.0 0.06 0.1609 0.9154 3093655 BCB01_000265 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N08 compound treatment 4300031.802 580000.0 0.63 4187956.71 391000.0 0.41 0.7316 0.9777 3000229 BCB01_000266 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N09 compound treatment 3688763.78 -31600.0 -0.03 4096157.143 299000.0 0.31 0.1955 0.6254 3093656 BCB01_000267 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N10 compound treatment 4318332.075 598000.0 0.65 4530551.402 733000.0 0.76 0.9974 0.9968 3000231 BCB01_000268 CC(C)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N11 compound treatment 4339896.414 620000.0 0.67 4251748.062 454000.0 0.47 0.809 0.9852 3093657 BCB01_000269 CC(C)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N12 compound treatment 4145139.241 425000.0 0.46 4355359.833 558000.0 0.58 0.7359 0.9935 3000297 BCB01_000270 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N13 compound treatment 3989514.184 269000.0 0.29 3746861.66 -50400.0 -0.05 0.1693 0.571 3000298 BCB01_000271 OB(O)c1ccc(cc1)C(O)C2C=CC3CN(C(=O)C3N2Nc4ccc(C#N)cc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N14 compound treatment 4055496.35 335000.0 0.36 4051532.567 254000.0 0.26 0.4438 0.9878 3000299 BCB01_000272 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N15 compound treatment 3977937.037 258000.0 0.28 3784649.402 -12600.0 -0.01 0.1882 0.6731 3093658 BCB01_000273 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N16 compound treatment 3780585.185 60200.0 0.07 3597435.54 -200000.0 -0.21 -0.1007 -0.4625 3093659 BCB01_000274 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N17 compound treatment 3622411.504 -97900.0 -0.11 3806943.775 9670.0 0.01 -0.068 -0.6373 3000301 BCB01_000275 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N18 compound treatment 3752092.437 31700.0 0.03 3747619.403 -49700.0 -0.05 -0.0122 -0.196 3093660 BCB01_000276 CC(C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N19 compound treatment 3721431.734 1080.0 0.0 3726067.873 -71200.0 -0.07 -0.0515 -0.6958 3093661 BCB01_000277 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N20 compound treatment 3686232.877 -34100.0 -0.04 3742054.608 -55200.0 -0.06 -0.0667 -0.9774 3000302 BCB01_000278 CC(CC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C)o4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N21 compound treatment 3217415.929 -503000.0 -0.55 3270800.0 -526000.0 -0.55 -0.7725 -1.0 3093662 BCB01_000279 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N22 compound treatment 3351042.763 -369000.0 -0.4 3361585.551 -436000.0 -0.45 -0.6034 -0.9981 3093663 BCB01_000280 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N23 mock treatment 3268103.448 -452000.0 -0.49 3436884.615 -360000.0 -0.37 -0.6116 -0.9912 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 N24 mock treatment 2882734.44 -838000.0 -0.91 2780888.889 -1020000.0 -1.06 -1.3892 -0.9972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O01 mock treatment 3554853.556 -165000.0 -0.18 3308775.701 -488000.0 -0.51 -0.4859 -0.9023 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O02 mock treatment 3579060.241 -141000.0 -0.15 3708760.0 -88500.0 -0.09 -0.1734 -0.9702 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O03 compound treatment 3757947.154 37600.0 0.04 3806881.857 9610.0 0.01 0.0359 0.8551 3000303 BCB01_000281 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O04 compound treatment 3344578.059 -376000.0 -0.41 3624019.685 -173000.0 -0.18 -0.4154 -0.9326 3093664 BCB01_000282 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O05 compound treatment 3385182.186 -335000.0 -0.36 3276125.0 -521000.0 -0.54 -0.64 -0.9811 3093665 BCB01_000283 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O06 compound treatment 3833338.403 113000.0 0.12 3928564.444 131000.0 0.14 0.1831 0.9986 3000304 BCB01_000284 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O07 compound treatment 3510980.159 -209000.0 -0.23 3854741.935 57500.0 0.06 -0.1183 -0.5039 3093666 BCB01_000285 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O08 compound treatment 3779296.296 58900.0 0.06 3472198.113 -325000.0 -0.34 -0.1937 -0.5634 3093667 BCB01_000286 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)C(=O)C)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O09 compound treatment 3747845.833 27500.0 0.03 4173592.593 376000.0 0.39 0.2977 0.7588 3000307 BCB01_000287 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O10 compound treatment 3736932.642 16600.0 0.02 3556975.61 -240000.0 -0.25 -0.1639 -0.6545 3093736 BCB01_000288 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O11 compound treatment 3687799.145 -32600.0 -0.04 3698946.188 -98300.0 -0.1 -0.0972 -0.8992 3000308 BCB01_000289 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O12 compound treatment 3682139.918 -38200.0 -0.04 3873818.605 76500.0 0.08 0.027 0.3006 3093737 BCB01_000290 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O13 compound treatment 3607374.486 -113000.0 -0.12 3319068.376 -478000.0 -0.5 -0.4381 -0.8558 3093738 BCB01_000291 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O14 compound treatment 3429926.23 -290000.0 -0.31 3826666.667 29400.0 0.03 -0.2011 -0.6355 3000310 BCB01_000292 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O15 compound treatment 3630902.222 -89400.0 -0.1 3601422.414 -196000.0 -0.2 -0.2125 -0.9425 3093739 BCB01_000293 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O16 compound treatment 3493607.287 -227000.0 -0.25 3526769.874 -271000.0 -0.28 -0.3727 -0.9978 3000311 BCB01_000294 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O17 compound treatment 3543312.977 -177000.0 -0.19 3984914.286 188000.0 0.2 0.0022 0.008 3093740 BCB01_000295 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O18 compound treatment 3740682.609 20300.0 0.02 3779707.819 -17600.0 -0.02 0.0027 0.0936 3093741 BCB01_000296 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O19 compound treatment 3707978.417 -12400.0 -0.01 3658066.148 -139000.0 -0.14 -0.1118 -0.7694 3000313 BCB01_000297 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O20 compound treatment 3505186.667 -215000.0 -0.23 3587467.48 -210000.0 -0.22 -0.3192 -0.9994 3093742 BCB01_000298 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O21 compound treatment 3719621.514 -729.0 0.0 3755984.314 -41300.0 -0.04 -0.0309 -0.72 3000315 BCB01_000299 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O22 compound treatment 3380529.915 -340000.0 -0.37 3729260.274 -68000.0 -0.07 -0.3105 -0.8277 3093743 BCB01_000300 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)C(C)C)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O23 mock treatment 3662160.305 -58200.0 -0.06 3798106.383 833.0 0.0 -0.044 -0.6973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 O24 mock treatment 3245372.34 -475000.0 -0.52 3059913.978 -737000.0 -0.77 -0.9061 -0.9813 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P01 mock treatment 3638096.774 -82300.0 -0.09 3509245.37 -288000.0 -0.3 -0.2748 -0.8796 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P02 mock treatment 3841462.882 121000.0 0.13 3856109.589 58800.0 0.06 0.1361 0.9395 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P03 compound treatment 3660822.511 -59500.0 -0.06 3636775.229 -160000.0 -0.17 -0.1636 -0.9146 3000135 BCB01_000301 CC(C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P04 compound treatment 4103483.74 383000.0 0.42 4193700.82 396000.0 0.41 0.5851 1.0 3000137 BCB01_000302 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P05 compound treatment 3431012.5 -289000.0 -0.31 3317089.623 -480000.0 -0.5 -0.5748 -0.975 3000138 BCB01_000303 CC(CC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P06 compound treatment 4044525.926 324000.0 0.35 3923543.21 126000.0 0.13 0.3413 0.9098 3000139 BCB01_000304 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C#N)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P07 compound treatment 3808280.632 87900.0 0.1 3775969.565 -21300.0 -0.02 0.0518 0.5288 3093744 BCB01_000305 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P08 compound treatment 3663574.545 -56800.0 -0.06 3700396.694 -96900.0 -0.1 -0.1147 -0.9721 3000141 BCB01_000306 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc5OCOc5c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P09 compound treatment 3311129.921 -409000.0 -0.44 3301398.34 -496000.0 -0.52 -0.6782 -0.9972 3093745 BCB01_000307 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P10 compound treatment 3633816.667 -86500.0 -0.09 3676066.964 -121000.0 -0.13 -0.1554 -0.9895 3093746 BCB01_000308 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(Br)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P11 compound treatment 2895417.84 -825000.0 -0.89 3015879.808 -781000.0 -0.81 -1.2068 -0.9988 3000143 BCB01_000309 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P12 compound treatment 3511037.594 -209000.0 -0.23 4041318.182 244000.0 0.25 0.0189 0.0555 3093747 BCB01_000310 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P13 compound treatment 2680829.091 -1040000.0 -1.13 2744546.125 -1050000.0 -1.09 -1.5707 -0.9999 3093748 BCB01_000311 CC(=CCC/C=C(\C)/C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P14 compound treatment 3379186.851 -341000.0 -0.37 3622426.23 -175000.0 -0.18 -0.3901 -0.9465 3000145 BCB01_000312 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)/C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P15 compound treatment 2362405.204 -1360000.0 -1.47 2788946.768 -1010000.0 -1.05 -1.7822 -0.9861 3093749 BCB01_000313 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P16 compound treatment 3281192.029 -439000.0 -0.48 3353834.043 -443000.0 -0.46 -0.6626 -0.9999 3093750 BCB01_000314 OCC(O)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P17 compound treatment 1237456.14 -2480000.0 -2.69 1147803.571 -2650000.0 -2.75 -3.8509 -0.9999 3000147 BCB01_000315 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(I)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P18 compound treatment 3523098.425 -197000.0 -0.21 3437383.721 -360000.0 -0.37 -0.4157 -0.9648 3093751 BCB01_000316 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P19 compound treatment 2613407.801 -1110000.0 -1.2 2557923.841 -1240000.0 -1.29 -1.7596 -0.9994 3093752 BCB01_000317 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P20 compound treatment 3344789.668 -376000.0 -0.41 3367551.471 -430000.0 -0.45 -0.6038 -0.9989 3000149 BCB01_000318 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P21 compound treatment 2598940.625 -1120000.0 -1.22 2830958.333 -966000.0 -1.0 -1.57 -0.9955 3093752 BCB01_000319 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P22 compound treatment 3311239.286 -409000.0 -0.44 3540754.647 -257000.0 -0.27 -0.5022 -0.9703 3093753 BCB01_000320 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P23 mock treatment 2998686.62 -722000.0 -0.78 3182937.282 -614000.0 -0.64 -1.0048 -0.9949 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2000 P24 mock treatment 2900312.5 -820000.0 -0.89 2869724.806 -928000.0 -0.96 -1.3104 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A01 compound treatment 3337283.721 -497000.0 -0.54 2994063.725 -656000.0 -0.68 -0.8635 -0.9932 3000745 BCB02_000001 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A02 compound treatment 3930552.174 96100.0 0.1 3611391.111 -39000.0 -0.04 0.045 0.4029 3000746 BCB02_000002 CC(C)OC(=O)C1=CCC(O1)c2cccc(Cl)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A03 compound treatment 3721418.182 -113000.0 -0.12 3718936.893 68600.0 0.07 -0.0363 -0.2557 3000747 BCB02_000003 OC(C1CCCCC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A04 compound treatment 3885315.556 50800.0 0.06 3662800.926 12500.0 0.01 0.0481 0.85 3000748 BCB02_000004 CCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A05 compound treatment 3970589.372 136000.0 0.15 3792520.737 142000.0 0.15 0.2089 1.0 3000749 BCB02_000005 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A06 compound treatment 3504823.276 -330000.0 -0.36 3763433.18 113000.0 0.12 -0.1696 -0.4508 3000750 BCB02_000006 COC(=O)C1=CCC(O1)c2cccc(Cl)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A07 compound treatment 3557963.964 -277000.0 -0.3 3602539.171 -47800.0 -0.05 -0.2471 -0.8132 3093754 BCB02_000007 CCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A08 compound treatment 3250497.778 -584000.0 -0.63 2768453.441 -882000.0 -0.92 -1.0959 -0.9837 2065163 BCB02_000008 CCOC(=O)/C=C/c1ccccc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A09 compound treatment 3177419.608 -657000.0 -0.71 3136824.561 -514000.0 -0.53 -0.8812 -0.9899 3093755 BCB02_000009 CCCCCCCCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A10 compound treatment 3063715.64 -771000.0 -0.84 3072169.231 -578000.0 -0.6 -1.0159 -0.9869 3000752 BCB02_000010 CCOC(=O)/C=C/c1cc(F)ccc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A11 compound treatment 3434852.679 -400000.0 -0.43 3618928.251 -31400.0 -0.03 -0.3295 -0.7582 3093756 BCB02_000011 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A12 compound treatment 3254380.488 -580000.0 -0.63 3522066.667 -128000.0 -0.13 -0.539 -0.8384 3000753 BCB02_000012 CCOC(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A13 compound treatment 3741568.182 -92900.0 -0.1 3414286.307 -236000.0 -0.25 -0.2447 -0.9227 3093757 BCB02_000013 COc1ccc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A14 compound treatment 3480740.426 -354000.0 -0.38 3220087.137 -430000.0 -0.45 -0.5874 -0.9971 3000754 BCB02_000014 CCOC(=O)/C=C/c1cccc(OC)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A15 compound treatment 3373795.238 -461000.0 -0.5 3374124.498 -276000.0 -0.29 -0.5562 -0.9654 3093824 BCB02_000015 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A16 compound treatment 3623149.573 -211000.0 -0.23 3016959.184 -633000.0 -0.66 -0.6275 -0.9002 3000755 BCB02_000016 CCOC(=O)/C=C/c1cccc(C)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A17 mock treatment 3749189.189 -85300.0 -0.09 3176258.537 -474000.0 -0.49 -0.4138 -0.8254 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A18 mock treatment 3532044.118 -302000.0 -0.33 3418960.199 -231000.0 -0.24 -0.4019 -0.9884 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A19 mock treatment 3592380.531 -242000.0 -0.26 3211325.991 -439000.0 -0.46 -0.5083 -0.9655 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A20 mock treatment 3746151.394 -88300.0 -0.1 3130380.753 -520000.0 -0.54 -0.4499 -0.8196 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A21 mock treatment 3671119.469 -163000.0 -0.18 3058907.08 -591000.0 -0.61 -0.5599 -0.8752 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A22 mock treatment 3850173.745 15700.0 0.02 2959779.592 -691000.0 -0.72 -0.4955 -0.6901 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A23 mock treatment 3815069.869 -19400.0 -0.02 3049046.512 -601000.0 -0.62 -0.4568 -0.7305 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 A24 mock treatment 3718750.0 -116000.0 -0.13 2647816.547 -1000000.0 -1.04 -0.8256 -0.7866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B01 compound treatment 3988566.502 154000.0 0.17 4022633.803 372000.0 0.39 0.3918 0.9295 3093825 BCB02_000017 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B02 compound treatment 4057864.865 223000.0 0.24 4547260.465 897000.0 0.93 0.8305 0.8622 3000756 BCB02_000018 CCOC(=O)C1=CCC(N(CCN2CC(=CCC2c3cc4ccccc4[nH]3)C(=O)OCC)C1)c5cc6ccccc6[nH]5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B03 compound treatment 4467147.321 633000.0 0.69 4689466.321 1040000.0 1.08 1.2488 0.976 3093826 BCB02_000019 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B04 compound treatment 3985034.043 151000.0 0.16 4649340.611 999000.0 1.04 0.8497 0.8083 3000757 BCB02_000020 CC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B05 compound treatment 3536076.628 -298000.0 -0.32 4059199.203 409000.0 0.42 0.0717 0.1343 3093827 BCB02_000021 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(s5)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B06 compound treatment 3517140.704 -317000.0 -0.34 3914423.81 264000.0 0.27 -0.0492 -0.1118 3093828 BCB02_000022 Cc1ccc(cc1)[C@@H]2C[C@@H](Sc3ccccc3)[C@@H](CN2S(=O)(=O)c4ccc(C)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B07 compound treatment 3963587.361 129000.0 0.14 4169373.057 519000.0 0.54 0.4805 0.862 3000758 BCB02_000023 CC(C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B08 compound treatment 4067111.57 233000.0 0.25 4425215.311 775000.0 0.81 0.7479 0.8861 3093829 BCB02_000024 Cc1ccc(cc1)C2CC=C(CN2S(=O)(=O)c3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B09 compound treatment 4260020.576 426000.0 0.46 4147788.945 497000.0 0.52 0.6919 0.9984 3000759 BCB02_000025 CC(CC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(C)o5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B10 compound treatment 4011416.988 177000.0 0.19 4069484.716 419000.0 0.44 0.4437 0.9321 3093830 BCB02_000026 Cc1ccc(cc1)S(=O)(=O)N2CC(=CCC2c3ccccc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B11 compound treatment 4157929.961 323000.0 0.35 4495349.754 845000.0 0.88 0.869 0.9189 3093831 BCB02_000027 OC(Cc1ccccc1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B12 compound treatment 3940280.22 106000.0 0.11 3623786.517 -26600.0 -0.03 0.0616 0.522 3000760 BCB02_000028 Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B13 compound treatment 3212669.951 -622000.0 -0.67 2790237.668 -860000.0 -0.89 -1.1089 -0.9903 3093832 BCB02_000029 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B14 compound treatment 3626790.698 -208000.0 -0.23 3967434.343 317000.0 0.33 0.0738 0.1849 3093833 BCB02_000030 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B15 compound treatment 3789486.842 -45000.0 -0.05 3167379.808 -483000.0 -0.5 -0.3895 -0.7722 3000761 BCB02_000031 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B16 compound treatment 4082970.711 248000.0 0.27 3746765.854 96400.0 0.1 0.2614 0.9093 3093834 BCB02_000032 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(C#N)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B17 mock treatment 4215915.423 381000.0 0.41 3951068.548 301000.0 0.31 0.5135 0.9905 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B18 mock treatment 4232366.516 398000.0 0.43 3999728.155 349000.0 0.36 0.5618 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B19 mock treatment 4172190.083 338000.0 0.37 3803645.0 153000.0 0.16 0.3716 0.9305 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B20 mock treatment 4314899.083 480000.0 0.52 4084756.098 434000.0 0.45 0.6876 0.9975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B21 mock treatment 4009737.052 175000.0 0.19 3771755.556 121000.0 0.13 0.2236 0.9802 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B22 mock treatment 3655668.033 -179000.0 -0.19 3401276.995 -249000.0 -0.26 -0.3201 -0.9898 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B23 mock treatment 3714796.38 -120000.0 -0.13 3565118.705 -85200.0 -0.09 -0.1544 -0.9827 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 B24 mock treatment 3578282.258 -256000.0 -0.28 3161553.03 -489000.0 -0.51 -0.5557 -0.9596 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C01 compound treatment 3789745.098 -44700.0 -0.05 3176820.0 -474000.0 -0.49 -0.3823 -0.773 3093835 BCB02_000033 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C02 compound treatment 5101196.507 1270000.0 1.37 3908691.964 258000.0 0.27 1.1611 0.8296 3000762 BCB02_000034 CCOC(=O)/C=C/c1ccccc1OC(=O)C#CC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C03 compound treatment 4537324.561 703000.0 0.76 3884351.931 234000.0 0.24 0.7109 0.8886 3000763 BCB02_000035 Cc1ccccc1C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C04 compound treatment 4257605.809 423000.0 0.46 3853430.622 203000.0 0.21 0.4737 0.9379 3093836 BCB02_000036 CCOC(=O)[C@H]1CC=C2[C@@H]1c3ccccc3OC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C05 compound treatment 4688939.698 854000.0 0.93 3947274.419 297000.0 0.31 0.8733 0.8943 3093837 BCB02_000037 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C06 compound treatment 4411380.734 577000.0 0.63 3662389.381 12000.0 0.01 0.4512 0.7211 3000764 BCB02_000038 CCOC(=O)[C@H]1CC=C2[C@@H]1c3cc(Br)ccc3OC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C07 compound treatment 4100502.304 266000.0 0.29 3228286.458 -422000.0 -0.44 -0.1062 -0.2024 3093838 BCB02_000039 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C08 compound treatment 3903712.5 69200.0 0.08 3322238.494 -328000.0 -0.34 -0.1881 -0.5386 3000765 BCB02_000040 CCOC(=O)/C=C/c1cc(Br)ccc1OC(=O)C#CC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C09 compound treatment 4315550.218 481000.0 0.52 4141149.533 491000.0 0.51 0.7296 0.9999 3093839 BCB02_000041 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cccc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C10 compound treatment 3573523.404 -261000.0 -0.28 3237096.939 -413000.0 -0.43 -0.5038 -0.9795 3000766 BCB02_000042 O=c1oc2ccccc2cc1C#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C11 compound treatment 4498700.935 664000.0 0.72 3755226.601 105000.0 0.11 0.5863 0.805 3093840 BCB02_000043 OC(C1CCC=CC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C12 compound treatment 4161121.951 327000.0 0.35 4161589.623 511000.0 0.53 0.6262 0.9806 3000767 BCB02_000044 Cn1c2C3NC(C(=O)c2c4ccccc14)C(C)(C=C3)C(=O)OCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C13 compound treatment 4681206.14 847000.0 0.92 3732511.211 82200.0 0.09 0.7096 0.7696 3093841 BCB02_000045 CC(=O)n1cc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C14 compound treatment 4238680.672 404000.0 0.44 2908077.869 -742000.0 -0.77 -0.2356 -0.2656 3000768 BCB02_000046 [O-][N+](=O)c1ccccc1S(=O)(=O)N2C3CC=C(C2C(=O)c4c3[nH]c5ccccc45)C(=O)OCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C15 compound treatment 4775832.579 941000.0 1.02 3825824.645 175000.0 0.18 0.8507 0.8205 3093842 BCB02_000047 CCCCC(CC)C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C16 compound treatment 4736676.23 902000.0 0.98 3804495.798 154000.0 0.16 0.805 0.8121 3093843 BCB02_000048 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C17 mock treatment 4366190.698 532000.0 0.58 3707256.831 56900.0 0.06 0.4495 0.7756 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C18 mock treatment 4758334.783 924000.0 1.0 3716601.896 66300.0 0.07 0.757 0.7539 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C19 mock treatment 4531296.137 697000.0 0.76 3882820.628 232000.0 0.24 0.7051 0.8889 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C20 mock treatment 4182602.151 348000.0 0.38 3979764.423 329000.0 0.34 0.509 0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C21 mock treatment 4466837.398 632000.0 0.69 3703562.5 53200.0 0.06 0.5239 0.7617 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C22 mock treatment 4811903.67 977000.0 1.06 3832033.816 182000.0 0.19 0.8829 0.8202 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C23 mock treatment 4363980.545 530000.0 0.57 3527000.0 -123000.0 -0.13 0.3153 0.536 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 C24 mock treatment 4243343.096 409000.0 0.44 2880877.863 -769000.0 -0.8 -0.2521 -0.2756 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D01 compound treatment 4497744.493 663000.0 0.72 3859885.417 210000.0 0.22 0.6625 0.8817 3000769 BCB02_000049 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D02 compound treatment 4386750.0 552000.0 0.6 3927146.919 277000.0 0.29 0.6269 0.9436 3093844 BCB02_000050 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D03 compound treatment 3807169.291 -27300.0 -0.03 3315532.11 -335000.0 -0.35 -0.267 -0.7645 3093845 BCB02_000051 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D04 compound treatment 4843415.02 1010000.0 1.09 4297891.509 648000.0 0.67 1.2495 0.9728 3000770 BCB02_000052 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2c3ccccc3)Sc4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D05 compound treatment 3514910.256 -320000.0 -0.35 3374495.283 -276000.0 -0.29 -0.4478 -0.9956 3093846 BCB02_000053 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c(C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D06 compound treatment 4027066.39 193000.0 0.21 3445180.18 -205000.0 -0.21 -0.0031 -0.0105 3000771 BCB02_000054 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D07 compound treatment 4081907.173 247000.0 0.27 3588771.689 -61600.0 -0.06 0.1444 0.5237 3092586 BCB02_000055 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D08 compound treatment 4350970.833 516000.0 0.56 3442730.233 -208000.0 -0.22 0.2434 0.4056 3092495 BCB02_000056 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D09 compound treatment 3472751.092 -362000.0 -0.39 3025584.362 -625000.0 -0.65 -0.7365 -0.9708 3000772 BCB02_000057 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D10 compound treatment 3875583.673 41100.0 0.04 3842478.814 192000.0 0.2 0.1727 0.8442 3092496 BCB02_000058 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D11 compound treatment 3912645.161 78200.0 0.08 3272073.892 -378000.0 -0.39 -0.2181 -0.5422 3092497 BCB02_000059 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D12 compound treatment 3724487.5 -110000.0 -0.12 3470356.522 -180000.0 -0.19 -0.2166 -0.9764 3000773 BCB02_000060 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D13 compound treatment 3661061.475 -173000.0 -0.19 3408919.048 -241000.0 -0.25 -0.3104 -0.9899 3092498 BCB02_000061 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D14 compound treatment 3186940.141 -648000.0 -0.7 3084519.685 -566000.0 -0.59 -0.9123 -0.9961 3000774 BCB02_000062 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D15 compound treatment 3270217.593 -564000.0 -0.61 2596618.026 -1050000.0 -1.1 -1.2071 -0.9622 3092499 BCB02_000063 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)/C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D16 compound treatment 3824679.537 -9790.0 -0.01 3136480.0 -514000.0 -0.53 -0.3852 -0.721 3000775 BCB02_000064 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D17 mock treatment 3987641.221 153000.0 0.17 3617697.959 -32600.0 -0.03 0.0934 0.5512 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D18 mock treatment 4077695.652 243000.0 0.26 3415168.889 -235000.0 -0.24 0.0136 0.0379 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D19 mock treatment 3812425.62 -22000.0 -0.02 3373575.893 -277000.0 -0.29 -0.2203 -0.7632 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D20 mock treatment 3985826.087 151000.0 0.16 3545266.917 -105000.0 -0.11 0.0388 0.1969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D21 mock treatment 4034505.882 200000.0 0.22 3306893.238 -343000.0 -0.36 -0.0991 -0.2372 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D22 mock treatment 3689170.569 -145000.0 -0.16 3182991.416 -467000.0 -0.49 -0.4549 -0.8908 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D23 mock treatment 4365810.811 531000.0 0.58 3196075.63 -454000.0 -0.47 0.0735 0.0987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 D24 mock treatment 4009715.385 175000.0 0.19 2798107.407 -852000.0 -0.89 -0.492 -0.5431 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E01 compound treatment 3945583.333 111000.0 0.12 3879696.262 229000.0 0.24 0.2538 0.95 3092500 BCB02_000065 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E02 compound treatment 5085097.674 1250000.0 1.36 4707091.837 1060000.0 1.1 1.7355 0.9945 3000776 BCB02_000066 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(CC)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E03 compound treatment 4662553.488 828000.0 0.9 4054532.663 404000.0 0.42 0.9319 0.9401 3000847 BCB02_000067 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E04 compound treatment 5247954.198 1410000.0 1.53 4344456.79 694000.0 0.72 1.5939 0.9409 3000848 BCB02_000068 CCOC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(CC)C2=O)Sc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E05 compound treatment 4907058.824 1070000.0 1.16 4041543.269 391000.0 0.41 1.1099 0.9009 3000849 BCB02_000069 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(Br)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E06 compound treatment 4405102.459 571000.0 0.62 4552175.439 902000.0 0.94 1.1003 0.9797 3000850 BCB02_000070 OC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E07 compound treatment 3542919.643 -292000.0 -0.32 2990104.348 -660000.0 -0.69 -0.7088 -0.9381 3000851 BCB02_000071 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E08 compound treatment 4373112.403 539000.0 0.58 3856507.874 206000.0 0.21 0.5645 0.9074 3092501 BCB02_000072 OC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3)Sc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E09 compound treatment 3665849.315 -169000.0 -0.18 2950599.01 -700000.0 -0.73 -0.6436 -0.8582 3000852 BCB02_000073 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E10 compound treatment 4168837.209 334000.0 0.36 3511582.979 -139000.0 -0.14 0.1544 0.3956 3092502 BCB02_000074 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E11 compound treatment 3911836.207 77400.0 0.08 3621610.619 -28700.0 -0.03 0.0382 0.4289 3092503 BCB02_000075 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E12 compound treatment 4317174.107 483000.0 0.52 3826381.395 176000.0 0.18 0.4995 0.9008 3000853 BCB02_000076 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E13 compound treatment 4136179.372 302000.0 0.33 3440684.729 -210000.0 -0.22 0.0772 0.1965 3092504 BCB02_000077 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E14 compound treatment 4209679.245 375000.0 0.41 4126671.362 476000.0 0.5 0.6378 0.9952 3000854 BCB02_000078 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E15 compound treatment 3865995.851 31500.0 0.03 3309564.103 -341000.0 -0.35 -0.2263 -0.6359 3092505 BCB02_000079 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E16 compound treatment 4359720.339 525000.0 0.57 3699260.504 48900.0 0.05 0.4387 0.7672 3000855 BCB02_000080 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E17 mock treatment 4867459.916 1030000.0 1.12 3795595.96 145000.0 0.15 0.8987 0.7952 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E18 mock treatment 4991190.661 1160000.0 1.25 4353229.885 703000.0 0.73 1.4034 0.9669 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E19 mock treatment 4488131.818 654000.0 0.71 3438763.158 -212000.0 -0.22 0.3456 0.4658 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E20 mock treatment 4797291.188 963000.0 1.04 3890819.512 240000.0 0.25 0.9149 0.8523 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E21 mock treatment 4936214.912 1100000.0 1.19 4039197.309 389000.0 0.4 1.1305 0.8964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E22 mock treatment 4926984.0 1090000.0 1.18 4121033.981 471000.0 0.49 1.1836 0.9235 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E23 mock treatment 4619301.158 785000.0 0.85 3555547.325 -94800.0 -0.1 0.532 0.6211 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 E24 mock treatment 4309594.203 475000.0 0.52 3474759.336 -176000.0 -0.18 0.2352 0.4304 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F01 compound treatment 3246426.009 -588000.0 -0.64 3238887.805 -411000.0 -0.43 -0.7533 -0.9811 3092506 BCB02_000081 OC(COCc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F02 compound treatment 4124132.159 290000.0 0.31 4327926.702 678000.0 0.7 0.7201 0.9338 3092507 BCB02_000082 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F03 compound treatment 3364598.326 -470000.0 -0.51 3781943.231 132000.0 0.14 -0.2635 -0.4996 3000856 BCB02_000083 COc1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F04 compound treatment 3627060.15 -207000.0 -0.22 4989132.701 1340000.0 1.39 0.825 0.5852 3092508 BCB02_000084 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F05 compound treatment 4307347.458 473000.0 0.51 4708470.833 1060000.0 1.1 1.1402 0.9397 3092509 BCB02_000085 CCCCC(O)C1C=CC2C(N1Nc3ccc(OC)cc3)C(=O)N(C4CCCCC4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F06 compound treatment 3887777.778 53300.0 0.06 4279502.11 629000.0 0.65 0.5033 0.7666 3000857 BCB02_000086 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F07 compound treatment 4195629.464 361000.0 0.39 4278401.914 628000.0 0.65 0.7385 0.9701 3092510 BCB02_000087 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F08 compound treatment 4199754.167 365000.0 0.4 3936489.13 286000.0 0.3 0.4904 0.99 3000858 BCB02_000088 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(Cl)c(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F09 compound treatment 4594801.556 760000.0 0.82 4084759.091 434000.0 0.45 0.9022 0.9599 3092511 BCB02_000089 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F10 compound treatment 3886816.092 52300.0 0.06 3767854.772 118000.0 0.12 0.1265 0.9392 3000859 BCB02_000090 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F11 compound treatment 3981623.431 147000.0 0.16 3470121.951 -180000.0 -0.19 -0.0196 -0.0798 3092512 BCB02_000091 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F12 compound treatment 3941094.697 107000.0 0.12 4100762.712 450000.0 0.47 0.4128 0.856 3092513 BCB02_000092 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F13 compound treatment 3736448.399 -98000.0 -0.11 3622921.659 -27400.0 -0.03 -0.0953 -0.8661 3000860 BCB02_000093 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F14 compound treatment 3724568.465 -110000.0 -0.12 3336644.518 -314000.0 -0.33 -0.3148 -0.9069 3092514 BCB02_000094 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F15 compound treatment 4323439.216 489000.0 0.53 3806452.915 156000.0 0.16 0.4896 0.8831 3092515 BCB02_000095 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F16 compound treatment 3945649.194 111000.0 0.12 3418922.449 -231000.0 -0.24 -0.0849 -0.3154 3000861 BCB02_000096 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(F)(F)F)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F17 mock treatment 4411387.931 577000.0 0.63 3724409.692 74100.0 0.08 0.4968 0.7882 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F18 mock treatment 4327328.671 493000.0 0.53 3942150.579 292000.0 0.3 0.5923 0.964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F19 mock treatment 4109537.815 275000.0 0.3 3838657.48 188000.0 0.2 0.3493 0.9791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F20 mock treatment 4293991.77 460000.0 0.5 3610353.383 -40000.0 -0.04 0.3229 0.6459 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F21 mock treatment 4086523.466 252000.0 0.27 3545259.136 -105000.0 -0.11 0.116 0.3942 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F22 mock treatment 4280528.226 446000.0 0.48 3362400.0 -288000.0 -0.3 0.1304 0.2292 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F23 mock treatment 4287519.531 453000.0 0.49 3594239.316 -56100.0 -0.06 0.3061 0.6188 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 F24 mock treatment 3823657.407 -10800.0 -0.01 3270423.077 -380000.0 -0.39 -0.2875 -0.7278 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G01 compound treatment 4019075.0 185000.0 0.2 3844988.235 195000.0 0.2 0.2846 1.0 3092516 BCB02_000097 CC(C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G02 compound treatment 4968328.638 1130000.0 1.23 4346977.901 697000.0 0.72 1.3813 0.9681 3000862 BCB02_000098 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2C)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G03 compound treatment 2575191.257 -1260000.0 -1.37 2079513.514 -1570000.0 -1.63 -2.12 -0.996 3092587 BCB02_000099 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G04 compound treatment 4701300.0 867000.0 0.94 4398966.346 749000.0 0.78 1.2148 0.9956 3000863 BCB02_000100 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)C[Si](C)(C)C)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G05 compound treatment 3616470.833 -218000.0 -0.24 3626293.839 -24100.0 -0.03 -0.1848 -0.7776 3092588 BCB02_000101 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G06 compound treatment 3787703.704 -46800.0 -0.05 3946752.809 296000.0 0.31 0.182 0.5829 3092589 BCB02_000102 CCOC(=O)C1=CC[C@H](N([C@H]1/C=C/c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G07 compound treatment 2823328.467 -1010000.0 -1.1 3133123.153 -517000.0 -0.54 -1.1554 -0.9462 3000864 BCB02_000103 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G08 compound treatment 3762072.243 -72400.0 -0.08 3417848.624 -232000.0 -0.24 -0.2264 -0.891 3092590 BCB02_000104 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4cccc(Cl)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G09 compound treatment 3277203.62 -557000.0 -0.6 2948738.372 -702000.0 -0.73 -0.9429 -0.9956 3092591 BCB02_000105 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G10 compound treatment 3614695.238 -220000.0 -0.24 3343766.129 -307000.0 -0.32 -0.3938 -0.9897 3000865 BCB02_000106 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2I)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G11 compound treatment 3859290.909 24800.0 0.03 4100196.581 450000.0 0.47 0.3497 0.7466 3092592 BCB02_000107 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccn5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G12 compound treatment 3597185.185 -237000.0 -0.26 3541582.569 -109000.0 -0.11 -0.2619 -0.9318 3000866 BCB02_000108 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G13 compound treatment 3767986.726 -66500.0 -0.07 3352837.696 -298000.0 -0.31 -0.2696 -0.8492 3092593 BCB02_000109 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G14 compound treatment 3765106.977 -69400.0 -0.08 3237891.775 -412000.0 -0.43 -0.3563 -0.8187 3000867 BCB02_000110 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G15 compound treatment 1595750.0 -2240000.0 -2.43 1561351.852 -2090000.0 -2.17 -3.2518 -0.9985 3092594 BCB02_000111 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G16 compound treatment 3472517.51 -362000.0 -0.39 2983503.846 -667000.0 -0.69 -0.7676 -0.9637 3092595 BCB02_000112 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(SC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCc5ccccc5)c(OC)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G17 mock treatment 4196289.063 362000.0 0.39 3838822.511 188000.0 0.2 0.4159 0.9485 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G18 mock treatment 4257188.612 423000.0 0.46 3803017.794 153000.0 0.16 0.4363 0.8995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G19 mock treatment 4146639.175 312000.0 0.34 3641039.711 -9310.0 -0.01 0.2325 0.6866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G20 mock treatment 4153988.462 320000.0 0.35 3606519.685 -43800.0 -0.05 0.2128 0.6089 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G21 mock treatment 3746982.533 -87500.0 -0.09 3593793.578 -56600.0 -0.06 -0.1086 -0.9735 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G22 mock treatment 4237410.359 403000.0 0.44 3504220.096 -146000.0 -0.15 0.2015 0.4357 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G23 mock treatment 4203070.539 369000.0 0.4 3807682.403 157000.0 0.16 0.3982 0.9222 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 G24 mock treatment 3712381.166 -122000.0 -0.13 3708268.182 57900.0 0.06 -0.051 -0.3509 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H01 compound treatment 4816461.187 982000.0 1.06 4239600.0 589000.0 0.61 1.186 0.9655 3000868 BCB02_000113 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)/C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H02 compound treatment 4096533.04 262000.0 0.28 4302067.485 652000.0 0.68 0.6799 0.9256 3092596 BCB02_000114 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(C)C)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H03 compound treatment 4180199.052 346000.0 0.37 4586268.868 936000.0 0.97 0.9529 0.9141 3092597 BCB02_000115 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H04 compound treatment 4302253.394 468000.0 0.51 4511526.087 861000.0 0.9 0.9916 0.9638 3000869 BCB02_000116 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccccc2F)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H05 compound treatment 3737703.704 -96800.0 -0.1 4349475.113 699000.0 0.73 0.4397 0.5988 3092598 BCB02_000117 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H06 compound treatment 4050641.148 216000.0 0.23 4456728.448 806000.0 0.84 0.7584 0.8714 3000870 BCB02_000118 CCOC(=O)C1=C[C@@H](CC)N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H07 compound treatment 4427777.311 593000.0 0.64 4525662.281 875000.0 0.91 1.0982 0.9856 3000871 BCB02_000119 O=c1cccc(o1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H08 compound treatment 3861178.862 26700.0 0.03 4252067.568 602000.0 0.63 0.4627 0.7391 3092599 BCB02_000120 CCOC(=O)C1=CCN(C1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H09 compound treatment 4349036.866 515000.0 0.56 4212334.906 562000.0 0.58 0.8076 0.9997 3000872 BCB02_000121 COc1cccc(c1)c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H10 compound treatment 3507452.586 -327000.0 -0.35 3850958.848 201000.0 0.21 -0.1033 -0.2511 3092600 BCB02_000122 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)OCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H11 compound treatment 4386168.582 552000.0 0.6 4500996.169 851000.0 0.88 1.0482 0.9819 1984103 BCB02_000123 Cc1ccc(cc1)c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H12 compound treatment 3248684.444 -586000.0 -0.64 3700020.761 49700.0 0.05 -0.4126 -0.6475 3092601 BCB02_000124 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H13 compound treatment 4106411.565 272000.0 0.29 4102023.346 452000.0 0.47 0.5405 0.9749 3000873 BCB02_000125 Clc1cccc(c1)c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H14 compound treatment 3665769.531 -169000.0 -0.18 3741103.175 90800.0 0.09 -0.0626 -0.3044 3000874 BCB02_000126 Cc1ccc(cc1)[C@@H]2N(CC=C2C(=O)O)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H15 compound treatment 4096300.366 262000.0 0.28 3905769.231 255000.0 0.27 0.3885 0.9994 3000875 BCB02_000127 Clc1ccccc1c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H16 compound treatment 3915682.008 81200.0 0.09 3518140.969 -132000.0 -0.14 -0.0349 -0.2139 3092602 BCB02_000128 C[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H17 mock treatment 4042713.287 208000.0 0.23 4297738.462 647000.0 0.67 0.6355 0.8953 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H18 mock treatment 3621447.273 -213000.0 -0.23 3482927.602 -167000.0 -0.17 -0.2864 -0.9903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H19 mock treatment 3685715.302 -149000.0 -0.16 3987896.947 338000.0 0.35 0.134 0.3471 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H20 mock treatment 3666409.894 -168000.0 -0.18 3925983.607 276000.0 0.29 0.0737 0.2172 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H21 mock treatment 4055483.74 221000.0 0.24 3514827.839 -136000.0 -0.14 0.0698 0.2513 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H22 mock treatment 3753693.727 -80800.0 -0.09 3537203.636 -113000.0 -0.12 -0.1451 -0.9895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H23 mock treatment 4019199.203 185000.0 0.2 4194819.005 544000.0 0.57 0.5418 0.9025 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 H24 mock treatment 3857258.772 22800.0 0.02 3995747.826 345000.0 0.36 0.2713 0.754 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I01 compound treatment 4375229.268 541000.0 0.59 4740438.424 1090000.0 1.13 1.2158 0.953 3092603 BCB02_000129 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I02 compound treatment 4702056.075 868000.0 0.94 4583004.902 933000.0 0.97 1.3506 0.9999 3000947 BCB02_000130 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I03 compound treatment 3434282.297 -400000.0 -0.43 3389532.407 -261000.0 -0.27 -0.4985 -0.9744 3000948 BCB02_000131 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I04 compound treatment 3541007.782 -293000.0 -0.32 4418477.273 768000.0 0.8 0.3396 0.3951 3000949 BCB02_000132 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4cccc(Br)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I05 compound treatment 3601518.349 -233000.0 -0.25 3723587.629 73200.0 0.08 -0.1248 -0.473 3000950 BCB02_000133 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I06 compound treatment 4201009.524 367000.0 0.4 3450604.061 -200000.0 -0.21 0.1342 0.2993 3000951 BCB02_000134 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I07 compound treatment 3941136.15 107000.0 0.12 4051037.815 401000.0 0.42 0.3763 0.8705 3092604 BCB02_000135 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I08 compound treatment 3968081.633 134000.0 0.14 4186362.069 536000.0 0.56 0.4964 0.8623 3000952 BCB02_000136 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I09 compound treatment 4019437.008 185000.0 0.2 4036373.391 386000.0 0.4 0.4255 0.9486 3092605 BCB02_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I10 compound treatment 3903263.158 68800.0 0.07 3874580.292 224000.0 0.23 0.2175 0.889 3092606 BCB02_000138 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(F)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I11 compound treatment 3973193.798 139000.0 0.15 4024784.861 374000.0 0.39 0.3816 0.9145 3000953 BCB02_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I12 compound treatment 3586889.344 -248000.0 -0.27 3800354.949 150000.0 0.16 -0.0796 -0.2563 3092607 BCB02_000140 CCOC(=O)[C@@H]1N([C@@H](CC=C1C(=O)OCC)c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I13 compound treatment 3956012.397 122000.0 0.13 4051064.982 401000.0 0.42 0.3877 0.8875 3092678 BCB02_000141 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I14 compound treatment 3720182.482 -114000.0 -0.12 3412826.446 -238000.0 -0.25 -0.2622 -0.9492 3000954 BCB02_000142 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I15 compound treatment 3972519.298 138000.0 0.15 4077830.579 427000.0 0.44 0.42 0.8958 3092679 BCB02_000143 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I16 compound treatment 3357811.189 -477000.0 -0.52 3260899.642 -389000.0 -0.4 -0.6517 -0.9927 3000955 BCB02_000144 CCOC(=O)C1=CC[C@H](N([C@H]1C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I17 mock treatment 3927841.004 93400.0 0.1 4091107.266 441000.0 0.46 0.3955 0.843 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I18 mock treatment 3911361.624 76900.0 0.08 3911483.471 261000.0 0.27 0.2509 0.8836 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I19 mock treatment 3911480.565 77000.0 0.08 4116667.954 466000.0 0.48 0.4018 0.8169 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I20 mock treatment 3957202.247 123000.0 0.13 4118492.063 468000.0 0.49 0.4382 0.8686 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I21 mock treatment 4147853.448 313000.0 0.34 3662128.472 11800.0 0.01 0.2489 0.7321 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I22 mock treatment 4342815.126 508000.0 0.55 4409737.288 759000.0 0.79 0.9479 0.9846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I23 mock treatment 4416620.253 582000.0 0.63 3873008.299 223000.0 0.23 0.61 0.9073 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 I24 mock treatment 3968497.854 134000.0 0.15 3687707.763 37400.0 0.04 0.1302 0.8657 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J01 compound treatment 3932307.292 97800.0 0.11 4377883.041 728000.0 0.76 0.6097 0.7985 3000956 BCB02_000145 CCCc1cccc(=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J02 compound treatment 4279855.814 445000.0 0.48 4985903.67 1340000.0 1.39 1.3231 0.9002 3092680 BCB02_000146 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J03 compound treatment 4476929.245 642000.0 0.7 5358773.756 1710000.0 1.78 1.7482 0.9165 3000957 BCB02_000147 Fc1ccc(cc1)c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J04 compound treatment 4432510.549 598000.0 0.65 4848337.778 1200000.0 1.25 1.339 0.9538 3092681 BCB02_000148 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J05 compound treatment 4868446.903 1030000.0 1.12 5115385.417 1470000.0 1.52 1.8695 0.9887 3000958 BCB02_000149 O=c1cccc(o1)c2ccc(C#N)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J06 compound treatment 4263114.625 429000.0 0.46 5013595.238 1360000.0 1.42 1.3306 0.8923 3000959 BCB02_000150 CC(C)[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J07 compound treatment 4727791.304 893000.0 0.97 4750103.774 1100000.0 1.14 1.4932 0.9966 3092682 BCB02_000151 FC(F)(F)c1ccc(cc1)c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J08 compound treatment 3741125.984 -93300.0 -0.1 4246165.829 596000.0 0.62 0.3663 0.5838 3092683 BCB02_000152 Cc1ccc(cc1)[C@@H]2N([C@@H](C=C2C(=O)O)C(C)(C)C)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J09 compound treatment 4454463.71 620000.0 0.67 4919351.695 1270000.0 1.32 1.408 0.9511 3000960 BCB02_000153 FC(F)(F)c1ccccc1c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J10 compound treatment 4061183.036 227000.0 0.25 4261678.571 611000.0 0.64 0.6231 0.9146 3092684 BCB02_000154 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J11 compound treatment 3568813.492 -266000.0 -0.29 4107130.112 457000.0 0.47 0.132 0.2378 3000961 BCB02_000155 O=c1cccc(o1)c2ccc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J12 compound treatment 4078950.53 244000.0 0.27 3756690.852 106000.0 0.11 0.2656 0.9248 3000962 BCB02_000156 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J13 compound treatment 4204015.267 370000.0 0.4 4317825.758 667000.0 0.69 0.7739 0.966 3092685 BCB02_000157 O=c1cccc(o1)c2ccco2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J14 compound treatment 4066065.637 232000.0 0.25 4016561.753 366000.0 0.38 0.4467 0.9796 3092686 BCB02_000158 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J15 compound treatment 4143153.846 309000.0 0.33 4196015.326 546000.0 0.57 0.6377 0.9683 3000963 BCB02_000159 O=c1cccc(CCc2ccccc2)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J16 compound treatment 3636226.619 -198000.0 -0.21 4011068.345 361000.0 0.37 0.1131 0.2618 3092687 BCB02_000160 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J17 mock treatment 3713149.02 -121000.0 -0.13 4301096.899 651000.0 0.68 0.3853 0.5591 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J18 mock treatment 3841535.714 7060.0 0.01 3735253.061 84900.0 0.09 0.0678 0.7656 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J19 mock treatment 3852476.351 18000.0 0.02 3965608.527 315000.0 0.33 0.2455 0.7479 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J20 mock treatment 3619301.418 -215000.0 -0.23 3960810.631 310000.0 0.32 0.0632 0.1587 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J21 mock treatment 3746993.289 -87500.0 -0.09 3968331.034 318000.0 0.33 0.1666 0.4846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J22 mock treatment 3698691.756 -136000.0 -0.15 3795525.547 145000.0 0.15 0.0026 0.0123 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J23 mock treatment 3858639.535 24200.0 0.03 3888909.434 239000.0 0.25 0.1939 0.7775 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 J24 mock treatment 3680461.538 -154000.0 -0.17 3728469.388 78100.0 0.08 -0.0607 -0.3267 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K01 compound treatment 3341936.364 -493000.0 -0.53 3902774.892 252000.0 0.26 -0.1921 -0.3228 3000964 BCB02_000161 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K02 compound treatment 4031870.37 197000.0 0.21 4450953.488 801000.0 0.83 0.7398 0.861 3092688 BCB02_000162 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccncc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K03 compound treatment 3204253.219 -630000.0 -0.68 3416519.481 -234000.0 -0.24 -0.655 -0.9032 3092689 BCB02_000163 CC(C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K04 compound treatment 3328191.176 -506000.0 -0.55 3946537.118 296000.0 0.31 -0.1705 -0.2709 3000965 BCB02_000164 CCOC(=O)C1=CC[C@H](N([C@H]1C=C(C)C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K05 compound treatment 3230465.587 -604000.0 -0.65 3376412.281 -274000.0 -0.28 -0.6644 -0.9304 3092690 BCB02_000165 CC(CC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K06 compound treatment 3072450.0 -762000.0 -0.83 3292205.128 -358000.0 -0.37 -0.8475 -0.9352 3000966 BCB02_000166 CCOC(=O)C1=CC[C@H](N([C@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K07 compound treatment 3165716.738 -669000.0 -0.73 3481831.325 -169000.0 -0.18 -0.6366 -0.8534 3092691 BCB02_000167 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K08 compound treatment 3500776.062 -334000.0 -0.36 3883843.373 233000.0 0.24 -0.0842 -0.1933 3092692 BCB02_000168 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K09 compound treatment 3035269.663 -799000.0 -0.87 3578286.307 -72100.0 -0.07 -0.6657 -0.7654 3000967 BCB02_000169 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K10 compound treatment 3793032.258 -41400.0 -0.04 3831195.122 181000.0 0.19 0.1011 0.5233 3092693 BCB02_000170 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K11 compound treatment 3686079.498 -148000.0 -0.16 3583689.655 -66700.0 -0.07 -0.1628 -0.9291 3000968 BCB02_000171 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K12 compound treatment 3354791.165 -480000.0 -0.52 3797761.364 147000.0 0.15 -0.2594 -0.4785 3092694 BCB02_000172 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K13 compound treatment 3524495.833 -310000.0 -0.34 3537771.127 -113000.0 -0.12 -0.3204 -0.9003 3092695 BCB02_000173 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K14 compound treatment 2916309.917 -918000.0 -1.0 3504815.884 -146000.0 -0.15 -0.8109 -0.8053 3000969 BCB02_000174 CCOC(=O)C1=CC[C@H](N([C@H]1C=C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K15 compound treatment 2854332.016 -980000.0 -1.06 3258028.571 -392000.0 -0.41 -1.0398 -0.9135 3092696 BCB02_000175 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K16 compound treatment 3434181.102 -400000.0 -0.43 3771729.63 121000.0 0.13 -0.2177 -0.4816 3000970 BCB02_000176 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)N(CC)CC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K17 mock treatment 3647906.383 -187000.0 -0.2 4061541.045 411000.0 0.43 0.1592 0.3366 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K18 mock treatment 3886066.421 51600.0 0.06 3798565.543 148000.0 0.15 0.1485 0.906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K19 mock treatment 3812007.326 -22500.0 -0.02 3954177.165 304000.0 0.32 0.2061 0.6506 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K20 mock treatment 3890561.151 56100.0 0.06 4017926.573 368000.0 0.38 0.3132 0.8095 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K21 mock treatment 3871783.133 37300.0 0.04 4044246.269 394000.0 0.41 0.3181 0.7732 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K22 mock treatment 4413766.055 579000.0 0.63 4196237.736 546000.0 0.57 0.8454 0.9987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K23 mock treatment 4113938.865 279000.0 0.3 4164343.478 514000.0 0.53 0.592 0.9639 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 K24 mock treatment 3608480.0 -226000.0 -0.25 3595319.549 -55000.0 -0.06 -0.2137 -0.8493 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L01 compound treatment 3136133.929 -698000.0 -0.76 4671767.544 1020000.0 1.06 0.2153 0.1651 3000971 BCB02_000177 [O-][N+](=O)c1ccc(cc1)c2cccc(=O)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L02 compound treatment 4075345.133 241000.0 0.26 4629852.174 980000.0 1.02 0.9046 0.8606 3092697 BCB02_000178 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L03 compound treatment 4340102.128 506000.0 0.55 5053408.907 1400000.0 1.46 1.4189 0.9107 3000972 BCB02_000179 O=c1cccc(/C=C/c2ccccc2)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L04 compound treatment 4465615.385 631000.0 0.68 4799462.963 1150000.0 1.19 1.3285 0.9651 3092698 BCB02_000180 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccco3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L05 compound treatment 4534610.656 700000.0 0.76 5700457.692 2050000.0 2.13 2.0436 0.9034 3000973 BCB02_000181 O=c1cccc(o1)c2cccc3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L06 compound treatment 4140771.536 306000.0 0.33 4817539.286 1170000.0 1.21 1.0927 0.8687 3092699 BCB02_000182 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L07 compound treatment 3752788.382 -81700.0 -0.09 4537605.263 887000.0 0.92 0.5895 0.6363 3000974 BCB02_000183 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L08 compound treatment 3719014.599 -115000.0 -0.13 4068391.72 418000.0 0.43 0.2187 0.4837 3092700 BCB02_000184 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(Br)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L09 compound treatment 3734367.857 -100000.0 -0.11 4235678.967 585000.0 0.61 0.3535 0.5719 3092701 BCB02_000185 CCOC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L10 compound treatment 3556314.685 -278000.0 -0.3 4424430.147 774000.0 0.8 0.3557 0.4139 3000975 BCB02_000186 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)C(C)C)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L11 compound treatment 4072304.029 238000.0 0.26 4647850.0 998000.0 1.04 0.9155 0.8569 3092771 BCB02_000187 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccn2)c3ccccn3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L12 compound treatment 3585224.066 -249000.0 -0.27 3998605.15 348000.0 0.36 0.0649 0.1436 3000976 BCB02_000188 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](C=C([C@@H]2c3ccccc3)C(=O)O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L13 compound treatment 3642207.031 -192000.0 -0.21 4248257.143 598000.0 0.62 0.292 0.4455 3092772 BCB02_000189 COC(=O)c1cccc(c1)[C@@H]2C/C(=C\C(=O)OC(C)C)/O[C@@H](O2)c3cccc(c3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L14 compound treatment 3265354.839 -569000.0 -0.62 4145308.271 495000.0 0.51 -0.0726 -0.0903 3092773 BCB02_000190 CC(C)[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L15 compound treatment 3810690.299 -23800.0 -0.03 4285473.469 635000.0 0.66 0.4486 0.679 3000977 BCB02_000191 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc(C#N)cc2)c3ccc(C#N)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L16 compound treatment 3351936.652 -483000.0 -0.52 3607854.61 -42500.0 -0.04 -0.4012 -0.7641 3092774 BCB02_000192 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L17 mock treatment 3722803.571 -112000.0 -0.12 4153759.398 503000.0 0.52 0.2844 0.5295 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L18 mock treatment 3705333.333 -129000.0 -0.14 4234444.444 584000.0 0.61 0.3303 0.5301 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L19 mock treatment 3609595.318 -225000.0 -0.24 4113429.577 463000.0 0.48 0.1679 0.3113 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L20 mock treatment 3772699.605 -61800.0 -0.07 3988716.981 338000.0 0.35 0.2013 0.5623 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L21 mock treatment 3398757.475 -436000.0 -0.47 3757328.413 107000.0 0.11 -0.2554 -0.5263 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L22 mock treatment 3601241.935 -233000.0 -0.25 3997026.022 347000.0 0.36 0.076 0.1726 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L23 mock treatment 3646122.881 -188000.0 -0.2 4074172.794 424000.0 0.44 0.1671 0.3441 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 L24 mock treatment 2900857.143 -934000.0 -1.01 3511426.471 -139000.0 -0.14 -0.8179 -0.7999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M01 compound treatment 2095054.795 -1740000.0 -1.89 2887479.381 -763000.0 -0.79 -1.8943 -0.9259 3000978 BCB02_000193 CC1(C)[C@H]2C[C@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M02 compound treatment 3000435.897 -834000.0 -0.9 3414446.352 -236000.0 -0.25 -0.8128 -0.8675 3001047 BCB02_000194 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(c(OC)c4)c5ccc(OCc6ccccc6)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M03 compound treatment 2824745.614 -1010000.0 -1.09 3093443.478 -557000.0 -0.58 -1.1835 -0.9556 3092775 BCB02_000195 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M04 compound treatment 2894530.249 -940000.0 -1.02 3468703.196 -182000.0 -0.19 -0.8541 -0.8241 3001048 BCB02_000196 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M05 compound treatment 2865887.931 -969000.0 -1.05 3251261.682 -399000.0 -0.41 -1.0359 -0.9174 3092776 BCB02_000197 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)[N+](=O)[O-])C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M06 compound treatment 2896045.627 -938000.0 -1.02 3167348.485 -483000.0 -0.5 -1.0745 -0.947 3001049 BCB02_000198 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M07 compound treatment 2773637.168 -1060000.0 -1.15 3263269.841 -387000.0 -0.4 -1.0978 -0.9009 3092777 BCB02_000199 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M08 compound treatment 2948047.619 -886000.0 -0.96 3046048.387 -604000.0 -0.63 -1.1238 -0.9787 3092778 BCB02_000200 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(CC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M09 compound treatment 2905108.696 -929000.0 -1.01 3404040.359 -246000.0 -0.26 -0.8936 -0.8595 3001050 BCB02_000201 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M10 compound treatment 2711665.072 -1120000.0 -1.22 3163501.931 -487000.0 -0.51 -1.2187 -0.9244 3001168 BCB02_000202 CCOC(=O)C1=C(N([C@@H](CC1)c2ccccc2)S(=O)(=O)CC[Si](C)(C)C)C(=O)OCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M11 compound treatment 2784143.498 -1050000.0 -1.14 3418774.892 -232000.0 -0.24 -0.9755 -0.838 3092779 BCB02_000203 COc1ccc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M12 compound treatment 2108178.261 -1730000.0 -1.87 2466301.31 -1180000.0 -1.23 -2.1938 -0.9793 3092780 BCB02_000204 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4cc(Cl)ccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M13 compound treatment 2903938.095 -931000.0 -1.01 3049333.333 -601000.0 -0.62 -1.1552 -0.9734 3001169 BCB02_000205 COc1ccc(NN2C3C(C=CC2C(O)C4=CC[C@H](CC4)C(=C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M14 compound treatment 2885759.162 -949000.0 -1.03 3112104.167 -538000.0 -0.56 -1.123 -0.959 3092781 BCB02_000206 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M15 compound treatment 3745709.091 -88800.0 -0.1 3411427.948 -239000.0 -0.25 -0.2437 -0.9148 3001170 BCB02_000207 COc1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M16 mock treatment 3376335.689 -458000.0 -0.5 3388248.092 -262000.0 -0.27 -0.5439 -0.96 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M17 mock treatment 3051581.301 -783000.0 -0.85 3404966.543 -245000.0 -0.26 -0.7806 -0.8807 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M18 mock treatment 3586373.333 -248000.0 -0.27 3339050.781 -311000.0 -0.32 -0.419 -0.9958 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M19 mock treatment 2912018.45 -922000.0 -1.0 3226576.512 -424000.0 -0.44 -1.0187 -0.9321 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M20 mock treatment 2920533.333 -914000.0 -0.99 3329690.84 -321000.0 -0.33 -0.9364 -0.8956 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M21 mock treatment 3374830.709 -460000.0 -0.5 3293959.514 -356000.0 -0.37 -0.6143 -0.9893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M22 mock treatment 3290331.878 -544000.0 -0.59 3346119.617 -304000.0 -0.32 -0.6408 -0.9573 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M23 mock treatment 3190047.059 -644000.0 -0.7 3558106.977 -92200.0 -0.1 -0.5619 -0.7967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 M24 mock treatment 2755476.19 -1080000.0 -1.17 2720407.407 -930000.0 -0.97 -1.5107 -0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N01 compound treatment 2062965.318 -1770000.0 -1.92 3119188.482 -531000.0 -0.55 -1.7486 -0.8749 3092782 BCB02_000208 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N02 compound treatment 3031979.866 -802000.0 -0.87 3342572.165 -308000.0 -0.32 -0.8415 -0.9077 3092783 BCB02_000209 CCC[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N03 compound treatment 3552621.514 -282000.0 -0.31 4732453.333 1080000.0 1.12 0.5792 0.497 3001171 BCB02_000210 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N04 compound treatment 3382868.217 -452000.0 -0.49 4074138.889 424000.0 0.44 -0.0348 -0.0528 3092784 BCB02_000211 CCS[C@@H]1[C@@H](CC)N([C@H]([C@@H]1C(=O)O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N05 compound treatment 2887373.786 -947000.0 -1.03 3319569.378 -331000.0 -0.34 -0.9692 -0.895 3001172 BCB02_000212 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N06 compound treatment 3413977.444 -420000.0 -0.46 3959489.13 309000.0 0.32 -0.0952 -0.1706 3092785 BCB02_000213 CCOC1=C2C(N(CC2C3C(C1)C(=O)N(C3=O)c4ccccc4)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N07 compound treatment 2738849.624 -1100000.0 -1.19 2978830.508 -672000.0 -0.7 -1.3336 -0.9679 3092786 BCB02_000214 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N08 compound treatment 3290496.094 -544000.0 -0.59 4469735.16 819000.0 0.85 0.1852 0.1787 3001173 BCB02_000215 CCOC1=C2C(N(CC2n3n(C1)c(=O)n(c4ccccc4)c3=O)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N09 compound treatment 2811426.667 -1020000.0 -1.11 3395004.525 -255000.0 -0.27 -0.972 -0.8522 3092787 BCB02_000216 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N10 compound treatment 3314482.759 -520000.0 -0.56 4325145.594 675000.0 0.7 0.0973 0.1081 3001174 BCB02_000217 Cc1ccc(cc1)C2C3C(CN2S(=O)(=O)c4ccc(C)cc4)C5C(CC3=O)C(=O)N(C5=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N11 compound treatment 3377530.973 -457000.0 -0.5 4186137.795 536000.0 0.56 0.0435 0.0583 3092788 BCB02_000218 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccc2C(F)(F)F)c3ccccc3C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N12 compound treatment 3030719.697 -804000.0 -0.87 3855429.603 205000.0 0.21 -0.4655 -0.5189 3092789 BCB02_000219 CCN1C(=O)C2CC(=O)C3C(N(CC3C2C1=O)S(=O)(=O)c4ccc(C)cc4)c5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N13 compound treatment 2130697.674 -1700000.0 -1.85 2638010.101 -1010000.0 -1.05 -2.0503 -0.9644 3001175 BCB02_000220 CON(C)C(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N14 compound treatment 2986683.824 -848000.0 -0.92 3787511.538 137000.0 0.14 -0.5492 -0.5904 3092790 BCB02_000221 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N15 compound treatment 3088964.539 -746000.0 -0.81 3594428.0 -55900.0 -0.06 -0.6127 -0.756 3001176 BCB02_000222 CC(C)OC(=O)CC(=O)CC(O)c1ccc(cc1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N16 mock treatment 2938386.76 -896000.0 -0.97 4019563.707 369000.0 0.38 -0.4157 -0.3979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N17 mock treatment 3018223.077 -816000.0 -0.89 3879043.86 229000.0 0.24 -0.4577 -0.4995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N18 mock treatment 3500510.04 -334000.0 -0.36 3811230.469 161000.0 0.17 -0.1378 -0.3455 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N19 mock treatment 3697751.938 -137000.0 -0.15 3729641.026 79300.0 0.08 -0.0465 -0.2744 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N20 mock treatment 2887284.644 -947000.0 -1.03 3570914.98 -79400.0 -0.08 -0.7846 -0.7615 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N21 mock treatment 2778837.134 -1060000.0 -1.14 3294929.104 -355000.0 -0.37 -1.0706 -0.8901 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N22 mock treatment 2953000.0 -881000.0 -0.96 3484982.206 -165000.0 -0.17 -0.7974 -0.8211 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N23 mock treatment 2874256.637 -960000.0 -1.04 3265679.487 -385000.0 -0.4 -1.0189 -0.9136 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 N24 mock treatment 2436275.618 -1400000.0 -1.52 2778369.295 -872000.0 -0.91 -1.7129 -0.9698 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O01 compound treatment 2626417.021 -1210000.0 -1.31 2543323.077 -1110000.0 -1.15 -1.7398 -0.9979 3092791 BCB02_000223 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O02 compound treatment 3141840.467 -693000.0 -0.75 3475932.54 -174000.0 -0.18 -0.6592 -0.8533 3001177 BCB02_000224 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccco3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O03 compound treatment 3327200.0 -507000.0 -0.55 3630873.832 -19500.0 -0.02 -0.4032 -0.7326 3092792 BCB02_000225 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)c(OCc5ccccc5)c4)C(=O)N(C6CCCCC6)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O04 compound treatment 3684533.019 -150000.0 -0.16 2418644.86 -1230000.0 -1.28 -1.0202 -0.7906 3001178 BCB02_000226 CCOC(=O)C1=CC[C@H](N([C@@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O05 compound treatment 3628607.287 -206000.0 -0.22 3700747.126 50400.0 0.05 -0.1208 -0.5268 3092860 BCB02_000227 COc1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O06 compound treatment 3853615.044 19100.0 0.02 4560659.664 910000.0 0.95 0.6837 0.7224 3001179 BCB02_000228 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)CC[Si](C)(C)C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O07 compound treatment 3206255.061 -628000.0 -0.68 3383058.824 -267000.0 -0.28 -0.6781 -0.9218 3092861 BCB02_000229 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O08 compound treatment 3526011.858 -308000.0 -0.33 3671393.519 21000.0 0.02 -0.221 -0.6594 3001245 BCB02_000230 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccn3C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O09 compound treatment 3032021.739 -802000.0 -0.87 3146201.878 -504000.0 -0.52 -0.9858 -0.9705 3092862 BCB02_000231 COc1ccc(NN2C3C(C=CC2C(O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O10 compound treatment 3752531.532 -81900.0 -0.09 3801910.112 152000.0 0.16 0.0486 0.2686 3001246 BCB02_000232 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O11 compound treatment 3347996.0 -486000.0 -0.53 3325145.54 -325000.0 -0.34 -0.612 -0.9769 3092863 BCB02_000233 Cc1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C5CCCCC5)C3=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O12 compound treatment 4086333.333 252000.0 0.27 4142078.189 492000.0 0.51 0.5545 0.9569 3001247 BCB02_000234 CCOC(=O)C1=CCC(NC1)c2cc3ccccc3[nH]2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O13 compound treatment 3618105.263 -216000.0 -0.23 3552791.489 -97600.0 -0.1 -0.2376 -0.9296 3092864 BCB02_000235 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O14 compound treatment 3216966.019 -618000.0 -0.67 3503504.386 -147000.0 -0.15 -0.5814 -0.8466 3001248 BCB02_000236 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccccc2[N+](=O)[O-])c3cc4ccccc4[nH]3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O15 compound treatment 3912120.172 77600.0 0.08 3917710.638 267000.0 0.28 0.256 0.8817 3092865 BCB02_000237 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O16 mock treatment 3961272.031 127000.0 0.14 4035631.356 385000.0 0.4 0.3804 0.8984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O17 mock treatment 3851145.161 16700.0 0.02 4094364.312 444000.0 0.46 0.3391 0.7342 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O18 mock treatment 3869951.613 35500.0 0.04 4054254.464 404000.0 0.42 0.3241 0.7687 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O19 mock treatment 3911774.194 77300.0 0.08 3681817.844 31500.0 0.03 0.0824 0.9158 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O20 mock treatment 3994223.176 160000.0 0.17 3656299.107 5950.0 0.01 0.1269 0.7319 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O21 mock treatment 3881831.897 47400.0 0.05 3949981.132 300000.0 0.31 0.2565 0.8127 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O22 mock treatment 3790594.796 -43900.0 -0.05 4008458.647 358000.0 0.37 0.2296 0.6118 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O23 mock treatment 4018677.551 184000.0 0.2 3667369.565 17000.0 0.02 0.1537 0.7667 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 O24 mock treatment 3351879.245 -483000.0 -0.52 3090814.48 -560000.0 -0.58 -0.7812 -0.9986 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P01 compound treatment 2784394.231 -1050000.0 -1.14 3423383.495 -227000.0 -0.24 -0.9719 -0.8359 3001249 BCB02_000238 CC(C)OC(=O)CC(=O)CC(O)c1cccc(c1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P02 compound treatment 3145700.422 -689000.0 -0.75 4031033.898 381000.0 0.4 -0.2483 -0.2938 3092866 BCB02_000239 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P03 compound treatment 3473952.174 -361000.0 -0.39 3784318.841 134000.0 0.14 -0.1779 -0.4288 3001250 BCB02_000240 CC(C)OC(=O)CC(=O)CC(O)c1cccc(C#N)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P04 compound treatment 2968600.858 -866000.0 -0.94 3309752.212 -341000.0 -0.35 -0.9142 -0.9111 3092867 BCB02_000241 CCOC(=O)C1=CC[C@H](N([C@H]1CC)S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P05 compound treatment 3115970.085 -719000.0 -0.78 3937464.435 287000.0 0.3 -0.3398 -0.4074 3001251 BCB02_000242 CC(C)OC(=O)CC(=O)CC(O)c1ccc(C#N)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P06 compound treatment 3025346.491 -809000.0 -0.88 3579013.216 -71300.0 -0.07 -0.6728 -0.7641 3092868 BCB02_000243 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P07 compound treatment 3500032.389 -334000.0 -0.36 4082642.241 432000.0 0.45 0.0613 0.1062 3001252 BCB02_000244 COC(=O)C1=CCC(CC1)(C=C)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P08 compound treatment 2998047.826 -836000.0 -0.91 3376042.918 -274000.0 -0.29 -0.8429 -0.8866 3092869 BCB02_000245 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P09 compound treatment 3628118.644 -206000.0 -0.22 4003033.962 353000.0 0.37 0.101 0.2352 3001253 BCB02_000246 COC(=O)/C=C(/CC(O)c1cccc(Cl)c1)\OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P10 compound treatment 3043957.983 -791000.0 -0.86 3343943.089 -306000.0 -0.32 -0.8313 -0.9091 3092870 BCB02_000247 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P11 compound treatment 3184843.066 -650000.0 -0.7 3603212.851 -47100.0 -0.05 -0.5327 -0.7545 3001254 BCB02_000248 OC(C/C(=C/C(=O)OCCF)/OCCF)c1cccc(Cl)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P12 compound treatment 3272541.985 -562000.0 -0.61 3950081.712 300000.0 0.31 -0.2105 -0.3076 3092871 BCB02_000249 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(Br)c2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCC=C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P13 compound treatment 2721935.714 -1110000.0 -1.21 3057273.469 -593000.0 -0.62 -1.2889 -0.9514 3001255 BCB02_000250 CCO/C(=C\C(=O)OC)/CC(O)c1cccc(Cl)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P14 compound treatment 2805230.159 -1030000.0 -1.12 3227511.538 -423000.0 -0.44 -1.0999 -0.917 3092774 BCB02_000251 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P15 compound treatment 3087488.055 -747000.0 -0.81 3434167.364 -216000.0 -0.22 -0.7316 -0.8704 3092872 BCB02_000252 FCCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P16 mock treatment 3382977.099 -451000.0 -0.49 3518520.599 -132000.0 -0.14 -0.443 -0.8715 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P17 mock treatment 3384661.597 -450000.0 -0.49 3554075.758 -96300.0 -0.1 -0.4156 -0.8348 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P18 mock treatment 3314159.664 -520000.0 -0.56 3440190.871 -210000.0 -0.22 -0.5534 -0.9147 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P19 mock treatment 3016006.944 -818000.0 -0.89 3321314.879 -329000.0 -0.34 -0.8693 -0.9141 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P20 mock treatment 3068972.222 -766000.0 -0.83 3264392.453 -386000.0 -0.4 -0.8706 -0.9444 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P21 mock treatment 2938993.243 -895000.0 -0.97 3036202.749 -614000.0 -0.64 -1.1379 -0.9793 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P22 mock treatment 3085691.756 -749000.0 -0.81 3190017.483 -460000.0 -0.48 -0.9124 -0.9682 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P23 mock treatment 3241267.241 -593000.0 -0.64 3170928.328 -479000.0 -0.5 -0.8072 -0.992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2088 P24 mock treatment 2780847.737 -1050000.0 -1.14 2738140.794 -912000.0 -0.95 -1.4783 -0.9957 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A01 compound treatment 2784359.223 -1120000.0 -1.21 2353586.364 -1170000.0 -1.21 -1.7147 -1.0 3186889 PK04_093001 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A02 compound treatment 3512651.584 -389000.0 -0.42 2996851.485 -524000.0 -0.54 -0.6835 -0.992 3067555 PK04_093002 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A03 compound treatment 4010570.796 109000.0 0.12 3234194.175 -287000.0 -0.3 -0.1273 -0.3973 3186890 PK04_093003 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A04 compound treatment 3499312.5 -402000.0 -0.44 3329720.0 -191000.0 -0.2 -0.4491 -0.9366 3186891 PK04_093004 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A05 compound treatment 3380108.808 -522000.0 -0.57 3278085.561 -243000.0 -0.25 -0.5784 -0.9339 3067558 PK04_093005 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A06 compound treatment 3278702.381 -623000.0 -0.68 3299868.02 -221000.0 -0.23 -0.6402 -0.8971 3186892 PK04_093006 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A07 compound treatment 2991826.087 -910000.0 -0.99 2942091.787 -579000.0 -0.6 -1.1231 -0.9719 3067559 PK04_093007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A08 compound treatment 3452123.223 -450000.0 -0.49 3123698.276 -397000.0 -0.41 -0.6367 -0.9966 3186893 PK04_093008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A09 compound treatment 3503502.146 -398000.0 -0.43 3091123.077 -430000.0 -0.45 -0.6213 -0.9999 3186894 PK04_093009 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A10 compound treatment 3453798.122 -448000.0 -0.49 2890658.537 -630000.0 -0.66 -0.8067 -0.9892 3067560 PK04_093010 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A11 compound treatment 3409588.785 -492000.0 -0.53 3099392.523 -422000.0 -0.44 -0.6872 -0.9952 3186895 PK04_093011 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A12 compound treatment 4110466.667 209000.0 0.23 3431623.81 -89300.0 -0.09 0.0944 0.3858 3186896 PK04_093012 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A13 mock treatment 3712045.685 -190000.0 -0.21 3508221.649 -12700.0 -0.01 -0.1548 -0.751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A14 mock treatment 3843344.186 -58400.0 -0.06 3278026.316 -243000.0 -0.25 -0.2233 -0.8579 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A15 compound treatment 3183098.131 -719000.0 -0.78 2800776.119 -720000.0 -0.75 -1.0803 -0.9998 3067562 PK04_093013 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A16 compound treatment 3164323.671 -737000.0 -0.8 2904770.408 -616000.0 -0.64 -1.0183 -0.9939 3186897 PK04_093014 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A17 compound treatment 3492331.731 -409000.0 -0.44 3107825.0 -413000.0 -0.43 -0.6175 -0.9999 3067564 PK04_093015 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A18 compound treatment 3811934.884 -89800.0 -0.1 3019835.979 -501000.0 -0.52 -0.4372 -0.825 3186898 PK04_093016 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A19 compound treatment 3096949.239 -805000.0 -0.87 2707101.852 -814000.0 -0.85 -1.2152 -0.9999 3186899 PK04_093017 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A20 compound treatment 3150831.818 -751000.0 -0.81 2577563.877 -943000.0 -0.98 -1.2691 -0.9957 3067604 PK04_093018 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A21 compound treatment 3210009.346 -692000.0 -0.75 2565062.5 -956000.0 -0.99 -1.2329 -0.9904 3186900 PK04_093019 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A22 compound treatment 3428915.493 -473000.0 -0.51 2837506.608 -683000.0 -0.71 -0.8648 -0.9872 3067607 PK04_093020 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A23 compound treatment 3081424.658 -820000.0 -0.89 2627265.487 -894000.0 -0.93 -1.2858 -0.9998 3186901 PK04_093021 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 A24 compound treatment 2290533.632 -1610000.0 -1.75 2056977.477 -1460000.0 -1.52 -2.3113 -0.9976 3186902 PK04_093022 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B01 compound treatment 3854010.582 -47800.0 -0.05 3577287.179 56300.0 0.06 0.0048 0.0613 3067612 PK04_093023 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B02 compound treatment 4616169.903 714000.0 0.77 3708485.149 188000.0 0.19 0.6856 0.8583 3186903 PK04_093024 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B03 compound treatment 3584422.111 -317000.0 -0.34 3310706.468 -210000.0 -0.22 -0.3978 -0.976 3067614 PK04_093025 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B04 compound treatment 4820517.766 919000.0 1.0 4039303.738 518000.0 0.54 1.0854 0.9584 3186904 PK04_093026 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B05 compound treatment 3464866.667 -437000.0 -0.47 3076000.0 -445000.0 -0.46 -0.662 -0.9999 3186905 PK04_093027 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B06 compound treatment 4162343.284 261000.0 0.28 4591095.023 1070000.0 1.11 0.9863 0.8594 3068180 PK04_093028 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B07 compound treatment 4107505.495 206000.0 0.22 3566098.522 45200.0 0.05 0.1909 0.8376 3186906 PK04_093029 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B08 compound treatment 3548725.0 -353000.0 -0.38 2960899.522 -560000.0 -0.58 -0.6823 -0.9793 3186992 PK04_093030 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B09 compound treatment 3501012.658 -401000.0 -0.43 2843949.309 -677000.0 -0.7 -0.8048 -0.9732 3068181 PK04_093031 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B10 compound treatment 3929605.911 27800.0 0.03 3633443.878 113000.0 0.12 0.104 0.8614 3186993 PK04_093032 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B11 compound treatment 3972574.163 70800.0 0.08 3808754.717 288000.0 0.3 0.2658 0.8607 3068182 PK04_093033 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B12 compound treatment 3932945.545 31200.0 0.03 3181182.292 -340000.0 -0.35 -0.2258 -0.6365 3186994 PK04_093034 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B13 mock treatment 4363536.946 462000.0 0.5 3593237.113 72300.0 0.08 0.4072 0.8042 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B14 mock treatment 4133072.072 231000.0 0.25 4061266.99 540000.0 0.56 0.5745 0.934 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B15 compound treatment 4096474.227 195000.0 0.21 3916420.091 395000.0 0.41 0.4399 0.952 3068183 PK04_093035 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B16 compound treatment 4585677.249 684000.0 0.74 4105875.648 585000.0 0.61 0.9543 0.9951 3186995 PK04_093036 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B17 compound treatment 2804427.273 -1100000.0 -1.19 2239222.222 -1280000.0 -1.33 -1.7834 -0.9984 3186996 PK04_093037 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B18 compound treatment 3708064.655 -194000.0 -0.21 2665957.746 -855000.0 -0.89 -0.7769 -0.8508 3068184 PK04_093038 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B19 compound treatment 3605462.617 -296000.0 -0.32 2830207.729 -691000.0 -0.72 -0.7348 -0.9343 3186997 PK04_093039 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B20 compound treatment 4211705.584 310000.0 0.34 3475169.231 -45800.0 -0.05 0.204 0.601 3186998 PK04_093040 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B21 compound treatment 3428072.539 -474000.0 -0.51 3120658.009 -400000.0 -0.42 -0.6574 -0.9945 3068185 PK04_093041 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B22 compound treatment 3647710.084 -254000.0 -0.28 3210186.364 -311000.0 -0.32 -0.4232 -0.9969 3186999 PK04_093042 CN(C)C(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B23 compound treatment 3516399.24 -385000.0 -0.42 3436961.089 -84000.0 -0.09 -0.3572 -0.8368 3068186 PK04_093043 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 B24 compound treatment 3255024.49 -647000.0 -0.7 2979649.573 -541000.0 -0.56 -0.8937 -0.994 3187000 PK04_093044 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C01 compound treatment 2885164.835 -1020000.0 -1.1 2587368.715 -934000.0 -0.97 -1.4656 -0.998 3187001 PK04_093045 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C02 compound treatment 4170654.709 269000.0 0.29 3618706.14 97800.0 0.1 0.278 0.9004 3068187 PK04_093046 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C03 compound treatment 3563632.743 -338000.0 -0.37 3425736.111 -95200.0 -0.1 -0.3292 -0.8669 3187002 PK04_093047 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C04 compound treatment 3829420.792 -72400.0 -0.08 3618622.727 97700.0 0.1 0.0163 0.1272 3068188 PK04_093048 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C05 compound treatment 3575519.824 -326000.0 -0.35 3152075.758 -369000.0 -0.38 -0.5212 -0.9992 3187003 PK04_093049 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C06 compound treatment 3468949.772 -433000.0 -0.47 3437381.166 -83600.0 -0.09 -0.3933 -0.824 3187004 PK04_093050 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C07 compound treatment 3409934.066 -492000.0 -0.53 3570447.368 49500.0 0.05 -0.3407 -0.6359 3068189 PK04_093051 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C08 compound treatment 3572427.928 -329000.0 -0.36 3148918.182 -372000.0 -0.39 -0.5259 -0.9992 3187005 PK04_093052 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C09 compound treatment 3371911.017 -530000.0 -0.57 3091930.131 -429000.0 -0.45 -0.7216 -0.9922 3187006 PK04_093053 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C10 compound treatment 3240370.536 -661000.0 -0.72 3366184.211 -155000.0 -0.16 -0.6208 -0.8447 3068190 PK04_093054 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C11 mock treatment 3995323.383 93600.0 0.1 3282505.102 -238000.0 -0.25 -0.1035 -0.3866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C12 mock treatment 3831885.321 -69900.0 -0.08 3419138.122 -102000.0 -0.11 -0.1284 -0.9866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C13 compound treatment 2623152.709 -1280000.0 -1.39 2292760.456 -1230000.0 -1.28 -1.883 -0.9992 3187007 PK04_093055 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C14 compound treatment 3393936.364 -508000.0 -0.55 3176156.627 -345000.0 -0.36 -0.6428 -0.9784 3068191 PK04_093056 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C15 mock treatment 3592885.167 -309000.0 -0.33 3466333.333 -54600.0 -0.06 -0.277 -0.8153 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C16 mock treatment 3576906.103 -325000.0 -0.35 3080112.15 -441000.0 -0.46 -0.5731 -0.9916 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C17 compound treatment 2347867.521 -1550000.0 -1.68 2335491.736 -1190000.0 -1.23 -2.0626 -0.9882 3187008 PK04_093057 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C18 compound treatment 3485415.459 -416000.0 -0.45 3194602.564 -326000.0 -0.34 -0.5591 -0.9901 3068193 PK04_093058 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C19 compound treatment 3101085.47 -801000.0 -0.87 2823623.711 -697000.0 -0.72 -1.1264 -0.996 3187009 PK04_093059 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C20 compound treatment 2948264.574 -954000.0 -1.03 2829775.51 -691000.0 -0.72 -1.239 -0.9842 3187010 PK04_093060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C21 compound treatment 3136455.0 -765000.0 -0.83 3099316.038 -422000.0 -0.44 -0.8966 -0.9555 3068197 PK04_093061 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C22 compound treatment 3525785.0 -376000.0 -0.41 3107039.823 -414000.0 -0.43 -0.5925 -0.9996 3187011 PK04_093062 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C23 compound treatment 3611204.651 -291000.0 -0.32 3483440.816 -37500.0 -0.04 -0.2503 -0.7886 3068199 PK04_093063 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 C24 compound treatment 2694434.783 -1210000.0 -1.31 3764221.739 243000.0 0.25 -0.7468 -0.5602 3187012 PK04_093064 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D01 compound treatment 3771399.038 -130000.0 -0.14 4244014.706 723000.0 0.75 0.4315 0.5642 3187091 PK04_093065 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D02 compound treatment 4615397.906 714000.0 0.77 5570479.452 2050000.0 2.13 2.0535 0.906 3068202 PK04_093066 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D03 compound treatment 4953307.359 1050000.0 1.14 4662626.866 1140000.0 1.19 1.6453 0.9998 3187092 PK04_093067 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D04 compound treatment 3740675.556 -161000.0 -0.17 4180293.86 659000.0 0.69 0.3611 0.5106 3187093 PK04_093068 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D05 compound treatment 3690496.183 -211000.0 -0.23 5187362.445 1670000.0 1.73 1.0628 0.6083 3068220 PK04_093069 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D06 compound treatment 3255666.667 -646000.0 -0.7 4326832.685 806000.0 0.84 0.0969 0.0888 3187094 PK04_093070 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D07 compound treatment 3710780.488 -191000.0 -0.21 5109486.486 1590000.0 1.65 1.0211 0.6136 3068223 PK04_093071 COC(=O)[C@H]1COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D08 compound treatment 2736603.96 -1170000.0 -1.26 3530028.302 9090.0 0.01 -0.8866 -0.7018 3187095 PK04_093072 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D09 compound treatment 2706742.537 -1200000.0 -1.3 4664082.645 1140000.0 1.19 -0.076 -0.0433 3068225 PK04_093073 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D10 compound treatment 3417618.474 -484000.0 -0.52 5204379.63 1680000.0 1.75 0.8661 0.4741 3187096 PK04_093074 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D11 mock treatment 3846700.0 -55100.0 -0.06 5226131.068 1710000.0 1.77 1.2111 0.6829 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D12 mock treatment 3591911.894 -310000.0 -0.34 4369038.835 848000.0 0.88 0.3858 0.4089 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D13 compound treatment 3102229.839 -800000.0 -0.87 4088477.178 568000.0 0.59 -0.1959 -0.1868 3187097 PK04_093075 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D14 compound treatment 2859326.613 -1040000.0 -1.13 3980357.759 459000.0 0.48 -0.4616 -0.3762 3068228 PK04_093076 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D15 mock treatment 3216285.141 -685000.0 -0.74 4190157.895 669000.0 0.7 -0.0337 -0.0331 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D16 mock treatment 3385646.825 -516000.0 -0.56 4362750.0 842000.0 0.87 0.223 0.2147 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D17 compound treatment 3153304.348 -748000.0 -0.81 3206283.898 -315000.0 -0.33 -0.8051 -0.9202 3187098 PK04_093077 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D18 compound treatment 3197876.596 -704000.0 -0.76 3550580.087 29600.0 0.03 -0.5179 -0.678 3187099 PK04_093078 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D19 compound treatment 3283648.305 -618000.0 -0.67 3571800.0 50900.0 0.05 -0.4365 -0.6493 3068229 PK04_093079 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D20 compound treatment 3224230.453 -678000.0 -0.73 3436457.399 -84500.0 -0.09 -0.5816 -0.786 3187100 PK04_093080 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D21 compound treatment 2872054.852 -1030000.0 -1.12 3645329.167 124000.0 0.13 -0.6981 -0.6211 3068232 PK04_093081 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D22 compound treatment 3056247.458 -846000.0 -0.92 3915360.731 394000.0 0.41 -0.3584 -0.3568 3187101 PK04_093082 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D23 compound treatment 2778244.526 -1120000.0 -1.22 3351020.747 -170000.0 -0.18 -0.9863 -0.8012 3187102 PK04_093083 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 D24 compound treatment 2663236.515 -1240000.0 -1.34 3470137.168 -50800.0 -0.05 -0.9869 -0.7343 3068234 PK04_093084 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E01 mock treatment 4542762.791 641000.0 0.7 3614574.766 93600.0 0.1 0.5603 0.7983 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E02 mock treatment 4987435.644 1090000.0 1.18 4096990.521 576000.0 0.6 1.2558 0.9508 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E03 compound treatment 4248938.095 347000.0 0.38 3347160.87 -174000.0 -0.18 0.1384 0.3316 3187103 PK04_093085 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E04 compound treatment 4385922.33 484000.0 0.52 3627976.959 107000.0 0.11 0.4499 0.8383 3187104 PK04_093086 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E05 compound treatment 4531893.023 630000.0 0.68 3834247.899 313000.0 0.33 0.7134 0.9426 3068237 PK04_093087 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E06 compound treatment 4055576.471 154000.0 0.17 3572542.969 51600.0 0.05 0.1558 0.8897 3187105 PK04_093088 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E07 compound treatment 2817642.857 -1080000.0 -1.18 2429685.484 -1090000.0 -1.13 -1.6332 -0.9998 3068240 PK04_093089 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E08 compound treatment 3057066.176 -845000.0 -0.92 2785271.739 -736000.0 -0.76 -1.1883 -0.996 3187106 PK04_093090 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E09 mock treatment 4060112.15 158000.0 0.17 3321456.41 -199000.0 -0.21 -0.0252 -0.0937 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E10 mock treatment 3892624.339 -9150.0 -0.01 3662305.419 141000.0 0.15 0.0969 0.6579 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E11 compound treatment 3378509.709 -523000.0 -0.57 3205712.963 -315000.0 -0.33 -0.6329 -0.966 3068242 PK04_093091 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E12 compound treatment 3623975.0 -278000.0 -0.3 3172908.0 -348000.0 -0.36 -0.4688 -0.9959 3187107 PK04_093092 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E13 compound treatment 3052055.046 -850000.0 -0.92 2685474.51 -835000.0 -0.87 -1.2655 -0.9996 3068264 PK04_093093 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E14 compound treatment 3279968.872 -622000.0 -0.67 2941887.85 -579000.0 -0.6 -0.9023 -0.9984 3187108 PK04_093094 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E15 compound treatment 2993829.582 -908000.0 -0.98 2907118.577 -614000.0 -0.64 -1.1473 -0.978 3187109 PK04_093095 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E16 compound treatment 3934456.79 32700.0 0.04 3126540.65 -394000.0 -0.41 -0.2648 -0.6436 3068267 PK04_093096 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E17 mock treatment 3772207.792 -130000.0 -0.14 3639145.923 118000.0 0.12 -0.0125 -0.0667 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E18 mock treatment 3655078.498 -247000.0 -0.27 3598898.148 78000.0 0.08 -0.1318 -0.4717 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E19 compound treatment 3949129.412 47400.0 0.05 3449209.524 -71700.0 -0.07 -0.0164 -0.1813 3187110 PK04_093097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E20 compound treatment 3495881.279 -406000.0 -0.44 3145360.19 -376000.0 -0.39 -0.5872 -0.9982 3187111 PK04_093098 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E21 compound treatment 3392583.756 -509000.0 -0.55 2872574.766 -648000.0 -0.67 -0.8669 -0.9951 3068269 PK04_093099 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E22 compound treatment 3827092.437 -74700.0 -0.08 3274544.248 -246000.0 -0.26 -0.2384 -0.8874 3187184 PK04_093100 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E23 compound treatment 3296978.723 -605000.0 -0.66 2973051.724 -548000.0 -0.57 -0.8664 -0.9975 3068272 PK04_093101 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 E24 compound treatment 3410004.739 -492000.0 -0.53 2640343.284 -881000.0 -0.92 -1.0243 -0.9669 3187185 PK04_093102 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F01 mock treatment 3821649.351 -80100.0 -0.09 3177607.143 -343000.0 -0.36 -0.3138 -0.8543 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F02 mock treatment 5209020.202 1310000.0 1.42 3964316.832 443000.0 0.46 1.3281 0.8911 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F03 compound treatment 3975587.379 73800.0 0.08 3046379.808 -475000.0 -0.49 -0.2922 -0.5847 3068274 PK04_093103 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F04 compound treatment 3937386.719 35600.0 0.04 2857995.192 -663000.0 -0.69 -0.4599 -0.6664 3187186 PK04_093104 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F05 compound treatment 3324872.247 -577000.0 -0.63 2853373.134 -668000.0 -0.69 -0.9329 -0.9987 3068276 PK04_093105 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F06 compound treatment 3448343.137 -453000.0 -0.49 3055971.264 -465000.0 -0.48 -0.6894 -1.0 3187187 PK04_093106 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F07 compound treatment 3892304.511 -9470.0 -0.01 3175549.55 -345000.0 -0.36 -0.2611 -0.727 3187188 PK04_093107 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F08 compound treatment 3803237.288 -98500.0 -0.11 2853695.279 -667000.0 -0.69 -0.566 -0.8065 3068278 PK04_093108 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F09 mock treatment 4127497.959 226000.0 0.24 3994582.278 474000.0 0.49 0.5212 0.948 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F10 mock treatment 4342321.101 441000.0 0.48 3744572.115 224000.0 0.23 0.5021 0.9452 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F11 compound treatment 3270861.111 -631000.0 -0.68 2943557.447 -577000.0 -0.6 -0.9081 -0.9979 3187189 PK04_093109 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F12 compound treatment 3533400.922 -368000.0 -0.4 3389350.467 -132000.0 -0.14 -0.3791 -0.8981 3068280 PK04_093110 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F13 compound treatment 2640701.961 -1260000.0 -1.37 2881242.009 -640000.0 -0.66 -1.437 -0.9451 3187190 PK04_093111 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F14 compound treatment 2908184.466 -994000.0 -1.08 2564398.058 -957000.0 -0.99 -1.4648 -0.9992 3187191 PK04_093112 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F15 compound treatment 3442245.487 -460000.0 -0.5 3074147.465 -447000.0 -0.46 -0.6807 -0.9994 3068282 PK04_093113 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F16 compound treatment 3196460.829 -705000.0 -0.76 2734956.0 -786000.0 -0.82 -1.1184 -0.9995 3187192 PK04_093114 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F17 mock treatment 3452087.963 -450000.0 -0.49 3283165.179 -238000.0 -0.25 -0.5195 -0.9504 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F18 mock treatment 3721323.404 -180000.0 -0.2 3587022.222 66100.0 0.07 -0.0898 -0.433 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F19 compound treatment 3610949.416 -291000.0 -0.32 2500671.362 -1020000.0 -1.06 -0.9728 -0.8793 3187193 PK04_093115 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F20 compound treatment 3457993.266 -444000.0 -0.48 3246638.554 -274000.0 -0.29 -0.5418 -0.9688 3068312 PK04_093116 NC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F21 compound treatment 3386641.921 -515000.0 -0.56 2526218.623 -995000.0 -1.03 -1.126 -0.9582 3068314 PK04_093117 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F22 compound treatment 3512284.698 -389000.0 -0.42 3105628.906 -415000.0 -0.43 -0.6039 -0.9999 3187194 PK04_093118 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F23 compound treatment 3278664.032 -623000.0 -0.68 2603625.0 -917000.0 -0.95 -1.1519 -0.9858 3187195 PK04_093119 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 F24 compound treatment 3090507.092 -811000.0 -0.88 3156341.991 -365000.0 -0.38 -0.89 -0.9292 3068317 PK04_093120 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G01 compound treatment 4451858.491 550000.0 0.6 4008600.0 488000.0 0.51 0.7802 0.9967 3187196 PK04_093121 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G02 compound treatment 5048421.053 1150000.0 1.24 3785387.435 264000.0 0.27 1.0735 0.8431 3068319 PK04_093122 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G03 mock treatment 4526878.906 625000.0 0.68 3861451.754 341000.0 0.35 0.7295 0.9541 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G04 mock treatment 4529288.793 628000.0 0.68 4166214.953 645000.0 0.67 0.9554 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G05 compound treatment 4028551.546 127000.0 0.14 3668801.887 148000.0 0.15 0.2059 0.9985 3187197 PK04_093123 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G06 compound treatment 4338478.632 437000.0 0.47 3562959.276 42000.0 0.04 0.3657 0.7691 3187198 PK04_093124 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G07 compound treatment 3755035.714 -147000.0 -0.16 3481922.727 -39000.0 -0.04 -0.1412 -0.8599 3068323 PK04_093125 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G08 compound treatment 3683768.293 -218000.0 -0.24 3041556.054 -479000.0 -0.5 -0.5195 -0.9419 3187199 PK04_093126 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G09 compound treatment 3485616.162 -416000.0 -0.45 3476250.0 -44700.0 -0.05 -0.3519 -0.7758 3068325 PK04_093127 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G10 compound treatment 3334878.378 -567000.0 -0.61 3204453.815 -316000.0 -0.33 -0.6672 -0.9571 3187200 PK04_093128 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G11 compound treatment 3019098.266 -883000.0 -0.96 2950163.636 -571000.0 -0.59 -1.0962 -0.9736 3187201 PK04_093129 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G12 compound treatment 3895380.952 -6390.0 -0.01 3165575.0 -355000.0 -0.37 -0.2661 -0.7202 3068327 PK04_093130 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G13 compound treatment 2754285.714 -1150000.0 -1.24 2396038.76 -1120000.0 -1.17 -1.7065 -0.9995 3187202 PK04_093131 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G14 compound treatment 3892146.667 -9630.0 -0.01 3733096.491 212000.0 0.22 0.1486 0.6729 3187203 PK04_093132 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G15 compound treatment 3795544.304 -106000.0 -0.12 3327482.759 -193000.0 -0.2 -0.2236 -0.965 3068330 PK04_093133 COC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G16 compound treatment 3022216.667 -880000.0 -0.95 2788574.661 -732000.0 -0.76 -1.2126 -0.9938 3068332 PK04_093134 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G17 compound treatment 3474870.293 -427000.0 -0.46 3133252.101 -388000.0 -0.4 -0.6122 -0.9976 3187278 PK04_093135 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G18 compound treatment 3797467.128 -104000.0 -0.11 3456319.149 -64600.0 -0.07 -0.1275 -0.969 3187279 PK04_093136 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G19 mock treatment 3922848.708 21100.0 0.02 3654845.494 134000.0 0.14 0.1146 0.8123 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G20 mock treatment 3962148.936 60400.0 0.07 3039194.915 -482000.0 -0.5 -0.3078 -0.6095 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G21 compound treatment 3909270.677 7500.0 0.01 3420636.752 -100000.0 -0.1 -0.068 -0.65 3187280 PK04_093137 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G22 compound treatment 3654610.577 -247000.0 -0.27 3011589.744 -509000.0 -0.53 -0.5639 -0.9502 3068361 PK04_093138 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G23 compound treatment 3078512.605 -823000.0 -0.89 2682872.727 -838000.0 -0.87 -1.2471 -0.9999 3187281 PK04_093139 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 G24 compound treatment 2916578.431 -985000.0 -1.07 2764175.439 -757000.0 -0.79 -1.3115 -0.9887 3187282 PK04_093140 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H01 compound treatment 3977433.155 75700.0 0.08 3183119.403 -338000.0 -0.35 -0.1903 -0.5277 3068365 PK04_093141 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H02 compound treatment 4832747.525 931000.0 1.01 3805446.154 285000.0 0.3 0.9229 0.8774 3187283 PK04_093142 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H03 mock treatment 4920047.619 1020000.0 1.1 4078784.038 558000.0 0.58 1.1907 0.9548 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H04 mock treatment 4691995.0 790000.0 0.86 3850950.739 330000.0 0.34 0.8484 0.9193 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H05 compound treatment 3706008.696 -196000.0 -0.21 3086820.628 -434000.0 -0.45 -0.4692 -0.9408 3068368 PK04_093143 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H06 compound treatment 4563703.057 662000.0 0.72 4006327.273 485000.0 0.5 0.8642 0.9851 3187284 PK04_093144 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H07 compound treatment 4246918.919 345000.0 0.37 2818080.952 -703000.0 -0.73 -0.252 -0.307 3187285 PK04_093145 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H08 compound treatment 4221819.608 320000.0 0.35 3421072.727 -99900.0 -0.1 0.172 0.4748 3068370 PK04_093146 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H09 compound treatment 3386697.802 -515000.0 -0.56 2420024.51 -1100000.0 -1.14 -1.204 -0.9456 3187286 PK04_093147 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H10 compound treatment 3214595.96 -687000.0 -0.75 2843065.0 -678000.0 -0.7 -1.0251 -0.9996 3187287 PK04_093148 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H11 compound treatment 4674334.728 773000.0 0.84 3838390.476 317000.0 0.33 0.8256 0.9171 3068373 PK04_093149 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H12 compound treatment 3973763.158 72000.0 0.08 3138363.229 -383000.0 -0.4 -0.226 -0.5577 3187288 PK04_093150 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H13 compound treatment 3491182.203 -411000.0 -0.45 2853663.636 -667000.0 -0.69 -0.8052 -0.977 3187289 PK04_093151 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H14 compound treatment 2932484.211 -969000.0 -1.05 2929700.508 -591000.0 -0.61 -1.1777 -0.9673 3068375 PK04_093152 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H15 compound treatment 3441161.435 -461000.0 -0.5 2620316.327 -901000.0 -0.94 -1.0151 -0.9567 3187290 PK04_093153 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H16 compound treatment 3799653.386 -102000.0 -0.11 3378165.877 -143000.0 -0.15 -0.1832 -0.9896 3187291 PK04_093154 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H17 compound treatment 3415107.759 -487000.0 -0.53 2983129.412 -538000.0 -0.56 -0.7684 -0.9996 3068378 PK04_093155 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H18 compound treatment 3626052.632 -276000.0 -0.3 3333063.559 -188000.0 -0.2 -0.3495 -0.9787 3187292 PK04_093156 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H19 mock treatment 3938758.621 37000.0 0.04 3394404.082 -127000.0 -0.13 -0.0646 -0.4701 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H20 mock treatment 3813277.778 -88500.0 -0.1 3096526.549 -424000.0 -0.44 -0.3798 -0.8412 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H21 compound treatment 2966173.516 -936000.0 -1.01 2185162.5 -1340000.0 -1.39 -1.6991 -0.9881 3187293 PK04_093157 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H22 compound treatment 3318957.082 -583000.0 -0.63 2681134.199 -840000.0 -0.87 -1.0641 -0.9874 3068380 PK04_093158 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H23 compound treatment 3430760.0 -471000.0 -0.51 2955072.519 -566000.0 -0.59 -0.777 -0.9975 3068402 PK04_093159 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 H24 compound treatment 2493169.399 -1410000.0 -1.53 2157882.353 -1360000.0 -1.42 -2.0818 -0.9993 3187294 PK04_093160 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I01 compound treatment 3284860.759 -617000.0 -0.67 2571205.405 -950000.0 -0.99 -1.171 -0.982 3068406 PK04_093161 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I02 compound treatment 4089466.102 188000.0 0.2 3080840.336 -440000.0 -0.46 -0.1796 -0.3586 3187295 PK04_093162 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I03 compound treatment 4820422.727 919000.0 1.0 3188697.778 -332000.0 -0.35 0.4601 0.4365 3068409 PK04_093163 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I04 compound treatment 4195095.436 293000.0 0.32 3465727.679 -55200.0 -0.06 0.1843 0.5703 3187296 PK04_093164 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I05 mock treatment 4499401.709 598000.0 0.65 3837593.074 317000.0 0.33 0.6909 0.9507 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I06 mock treatment 3906544.248 4770.0 0.01 3569744.076 48800.0 0.05 0.0395 0.7752 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I07 compound treatment 4384346.491 483000.0 0.52 3570860.987 49900.0 0.05 0.4067 0.7734 3187297 PK04_093165 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I08 compound treatment 3704385.593 -197000.0 -0.21 3281600.0 -239000.0 -0.25 -0.3272 -0.9972 3068413 PK04_093166 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I09 compound treatment 3331537.688 -570000.0 -0.62 2787247.573 -734000.0 -0.76 -0.9764 -0.9946 3187298 PK04_093167 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I10 compound treatment 3488687.225 -413000.0 -0.45 3666613.333 146000.0 0.15 -0.2096 -0.4434 3187366 PK04_093168 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I11 compound treatment 4516014.085 614000.0 0.67 3841137.168 320000.0 0.33 0.7063 0.9486 3068416 PK04_093169 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I12 compound treatment 3602717.489 -299000.0 -0.32 2953341.991 -568000.0 -0.59 -0.6465 -0.9603 3187367 PK04_093170 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I13 compound treatment 3909520.325 7750.0 0.01 3156692.607 -364000.0 -0.38 -0.2618 -0.6912 3068419 PK04_093171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I14 compound treatment 3662811.475 -239000.0 -0.26 3365753.488 -155000.0 -0.16 -0.2973 -0.974 3187368 PK04_093172 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I15 compound treatment 3337416.988 -564000.0 -0.61 3115122.137 -406000.0 -0.42 -0.731 -0.9835 3068421 PK04_093173 COC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I16 compound treatment 3420666.667 -481000.0 -0.52 3015378.788 -506000.0 -0.53 -0.7404 -1.0 3187369 PK04_093174 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I17 compound treatment 3477410.569 -424000.0 -0.46 3430123.552 -90800.0 -0.09 -0.3921 -0.8348 3068423 PK04_093175 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I18 compound treatment 3795211.155 -107000.0 -0.12 2974896.396 -546000.0 -0.57 -0.483 -0.8339 3187370 PK04_093176 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I19 compound treatment 3594528.139 -307000.0 -0.33 3034143.969 -487000.0 -0.51 -0.5933 -0.9794 3187371 PK04_093177 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I20 compound treatment 3463604.563 -438000.0 -0.48 3156933.054 -364000.0 -0.38 -0.6035 -0.9936 3068425 PK04_093178 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I21 mock treatment 3998852.399 97100.0 0.11 3290959.276 -230000.0 -0.24 -0.0946 -0.3622 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I22 mock treatment 4078206.278 176000.0 0.19 3279793.249 -241000.0 -0.25 -0.042 -0.1331 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I23 compound treatment 4014873.832 113000.0 0.12 3467638.211 -53300.0 -0.06 0.0475 0.3533 3187372 PK04_093179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 I24 compound treatment 3336843.602 -565000.0 -0.61 2790713.115 -730000.0 -0.76 -0.9698 -0.9943 3068456 PK04_093180 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J01 compound treatment 3320065.476 -582000.0 -0.63 2713971.429 -807000.0 -0.84 -1.0391 -0.9901 3187373 PK04_093181 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J02 compound treatment 4267494.444 366000.0 0.4 3532366.197 11400.0 0.01 0.2888 0.728 3187374 PK04_093182 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J03 compound treatment 4973282.297 1070000.0 1.16 3931949.541 411000.0 0.43 1.1236 0.9077 3068460 PK04_093183 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J04 compound treatment 4678323.529 777000.0 0.84 4179986.301 659000.0 0.69 1.0798 0.9948 3187375 PK04_093184 COCCCNC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J05 mock treatment 5789663.415 1890000.0 2.05 4796842.105 1280000.0 1.33 2.3852 0.9779 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J06 mock treatment 5423363.248 1520000.0 1.65 6075596.244 2550000.0 2.66 3.0442 0.9738 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J07 compound treatment 4415100.0 513000.0 0.56 3759290.837 238000.0 0.25 0.5687 0.9335 3187376 PK04_093185 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J08 compound treatment 4078740.088 177000.0 0.19 3820300.0 299000.0 0.31 0.3557 0.973 3068463 PK04_093186 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J09 compound treatment 4168685.446 267000.0 0.29 4033640.187 513000.0 0.53 0.5815 0.9588 3187377 PK04_093187 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J10 compound treatment 3086541.436 -815000.0 -0.88 2567421.875 -954000.0 -0.99 -1.3258 -0.9984 3068465 PK04_093188 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J11 compound treatment 3782189.873 -120000.0 -0.13 3204704.545 -316000.0 -0.33 -0.3241 -0.9173 3187378 PK04_093189 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J12 compound treatment 4492908.73 591000.0 0.64 3614807.692 93900.0 0.1 0.5222 0.8055 3068467 PK04_093190 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J13 compound treatment 3528933.921 -373000.0 -0.4 2746351.111 -775000.0 -0.81 -0.8552 -0.9492 3187379 PK04_093191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J14 compound treatment 3183087.302 -719000.0 -0.78 2648046.296 -873000.0 -0.91 -1.1926 -0.9971 3187380 PK04_093192 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J15 compound treatment 3844641.026 -57100.0 -0.06 3285339.207 -236000.0 -0.24 -0.217 -0.8589 3068470 PK04_093193 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J16 compound treatment 2751455.696 -1150000.0 -1.25 4120039.823 599000.0 0.62 -0.4416 -0.3168 3187381 PK04_093194 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J17 compound treatment 3599626.866 -302000.0 -0.33 2950766.129 -570000.0 -0.59 -0.6507 -0.9609 3187382 PK04_093195 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J18 compound treatment 2204063.584 -1700000.0 -1.84 2009456.522 -1510000.0 -1.57 -2.4125 -0.9969 3068473 PK04_093196 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J19 compound treatment 3750716.216 -151000.0 -0.16 3026666.667 -494000.0 -0.51 -0.4791 -0.8885 3187383 PK04_093197 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J20 compound treatment 3682930.693 -219000.0 -0.24 2980014.545 -541000.0 -0.56 -0.5654 -0.9264 3068475 PK04_093198 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J21 mock treatment 3764833.333 -137000.0 -0.15 3114178.862 -407000.0 -0.42 -0.4039 -0.9015 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J22 mock treatment 3639206.522 -263000.0 -0.28 3052643.154 -468000.0 -0.49 -0.5455 -0.9674 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J23 compound treatment 3659670.455 -242000.0 -0.26 2854930.657 -666000.0 -0.69 -0.6751 -0.9119 3187384 PK04_093199 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 J24 compound treatment 3056216.45 -846000.0 -0.92 2353360.656 -1170000.0 -1.21 -1.5064 -0.9904 3068477 PK04_093200 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K01 compound treatment 3945985.646 44200.0 0.05 3664558.952 144000.0 0.15 0.1395 0.8894 3187385 PK04_093201 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K02 compound treatment 4143893.72 242000.0 0.26 3769151.394 248000.0 0.26 0.3681 1.0 3187386 PK04_093202 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K03 compound treatment 4271233.962 369000.0 0.4 3619036.199 98100.0 0.1 0.3554 0.8597 3187447 PK04_093203 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K04 compound treatment 4243077.821 341000.0 0.37 3853132.231 332000.0 0.35 0.5058 0.9994 3068500 PK04_093204 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K05 compound treatment 3496184.314 -406000.0 -0.44 3140837.004 -380000.0 -0.4 -0.5903 -0.9986 3187448 PK04_093205 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K06 compound treatment 2713488.372 -1190000.0 -1.29 2388122.642 -1130000.0 -1.18 -1.7436 -0.999 3187449 PK04_093206 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K07 mock treatment 4211568.182 310000.0 0.34 3643600.0 123000.0 0.13 0.3277 0.912 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K08 mock treatment 4015352.0 114000.0 0.12 3776518.939 256000.0 0.27 0.2749 0.9389 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K09 compound treatment 4187578.261 286000.0 0.31 3923164.659 402000.0 0.42 0.5148 0.9891 3068503 PK04_093207 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K10 compound treatment 3578625.954 -323000.0 -0.35 3565535.971 44600.0 0.05 -0.215 -0.6083 3187450 PK04_093208 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K11 compound treatment 3719308.55 -182000.0 -0.2 3308162.264 -213000.0 -0.22 -0.2963 -0.9985 3068506 PK04_093209 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K12 compound treatment 3732353.488 -169000.0 -0.18 3285825.472 -235000.0 -0.24 -0.3027 -0.9901 3187451 PK04_093210 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K13 compound treatment 4031799.257 130000.0 0.14 3312077.236 -209000.0 -0.22 -0.0538 -0.2079 3187452 PK04_093211 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K14 compound treatment 3589976.378 -312000.0 -0.34 3048769.874 -472000.0 -0.49 -0.5861 -0.9834 3068509 PK04_093212 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K15 mock treatment 4049253.968 147000.0 0.16 3643935.185 123000.0 0.13 0.2035 0.9938 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K16 mock treatment 3927565.401 25800.0 0.03 3555086.758 34100.0 0.04 0.0449 0.993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K17 compound treatment 3747217.687 -155000.0 -0.17 3572215.613 51300.0 0.05 -0.0808 -0.4595 3187453 PK04_093213 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K18 compound treatment 3853988.142 -47800.0 -0.05 3347943.548 -173000.0 -0.18 -0.1638 -0.8752 3187454 PK04_093214 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K19 compound treatment 2912716.981 -989000.0 -1.07 2605147.059 -916000.0 -0.95 -1.4314 -0.9982 3068511 PK04_093215 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K20 compound treatment 3551765.152 -350000.0 -0.38 3329299.18 -192000.0 -0.2 -0.4092 -0.9547 3187455 PK04_093216 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K21 compound treatment 3682824.373 -219000.0 -0.24 3413683.019 -107000.0 -0.11 -0.2467 -0.9406 3068513 PK04_093217 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K22 compound treatment 4008457.143 107000.0 0.12 3063821.862 -457000.0 -0.48 -0.2542 -0.5198 3187456 PK04_093218 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K23 mock treatment 4106654.472 205000.0 0.22 3623937.759 103000.0 0.11 0.2328 0.944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 K24 mock treatment 3619960.63 -282000.0 -0.31 3355425.62 -166000.0 -0.17 -0.3377 -0.9631 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L01 compound treatment 3741955.0 -160000.0 -0.17 3306285.714 -215000.0 -0.22 -0.2803 -0.9922 3187457 PK04_093219 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L02 compound treatment 3896351.759 -5420.0 -0.01 3405445.344 -115000.0 -0.12 -0.089 -0.7408 3068516 PK04_093220 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L03 compound treatment 5134614.754 1230000.0 1.34 4516012.876 995000.0 1.03 1.6766 0.992 3187458 PK04_093221 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L04 compound treatment 4958453.39 1060000.0 1.15 4669926.606 1150000.0 1.19 1.6546 0.9998 3187459 PK04_093222 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L05 compound treatment 4068409.692 167000.0 0.18 3477872.727 -43100.0 -0.04 0.0961 0.5163 3068518 PK04_093223 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L06 compound treatment 3909546.125 7770.0 0.01 3304393.519 -217000.0 -0.23 -0.1532 -0.6802 3187460 PK04_093224 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L07 mock treatment 4596735.915 695000.0 0.75 3581786.667 60800.0 0.06 0.5775 0.7638 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L08 mock treatment 4435208.661 533000.0 0.58 3385026.201 -136000.0 -0.14 0.3091 0.5191 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L09 compound treatment 3550979.339 -351000.0 -0.38 2710228.155 -811000.0 -0.84 -0.8648 -0.9354 3068520 PK04_093225 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L10 compound treatment 4068746.835 167000.0 0.18 3873437.768 352000.0 0.37 0.3871 0.9472 3187461 PK04_093226 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L11 compound treatment 3763322.034 -138000.0 -0.15 2961865.801 -559000.0 -0.58 -0.5171 -0.8615 3187462 PK04_093227 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L12 compound treatment 3808740.741 -93000.0 -0.1 4075647.577 555000.0 0.58 0.3364 0.5747 3187463 PK04_093228 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L13 compound treatment 3524819.383 -377000.0 -0.41 2661583.333 -859000.0 -0.89 -0.9206 -0.9372 3068543 PK04_093229 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L14 compound treatment 3417122.881 -485000.0 -0.53 2694680.751 -826000.0 -0.86 -0.9789 -0.9722 3187464 PK04_093230 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L15 mock treatment 3970995.984 69200.0 0.08 3562931.034 42000.0 0.04 0.0839 0.9667 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L16 mock treatment 3953511.719 51700.0 0.06 3583549.18 62600.0 0.07 0.0857 0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L17 compound treatment 4097443.262 196000.0 0.21 3613109.091 92200.0 0.1 0.2178 0.9355 3068545 PK04_093231 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L18 compound treatment 3254284.585 -647000.0 -0.7 2813943.775 -707000.0 -0.73 -1.016 -0.9997 3187465 PK04_093232 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L19 compound treatment 3970739.13 69000.0 0.07 3539609.848 18700.0 0.02 0.0666 0.8621 3187466 PK04_093233 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L20 compound treatment 3713445.946 -188000.0 -0.2 3295618.519 -225000.0 -0.23 -0.31 -0.9977 3068547 PK04_093234 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L21 compound treatment 3169011.952 -733000.0 -0.79 2551381.41 -970000.0 -1.01 -1.2744 -0.9931 3187467 PK04_093235 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L22 compound treatment 3349485.05 -552000.0 -0.6 2656847.176 -864000.0 -0.9 -1.0585 -0.9806 3068549 PK04_093236 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L23 mock treatment 3892347.17 -9430.0 -0.01 3254342.466 -267000.0 -0.28 -0.2032 -0.7327 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 L24 mock treatment 3777537.19 -124000.0 -0.13 3112344.398 -409000.0 -0.42 -0.3956 -0.8878 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M01 compound treatment 2973709.016 -928000.0 -1.01 2843298.246 -678000.0 -0.7 -1.2096 -0.9848 3187528 PK04_093237 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M02 compound treatment 3446457.627 -455000.0 -0.49 3068596.226 -452000.0 -0.47 -0.6815 -0.9997 3187529 PK04_093238 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M03 compound treatment 3492517.51 -409000.0 -0.44 3109962.343 -411000.0 -0.43 -0.6158 -0.9998 3068551 PK04_093239 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M04 compound treatment 3781794.872 -120000.0 -0.13 3442379.447 -78600.0 -0.08 -0.1497 -0.9748 3187530 PK04_093240 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M05 compound treatment 3445097.674 -457000.0 -0.5 3211656.652 -309000.0 -0.32 -0.5774 -0.9781 3068553 PK04_093241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M06 compound treatment 3304069.959 -598000.0 -0.65 3064642.599 -456000.0 -0.47 -0.7936 -0.9882 3187531 PK04_093242 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M07 compound treatment 3005687.5 -896000.0 -0.97 2893791.506 -627000.0 -0.65 -1.148 -0.9812 3187532 PK04_093243 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M08 compound treatment 2510465.686 -1390000.0 -1.51 2375809.129 -1150000.0 -1.19 -1.9083 -0.9931 3068555 PK04_093244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M09 mock treatment 3403008.403 -499000.0 -0.54 2821379.913 -700000.0 -0.73 -0.8966 -0.9894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M10 mock treatment 3275934.156 -626000.0 -0.68 3022174.107 -499000.0 -0.52 -0.8464 -0.9912 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M11 compound treatment 3305740.876 -596000.0 -0.65 3151148.551 -370000.0 -0.38 -0.7288 -0.9692 3187533 PK04_093245 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M12 compound treatment 2760469.388 -1140000.0 -1.24 2762677.165 -758000.0 -0.79 -1.4323 -0.9763 3187534 PK04_093246 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M13 mock treatment 3187268.0 -715000.0 -0.77 2963527.027 -557000.0 -0.58 -0.9575 -0.9898 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M14 mock treatment 3222149.425 -680000.0 -0.74 3031948.0 -489000.0 -0.51 -0.8805 -0.9836 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M15 compound treatment 3091411.067 -810000.0 -0.88 2881836.735 -639000.0 -0.66 -1.091 -0.9905 3068558 PK04_093247 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M16 compound treatment 3174710.938 -727000.0 -0.79 3207515.789 -313000.0 -0.33 -0.7878 -0.9236 3187535 PK04_093248 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M17 compound treatment 3008291.139 -893000.0 -0.97 2877414.729 -644000.0 -0.67 -1.158 -0.9836 3068560 PK04_093249 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M18 compound treatment 3369775.1 -532000.0 -0.58 2742731.884 -778000.0 -0.81 -0.9798 -0.9863 3187536 PK04_093250 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M19 compound treatment 3058958.904 -843000.0 -0.91 2757439.85 -763000.0 -0.79 -1.2073 -0.9975 3187537 PK04_093251 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M20 compound treatment 3071926.316 -830000.0 -0.9 2930068.841 -591000.0 -0.61 -1.0705 -0.9827 3068562 PK04_093252 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCOCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M21 compound treatment 3536592.275 -365000.0 -0.4 2929000.0 -592000.0 -0.62 -0.715 -0.9773 3068586 PK04_093253 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M22 compound treatment 3121421.245 -780000.0 -0.85 2584295.547 -937000.0 -0.97 -1.2867 -0.9976 3187538 PK04_093254 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M23 compound treatment 2275284.672 -1630000.0 -1.76 1916578.014 -1600000.0 -1.67 -2.4262 -0.9996 3068589 PK04_093255 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 M24 compound treatment 2255938.272 -1650000.0 -1.78 2156635.945 -1360000.0 -1.42 -2.2646 -0.9935 3187539 PK04_093256 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N01 compound treatment 3641420.792 -260000.0 -0.28 3020334.728 -501000.0 -0.52 -0.5675 -0.9587 3187540 PK04_093257 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N02 compound treatment 2819656.41 -1080000.0 -1.17 2968652.695 -552000.0 -0.57 -1.2356 -0.9459 3187541 PK04_093258 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N03 compound treatment 4114639.269 213000.0 0.23 3578812.808 57900.0 0.06 0.2057 0.8626 3068594 PK04_093259 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CC=C)C3=O)[C@@H](O2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N04 compound treatment 4192710.425 291000.0 0.32 4293826.087 773000.0 0.8 0.7911 0.9166 3187542 PK04_093260 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N05 compound treatment 3343320.0 -558000.0 -0.61 4068778.195 548000.0 0.57 -0.0255 -0.0307 3068597 PK04_093261 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N06 compound treatment 4042614.35 141000.0 0.15 3949022.642 428000.0 0.44 0.4226 0.8984 3187543 PK04_093262 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N07 compound treatment 3312681.452 -589000.0 -0.64 3049582.96 -471000.0 -0.49 -0.7981 -0.9914 3187544 PK04_093263 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CC=C)C3=O)[C@H](O2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N08 compound treatment 3088795.455 -813000.0 -0.88 2796506.912 -724000.0 -0.75 -1.1557 -0.9969 3068600 PK04_093264 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N09 mock treatment 3830257.143 -71500.0 -0.08 3504307.018 -16600.0 -0.02 -0.0671 -0.844 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N10 mock treatment 3620435.115 -281000.0 -0.31 3548154.135 27200.0 0.03 -0.1957 -0.6388 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N11 compound treatment 3400613.383 -501000.0 -0.54 3287299.663 -234000.0 -0.24 -0.556 -0.9341 3187545 PK04_093265 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N12 compound treatment 3741424.242 -160000.0 -0.17 3261351.449 -260000.0 -0.27 -0.3137 -0.9774 3187546 PK04_093266 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N13 mock treatment 3533643.636 -368000.0 -0.4 3252633.188 -268000.0 -0.28 -0.4794 -0.9846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N14 mock treatment 3549552.529 -352000.0 -0.38 3166897.527 -354000.0 -0.37 -0.5303 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N15 compound treatment 3519538.136 -382000.0 -0.41 2681363.309 -840000.0 -0.87 -0.9101 -0.9421 3068603 PK04_093267 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N16 compound treatment 3487050.36 -415000.0 -0.45 3246109.272 -275000.0 -0.29 -0.52 -0.976 3187547 PK04_093268 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N17 compound treatment 2864165.414 -1040000.0 -1.13 2367625.0 -1150000.0 -1.2 -1.6432 -0.9995 3068605 PK04_093269 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N18 compound treatment 3240524.664 -661000.0 -0.72 2435330.677 -1090000.0 -1.13 -1.3049 -0.976 3187548 PK04_093270 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N19 compound treatment 3233457.746 -668000.0 -0.72 2919459.184 -601000.0 -0.63 -0.9545 -0.9973 3068607 PK04_093271 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N20 compound treatment 3285863.281 -616000.0 -0.67 3293339.223 -228000.0 -0.24 -0.6395 -0.9026 3186297 PK04_093272 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N21 compound treatment 2762829.932 -1140000.0 -1.23 2677806.154 -843000.0 -0.88 -1.4929 -0.9859 3186298 PK04_093273 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CC=C)C3=O)[C@@H](O2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N22 compound treatment 3194882.562 -707000.0 -0.77 2886626.923 -634000.0 -0.66 -1.0082 -0.9972 3068610 PK04_093274 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N23 compound treatment 2493011.321 -1410000.0 -1.53 2420199.234 -1100000.0 -1.14 -1.8891 -0.9899 3068635 PK04_093275 CC(=O)N1Cc2ccccc2C[C@]3(N=C(O[C@@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 N24 compound treatment 2613055.351 -1290000.0 -1.4 2632900.0 -888000.0 -0.92 -1.6407 -0.9797 3186299 PK04_093276 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O01 compound treatment 2539965.812 -1360000.0 -1.48 2346384.615 -1170000.0 -1.22 -1.9074 -0.9955 3068638 PK04_093277 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O02 compound treatment 3163466.165 -738000.0 -0.8 3020215.19 -501000.0 -0.52 -0.9341 -0.9783 3186300 PK04_093278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O03 compound treatment 2733491.803 -1170000.0 -1.27 2902350.598 -619000.0 -0.64 -1.3504 -0.9506 3068640 PK04_093279 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O04 compound treatment 4207988.048 306000.0 0.33 3544490.272 23600.0 0.02 0.2521 0.7572 3186301 PK04_093280 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O05 compound treatment 3800420.168 -101000.0 -0.11 3087638.225 -433000.0 -0.45 -0.3962 -0.8546 3068642 PK04_093281 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O06 compound treatment 4096850.427 195000.0 0.21 3084378.906 -437000.0 -0.45 -0.1713 -0.3422 3186302 PK04_093282 COCCCNC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O07 compound treatment 3709359.833 -192000.0 -0.21 3017585.185 -503000.0 -0.52 -0.5175 -0.9187 3186303 PK04_093283 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O08 compound treatment 3768991.736 -133000.0 -0.14 3211597.458 -309000.0 -0.32 -0.3292 -0.9343 3068645 PK04_093284 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O09 compound treatment 2995113.537 -907000.0 -0.98 2092962.687 -1430000.0 -1.48 -1.7447 -0.98 3186304 PK04_093285 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O10 compound treatment 3150996.633 -751000.0 -0.81 2852649.606 -668000.0 -0.69 -1.0668 -0.9969 3186305 PK04_093286 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O11 mock treatment 3695692.593 -206000.0 -0.22 3561582.375 40600.0 0.04 -0.1281 -0.5634 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O12 mock treatment 3979861.111 78100.0 0.08 3273007.663 -248000.0 -0.26 -0.1224 -0.4511 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O13 compound treatment 2749782.101 -1150000.0 -1.25 2343026.549 -1180000.0 -1.22 -1.749 -1.0 3068648 PK04_093287 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O14 compound treatment 3674510.288 -227000.0 -0.25 3007475.0 -513000.0 -0.53 -0.5516 -0.9384 3186306 PK04_093288 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O15 compound treatment 3245785.714 -656000.0 -0.71 2618631.579 -902000.0 -0.94 -1.1661 -0.9907 3068650 PK04_093289 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O16 compound treatment 3490418.699 -411000.0 -0.45 2935448.63 -585000.0 -0.61 -0.7457 -0.9883 3186307 PK04_093290 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O17 compound treatment 3068692.683 -833000.0 -0.9 2344392.027 -1180000.0 -1.22 -1.5034 -0.9889 3186308 PK04_093291 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O18 compound treatment 3501359.184 -400000.0 -0.43 3113895.307 -407000.0 -0.42 -0.6062 -0.9999 3068652 PK04_093292 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O19 compound treatment 2950748.175 -951000.0 -1.03 2303013.289 -1220000.0 -1.27 -1.6243 -0.9948 3186309 PK04_093293 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O20 compound treatment 2944244.344 -958000.0 -1.04 2381751.131 -1140000.0 -1.18 -1.5714 -0.9979 3068654 PK04_093294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O21 compound treatment 2662439.024 -1240000.0 -1.34 2391454.237 -1130000.0 -1.17 -1.7803 -0.9977 3186310 PK04_093295 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O22 compound treatment 3475132.0 -427000.0 -0.46 3098977.011 -422000.0 -0.44 -0.6372 -0.9996 3186311 PK04_093296 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O23 compound treatment 3294597.701 -607000.0 -0.66 3185493.464 -335000.0 -0.35 -0.7121 -0.9558 3068656 PK04_093297 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 O24 compound treatment 2648981.752 -1250000.0 -1.36 1998154.362 -1520000.0 -1.58 -2.0797 -0.9971 3186312 PK04_093298 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P01 compound treatment 2861119.048 -1040000.0 -1.13 2685995.652 -835000.0 -0.87 -1.4115 -0.9916 3186313 PK04_093299 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P02 compound treatment 2674796.296 -1230000.0 -1.33 2613220.884 -908000.0 -0.94 -1.6079 -0.9858 3186314 PK04_093300 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P03 compound treatment 2849533.632 -1050000.0 -1.14 2873995.595 -647000.0 -0.67 -1.2822 -0.9682 3067960 PK04_093301 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P04 compound treatment 2794451.613 -1110000.0 -1.2 2044806.867 -1480000.0 -1.53 -1.9339 -0.9926 3186315 PK04_093302 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P05 compound treatment 2644604.563 -1260000.0 -1.36 2614647.436 -906000.0 -0.94 -1.63 -0.9837 3186316 PK04_093303 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P06 compound treatment 2997739.669 -904000.0 -0.98 2336313.043 -1180000.0 -1.23 -1.5638 -0.9936 3067963 PK04_093304 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P07 compound treatment 3284528.889 -617000.0 -0.67 2628462.185 -892000.0 -0.93 -1.1292 -0.9872 3186317 PK04_093305 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P08 compound treatment 2965628.205 -936000.0 -1.02 2527742.424 -993000.0 -1.03 -1.4477 -1.0 3186362 PK04_093306 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P09 compound treatment 3120877.119 -781000.0 -0.85 2766951.22 -754000.0 -0.78 -1.1529 -0.9993 3067965 PK04_093307 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P10 compound treatment 3320891.473 -581000.0 -0.63 2994912.281 -526000.0 -0.55 -0.832 -0.9975 3186363 PK04_093308 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P11 mock treatment 3054558.052 -847000.0 -0.92 2719868.421 -801000.0 -0.83 -1.2383 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P12 mock treatment 3442130.112 -460000.0 -0.5 2974723.14 -546000.0 -0.57 -0.7539 -0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P13 compound treatment 2560225.0 -1340000.0 -1.45 1933032.491 -1590000.0 -1.65 -2.1956 -0.998 3186364 PK04_093309 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P14 compound treatment 3062960.854 -839000.0 -0.91 2314681.319 -1210000.0 -1.25 -1.5297 -0.9876 3067968 PK04_093310 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P15 compound treatment 2972969.811 -929000.0 -1.01 2490308.244 -1030000.0 -1.07 -1.4696 -0.9995 3186365 PK04_093311 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P16 compound treatment 2948755.245 -953000.0 -1.03 2537983.471 -983000.0 -1.02 -1.4531 -1.0 3186366 PK04_093312 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P17 compound treatment 2352913.907 -1550000.0 -1.68 1800659.091 -1720000.0 -1.79 -2.4519 -0.9995 3067970 PK04_093313 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P18 compound treatment 3142451.064 -759000.0 -0.82 2680150.0 -841000.0 -0.87 -1.2001 -0.9996 3186367 PK04_093314 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P19 compound treatment 2130784.232 -1770000.0 -1.92 1757818.898 -1760000.0 -1.83 -2.6537 -0.9997 3067972 PK04_093315 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CC=C)C3=O)[C@H](O2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P20 compound treatment 2553606.426 -1350000.0 -1.46 2199527.586 -1320000.0 -1.37 -2.0048 -0.9995 3186368 PK04_093316 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P21 compound treatment 1927344.353 -1970000.0 -2.14 1742681.682 -1780000.0 -1.85 -2.8208 -0.9973 3067974 PK04_093317 CC(=O)N1Cc2ccccc2C[C@@]3(N=C(O[C@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P22 compound treatment 2317744.548 -1580000.0 -1.72 2280203.008 -1240000.0 -1.29 -2.1264 -0.99 3186369 PK04_093318 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P23 compound treatment 2314474.926 -1590000.0 -1.72 2259854.89 -1260000.0 -1.31 -2.1438 -0.991 3067976 PK04_093319 CC(=O)N1Cc2ccccc2C[C@@]3(COC(=N3)c4ccc(OCCCO)cc4)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2093 P24 compound treatment 2217418.773 -1680000.0 -1.83 2198775.0 -1320000.0 -1.37 -2.2631 -0.9902 3186370 PK04_093320 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A01 compound treatment 2174082.707 -722000.0 -0.78 2670960.526 -443000.0 -0.46 -0.8793 -0.9681 3186371 PK04_094001 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A02 compound treatment 2890104.265 -5800.0 -0.01 3437062.802 323000.0 0.34 0.2327 0.6937 3067979 PK04_094002 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A03 compound treatment 2949804.511 53900.0 0.06 3305411.29 191000.0 0.2 0.1817 0.878 3068002 PK04_094003 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A04 compound treatment 3288207.031 392000.0 0.43 3463927.966 350000.0 0.36 0.5577 0.9969 3186372 PK04_094004 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A05 compound treatment 3066626.168 171000.0 0.19 3373956.938 260000.0 0.27 0.3217 0.9831 3068007 PK04_094005 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A06 compound treatment 2249672.269 -646000.0 -0.7 2891361.345 -223000.0 -0.23 -0.6594 -0.8934 3186373 PK04_094006 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A07 compound treatment 2789012.552 -107000.0 -0.12 2924726.891 -190000.0 -0.2 -0.2213 -0.968 3186374 PK04_094007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A08 compound treatment 2555350.785 -341000.0 -0.37 2792227.513 -322000.0 -0.33 -0.4979 -0.9988 3068010 PK04_094008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A09 compound treatment 2749709.924 -146000.0 -0.16 3087560.748 -26800.0 -0.03 -0.1318 -0.8188 3186375 PK04_094009 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A10 compound treatment 2663067.797 -233000.0 -0.25 2759067.708 -355000.0 -0.37 -0.4396 -0.9828 3068013 PK04_094010 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A11 compound treatment 2621485.437 -274000.0 -0.3 2936652.406 -178000.0 -0.18 -0.341 -0.9737 3186376 PK04_094011 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A12 compound treatment 2536593.525 -359000.0 -0.39 3048420.091 -65900.0 -0.07 -0.3239 -0.8189 3186377 PK04_094012 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A13 mock treatment 2797743.802 -98200.0 -0.11 3401029.126 287000.0 0.3 0.1354 0.4281 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A14 mock treatment 2762991.903 -133000.0 -0.14 3410279.621 296000.0 0.31 0.1156 0.3403 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A15 compound treatment 2310216.216 -586000.0 -0.64 2806798.283 -308000.0 -0.32 -0.6751 -0.9495 3068016 PK04_094013 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A16 compound treatment 2861509.091 -34400.0 -0.04 2965099.099 -149000.0 -0.16 -0.1361 -0.8528 3186378 PK04_094014 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A17 compound treatment 2728148.148 -168000.0 -0.18 3183913.636 69600.0 0.07 -0.0775 -0.3959 3068018 PK04_094015 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A18 compound treatment 2107251.101 -789000.0 -0.86 2642704.082 -472000.0 -0.49 -0.9513 -0.9651 3186379 PK04_094016 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A19 compound treatment 2246574.899 -649000.0 -0.7 2836836.634 -278000.0 -0.29 -0.7018 -0.9224 3186380 PK04_094017 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A20 compound treatment 2121914.286 -774000.0 -0.84 2548027.149 -566000.0 -0.59 -1.0096 -0.985 3068020 PK04_094018 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A21 compound treatment 2615008.097 -281000.0 -0.3 2992748.858 -122000.0 -0.13 -0.3047 -0.9241 3186381 PK04_094019 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A22 compound treatment 2438567.766 -457000.0 -0.5 2657117.241 -457000.0 -0.48 -0.6867 -0.9998 3186437 PK04_094020 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A23 compound treatment 2512834.586 -383000.0 -0.42 2785939.516 -328000.0 -0.34 -0.5351 -0.9953 3068021 PK04_094021 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 A24 compound treatment 2566596.838 -329000.0 -0.36 2526521.127 -588000.0 -0.61 -0.6845 -0.9673 3186438 PK04_094022 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B01 compound treatment 2959072.34 63200.0 0.07 3964064.22 850000.0 0.88 0.6729 0.7597 3186439 PK04_094023 CCCN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B02 compound treatment 3560684.211 665000.0 0.72 3737172.775 623000.0 0.65 0.9674 0.9986 3089331 PK04_094024 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B03 compound treatment 3357476.19 462000.0 0.5 3745389.163 631000.0 0.66 0.8177 0.9911 3068022 PK04_094025 CCCN1C(=O)[C@]2(Cc3ccccc13)N=C(O[C@@H]2c4ccccc4)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B04 compound treatment 2802275.093 -93600.0 -0.1 2936208.333 -178000.0 -0.19 -0.2027 -0.96 3089332 PK04_094026 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B05 compound treatment 2935890.688 40000.0 0.04 3691425.234 577000.0 0.6 0.4548 0.7562 3186440 PK04_094027 CCCN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B06 compound treatment 2415027.397 -481000.0 -0.52 2977005.051 -137000.0 -0.14 -0.4696 -0.8687 3000708 PK04_094028 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B07 compound treatment 2911783.41 15900.0 0.02 3571273.585 457000.0 0.47 0.348 0.7323 3068023 PK04_094029 CN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B08 compound treatment 3219146.825 323000.0 0.35 3304554.167 190000.0 0.2 0.3876 0.9633 3089333 PK04_094030 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B09 compound treatment 2936314.159 40400.0 0.04 3419396.226 305000.0 0.32 0.2552 0.7972 3186441 PK04_094031 CN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B10 compound treatment 2006244.0 -890000.0 -0.96 2221362.869 -893000.0 -0.93 -1.3384 -0.9998 3089654 PK04_094032 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B11 compound treatment 2911344.978 15400.0 0.02 3338923.469 225000.0 0.23 0.1769 0.7559 3186442 PK04_094033 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B12 compound treatment 2480907.317 -415000.0 -0.45 3163267.38 48900.0 0.05 -0.2822 -0.6232 3089334 PK04_094034 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B13 mock treatment 3040135.021 144000.0 0.16 3300103.96 186000.0 0.19 0.2471 0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B14 mock treatment 3107236.0 211000.0 0.23 3454723.005 340000.0 0.35 0.4122 0.9779 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B15 compound treatment 3287902.128 392000.0 0.43 3570111.111 456000.0 0.47 0.6355 0.9985 3068024 PK04_094035 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B16 compound treatment 2678061.674 -218000.0 -0.24 2682061.475 -432000.0 -0.45 -0.4847 -0.9549 3000709 PK04_094036 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B17 compound treatment 3117623.377 222000.0 0.24 3142278.884 27900.0 0.03 0.1905 0.7868 3186443 PK04_094037 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B18 compound treatment 2957459.677 61600.0 0.07 3668758.824 554000.0 0.58 0.4547 0.7838 3089363 PK04_094038 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B19 compound treatment 2525714.286 -370000.0 -0.4 3300601.01 186000.0 0.19 -0.1469 -0.3297 3068025 PK04_094039 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B20 compound treatment 2810541.485 -85400.0 -0.09 2842047.21 -272000.0 -0.28 -0.2656 -0.8919 3089652 PK04_094040 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B21 compound treatment 2674073.77 -222000.0 -0.24 2983713.693 -131000.0 -0.14 -0.2661 -0.9634 3186444 PK04_094041 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B22 compound treatment 2276425.101 -619000.0 -0.67 2525457.143 -589000.0 -0.61 -0.9078 -0.9989 3089653 PK04_094042 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B23 compound treatment 2322844.828 -573000.0 -0.62 2615984.127 -498000.0 -0.52 -0.8057 -0.9959 3186445 PK04_094043 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 B24 compound treatment 2618250.936 -278000.0 -0.3 2953622.222 -161000.0 -0.17 -0.331 -0.9614 3089657 PK04_094044 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C01 compound treatment 2814556.42 -81300.0 -0.09 3190981.818 76600.0 0.08 -0.006 -0.0509 3068026 PK04_094045 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C02 compound treatment 2764159.091 -132000.0 -0.14 3153821.918 39500.0 0.04 -0.072 -0.4845 3068051 PK04_094046 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C03 compound treatment 3100910.853 205000.0 0.22 3103004.717 -11400.0 -0.01 0.1488 0.6686 3068052 PK04_094047 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C04 compound treatment 3174573.913 279000.0 0.3 3455180.905 341000.0 0.35 0.4642 0.9969 3068053 PK04_094048 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCOCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C05 compound treatment 2753140.969 -143000.0 -0.15 3058965.517 -55400.0 -0.06 -0.1502 -0.9093 3068054 PK04_094049 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C06 compound treatment 2408818.182 -487000.0 -0.53 3075508.403 -38800.0 -0.04 -0.402 -0.759 3186446 PK04_094050 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C07 compound treatment 2835838.843 -60100.0 -0.07 3294938.053 181000.0 0.19 0.0867 0.4362 3068055 PK04_094051 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C08 compound treatment 2389220.833 -507000.0 -0.55 2853320.513 -261000.0 -0.27 -0.5803 -0.9471 3186447 PK04_094052 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C09 compound treatment 2202966.102 -693000.0 -0.75 2506805.825 -608000.0 -0.63 -0.9778 -0.9963 3068056 PK04_094053 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C10 compound treatment 2136555.066 -759000.0 -0.82 2426500.0 -688000.0 -0.71 -1.0877 -0.9975 3186448 PK04_094054 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C11 mock treatment 2470323.077 -426000.0 -0.46 2887194.03 -227000.0 -0.24 -0.4932 -0.9516 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C12 mock treatment 2542346.457 -354000.0 -0.38 2935921.659 -178000.0 -0.19 -0.4022 -0.9445 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C13 compound treatment 2364604.938 -531000.0 -0.58 2902914.163 -211000.0 -0.22 -0.5627 -0.9127 3186449 PK04_094055 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C14 compound treatment 2310461.538 -585000.0 -0.63 2883837.438 -231000.0 -0.24 -0.6183 -0.9113 3068057 PK04_094056 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C15 mock treatment 2444941.86 -451000.0 -0.49 3010466.667 -104000.0 -0.11 -0.4221 -0.843 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C16 mock treatment 2252660.714 -643000.0 -0.7 2689179.167 -425000.0 -0.44 -0.8057 -0.9758 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C17 compound treatment 2265694.118 -630000.0 -0.68 2795321.429 -319000.0 -0.33 -0.7177 -0.9449 3186450 PK04_094057 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C18 compound treatment 2267763.485 -628000.0 -0.68 2734440.758 -380000.0 -0.39 -0.7608 -0.9664 3186451 PK04_094058 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C19 compound treatment 2302954.717 -593000.0 -0.64 2795891.386 -318000.0 -0.33 -0.6887 -0.9524 3068058 PK04_094059 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C20 compound treatment 1943686.411 -952000.0 -1.03 2281147.679 -833000.0 -0.87 -1.3424 -0.9962 3186452 PK04_094060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C21 compound treatment 2445372.093 -451000.0 -0.49 2889127.854 -225000.0 -0.23 -0.511 -0.9433 3068059 PK04_094061 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C22 compound treatment 2519560.0 -376000.0 -0.41 2752663.755 -362000.0 -0.38 -0.5544 -0.9992 3186453 PK04_094062 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C23 compound treatment 2644460.0 -251000.0 -0.27 2568007.663 -546000.0 -0.57 -0.5943 -0.9435 3186454 PK04_094063 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 C24 compound treatment 2157929.577 -738000.0 -0.8 2393008.734 -721000.0 -0.75 -1.096 -0.9995 3068060 PK04_094064 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D01 compound treatment 2509334.586 -387000.0 -0.42 3080604.255 -33800.0 -0.04 -0.3212 -0.7636 3186455 PK04_094065 CN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D02 compound treatment 2856995.516 -38900.0 -0.04 3137718.75 23400.0 0.02 -0.0127 -0.2601 3000713 PK04_094066 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D03 compound treatment 2763586.614 -132000.0 -0.14 3158190.0 43800.0 0.05 -0.0692 -0.4599 3186456 PK04_094067 CCCN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D04 compound treatment 3101250.996 205000.0 0.22 2985702.929 -129000.0 -0.13 0.0629 0.2421 3089658 PK04_094068 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D05 compound treatment 2291748.936 -604000.0 -0.66 2808736.842 -306000.0 -0.32 -0.6878 -0.9448 3068061 PK04_094069 CCCN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D06 compound treatment 2664454.198 -231000.0 -0.25 2824982.379 -289000.0 -0.3 -0.3901 -0.9959 3089659 PK04_094070 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D07 compound treatment 2319720.0 -576000.0 -0.62 2665896.552 -448000.0 -0.47 -0.7714 -0.9896 3186457 PK04_094071 CCCN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D08 compound treatment 2176615.385 -719000.0 -0.78 2785830.579 -329000.0 -0.34 -0.7929 -0.9313 3089664 PK04_094072 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D09 compound treatment 2563145.749 -333000.0 -0.36 2917708.134 -197000.0 -0.2 -0.3997 -0.9638 3068062 PK04_094073 CCCN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D10 compound treatment 2237423.488 -658000.0 -0.71 2585939.024 -528000.0 -0.55 -0.8932 -0.9916 3000714 PK04_094074 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D11 mock treatment 2657916.318 -238000.0 -0.26 2824908.257 -289000.0 -0.3 -0.3952 -0.9971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D12 mock treatment 2579313.725 -317000.0 -0.34 2540672.0 -574000.0 -0.6 -0.6644 -0.9656 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D13 compound treatment 1991033.457 -905000.0 -0.98 2380584.906 -734000.0 -0.76 -1.2331 -0.9922 3186504 PK04_094075 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D14 compound treatment 2214964.158 -681000.0 -0.74 2438362.934 -676000.0 -0.7 -1.0189 -0.9997 3089660 PK04_094076 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D15 mock treatment 2495038.911 -401000.0 -0.43 2496400.81 -618000.0 -0.64 -0.7615 -0.9819 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D16 mock treatment 2391105.263 -505000.0 -0.55 2506944.251 -607000.0 -0.63 -0.8335 -0.9975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D17 compound treatment 2160889.734 -735000.0 -0.8 2274960.63 -839000.0 -0.87 -1.1805 -0.999 3186505 PK04_094077 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D18 compound treatment 2408729.73 -487000.0 -0.53 2422695.833 -692000.0 -0.72 -0.8819 -0.9885 3000715 PK04_094078 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D19 compound treatment 2149107.011 -747000.0 -0.81 2183026.936 -931000.0 -0.97 -1.2571 -0.9961 3068063 PK04_094079 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D20 compound treatment 2436887.16 -459000.0 -0.5 2476157.088 -638000.0 -0.66 -0.821 -0.99 3089662 PK04_094080 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D21 compound treatment 2181703.846 -714000.0 -0.77 2337115.88 -777000.0 -0.81 -1.1188 -0.9998 3186506 PK04_094081 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D22 compound treatment 2510469.636 -385000.0 -0.42 2749894.068 -364000.0 -0.38 -0.5634 -0.9988 3000716 PK04_094082 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D23 compound treatment 2267760.331 -628000.0 -0.68 2365626.556 -749000.0 -0.78 -1.0319 -0.9978 3068064 PK04_094083 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 D24 compound treatment 2275104.072 -621000.0 -0.67 2435050.691 -679000.0 -0.71 -0.9752 -0.9997 3000811 PK04_094084 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E01 mock treatment 3213150.628 317000.0 0.34 3602004.975 488000.0 0.51 0.6016 0.9822 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E02 mock treatment 3425776.786 530000.0 0.57 3531724.299 417000.0 0.43 0.713 0.9904 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E03 compound treatment 3641938.849 746000.0 0.81 4022806.167 908000.0 0.94 1.2397 0.997 3186507 PK04_094085 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E04 compound treatment 3132718.367 237000.0 0.26 3170310.345 56000.0 0.06 0.2227 0.8458 3186508 PK04_094086 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E05 compound treatment 3399685.039 504000.0 0.55 3638130.612 524000.0 0.54 0.7712 1.0 3068065 PK04_094087 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E06 compound treatment 2899834.101 3930.0 0.0 3020788.462 -93600.0 -0.1 -0.0658 -0.6755 3186509 PK04_094088 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E07 compound treatment 3209055.777 313000.0 0.34 3264594.714 150000.0 0.16 0.3505 0.9379 3068066 PK04_094089 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E08 compound treatment 3203123.967 307000.0 0.33 3428942.478 315000.0 0.33 0.4668 1.0 3186510 PK04_094090 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E09 mock treatment 2958816.239 62900.0 0.07 3218536.036 104000.0 0.11 0.1248 0.9752 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E10 mock treatment 3007476.19 112000.0 0.12 2959434.043 -155000.0 -0.16 -0.0283 -0.1406 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E11 compound treatment 2879897.119 -16000.0 -0.02 2772438.095 -342000.0 -0.36 -0.2636 -0.7408 3186511 PK04_094091 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E12 compound treatment 3170083.333 274000.0 0.3 3084875.502 -29500.0 -0.03 0.1885 0.6309 3068067 PK04_094092 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E13 compound treatment 2968382.143 72500.0 0.08 3340419.811 226000.0 0.23 0.2217 0.8949 3186512 PK04_094093 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E14 compound treatment 2945337.121 49400.0 0.05 3242852.459 128000.0 0.13 0.1323 0.9196 3068068 PK04_094094 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E15 compound treatment 3032634.981 137000.0 0.15 3191325.103 77000.0 0.08 0.1614 0.9581 3186513 PK04_094095 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E16 compound treatment 2805285.223 -90600.0 -0.1 3438099.099 324000.0 0.34 0.1685 0.4806 3068069 PK04_094096 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E17 mock treatment 2794328.814 -102000.0 -0.11 3114408.922 53.4 0.0 -0.0778 -0.7068 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E18 mock treatment 2779032.609 -117000.0 -0.13 3135638.655 21300.0 0.02 -0.074 -0.575 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E19 compound treatment 2932406.475 36500.0 0.04 2993517.11 -121000.0 -0.13 -0.0608 -0.4619 3186514 PK04_094097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E20 compound treatment 2463388.316 -433000.0 -0.47 2857622.449 -257000.0 -0.27 -0.5203 -0.9643 3186515 PK04_094098 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E21 compound treatment 2420296.875 -476000.0 -0.52 2943344.828 -171000.0 -0.18 -0.4903 -0.8989 3068070 PK04_094099 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E22 compound treatment 2617322.835 -279000.0 -0.3 3061995.745 -52400.0 -0.05 -0.2521 -0.8213 3186516 PK04_094100 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E23 compound treatment 2647349.81 -249000.0 -0.27 3030989.13 -83400.0 -0.09 -0.2518 -0.8896 3068071 PK04_094101 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 E24 compound treatment 2850748.768 -45200.0 -0.05 3244403.67 130000.0 0.14 0.061 0.424 3186517 PK04_094102 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F01 mock treatment 3320679.654 425000.0 0.46 4096321.608 982000.0 1.02 1.0474 0.9354 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F02 mock treatment 3863764.192 968000.0 1.05 4236967.593 1120000.0 1.17 1.5671 0.9986 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F03 compound treatment 3213543.21 318000.0 0.34 3513827.309 399000.0 0.42 0.5371 0.9957 3068072 PK04_094103 CN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F04 compound treatment 3186329.545 290000.0 0.31 2855930.0 -258000.0 -0.27 0.0327 0.0791 3000813 PK04_094104 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F05 compound treatment 2544703.812 -351000.0 -0.38 2892545.139 -222000.0 -0.23 -0.4323 -0.9711 3186518 PK04_094105 CN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F06 compound treatment 2562480.427 -333000.0 -0.36 2745064.0 -369000.0 -0.38 -0.5271 -0.9996 3000814 PK04_094106 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F07 compound treatment 2804865.801 -91000.0 -0.1 2695934.694 -418000.0 -0.43 -0.3773 -0.8461 3186519 PK04_094107 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F08 compound treatment 3118225.806 222000.0 0.24 2768608.856 -346000.0 -0.36 -0.0837 -0.1933 3089667 PK04_094108 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F09 mock treatment 2964820.611 68900.0 0.07 3430322.222 316000.0 0.33 0.2851 0.8464 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F10 mock treatment 3004251.938 108000.0 0.12 3424629.482 310000.0 0.32 0.3111 0.9064 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F11 compound treatment 2379678.082 -516000.0 -0.56 2677936.508 -436000.0 -0.45 -0.7165 -0.9946 3068073 PK04_094109 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F12 compound treatment 2330777.778 -565000.0 -0.61 2411291.367 -703000.0 -0.73 -0.95 -0.9962 3089654 PK04_094110 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F13 compound treatment 2377548.936 -518000.0 -0.56 2343581.967 -771000.0 -0.8 -0.9639 -0.985 3186520 PK04_094111 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F14 compound treatment 2228000.0 -668000.0 -0.72 2224392.982 -890000.0 -0.93 -1.1662 -0.9927 3089708 PK04_094112 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F15 compound treatment 2550399.24 -346000.0 -0.37 2842212.5 -272000.0 -0.28 -0.4649 -0.9904 3186521 PK04_094113 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F16 compound treatment 2842971.774 -52900.0 -0.06 2286243.151 -828000.0 -0.86 -0.6492 -0.7526 3000817 PK04_094114 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F17 mock treatment 2578907.051 -317000.0 -0.34 2905172.549 -209000.0 -0.22 -0.3968 -0.9756 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F18 mock treatment 2457155.34 -439000.0 -0.48 2962512.821 -152000.0 -0.16 -0.448 -0.8938 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F19 compound treatment 2135089.494 -761000.0 -0.82 2390772.414 -724000.0 -0.75 -1.1151 -0.9989 3068074 PK04_094115 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F20 compound treatment 2711277.778 -185000.0 -0.2 2766500.0 -348000.0 -0.36 -0.3972 -0.9611 3089709 PK04_094116 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F21 compound treatment 2331407.407 -564000.0 -0.61 2679467.32 -435000.0 -0.45 -0.7524 -0.9889 3186522 PK04_094117 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F22 compound treatment 2576792.453 -319000.0 -0.35 2389934.028 -724000.0 -0.75 -0.7771 -0.9378 3000821 PK04_094118 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F23 compound treatment 2403952.381 -492000.0 -0.53 2794031.746 -320000.0 -0.33 -0.6126 -0.9743 3186523 PK04_094119 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 F24 compound treatment 3011199.052 115000.0 0.13 2477153.846 -637000.0 -0.66 -0.3799 -0.5637 3089711 PK04_094120 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G01 compound treatment 3065572.614 170000.0 0.18 3377275.229 263000.0 0.27 0.3233 0.9815 3068075 PK04_094121 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G02 compound treatment 3552464.844 657000.0 0.71 3464382.979 350000.0 0.36 0.7606 0.9514 3186524 PK04_094122 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G03 mock treatment 3362779.592 467000.0 0.51 3365172.414 251000.0 0.26 0.5423 0.9524 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G04 mock treatment 3134637.45 239000.0 0.26 3350393.305 236000.0 0.25 0.3565 0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G05 compound treatment 3050561.538 155000.0 0.17 3062854.331 -51500.0 -0.05 0.0807 0.4586 3186575 PK04_094123 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G06 compound treatment 3090340.249 194000.0 0.21 2782134.021 -332000.0 -0.35 -0.0951 -0.2351 3186576 PK04_094124 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G07 compound treatment 3067867.188 172000.0 0.19 2665320.69 -449000.0 -0.47 -0.1982 -0.3943 3068110 PK04_094125 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G08 compound treatment 2863180.392 -32700.0 -0.04 3123125.49 8770.0 0.01 -0.0186 -0.5089 3186577 PK04_094126 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G09 compound treatment 2560458.015 -335000.0 -0.36 2485151.852 -629000.0 -0.65 -0.7196 -0.9616 3068111 PK04_094127 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G10 compound treatment 2907261.649 11400.0 0.01 2936937.269 -177000.0 -0.18 -0.1217 -0.6584 3186578 PK04_094128 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G11 compound treatment 2791323.625 -105000.0 -0.11 3021744.444 -92600.0 -0.1 -0.1482 -0.9967 3186579 PK04_094129 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G12 compound treatment 3172033.708 276000.0 0.3 2950831.373 -164000.0 -0.17 0.0915 0.2658 3068112 PK04_094130 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G13 compound treatment 2915992.337 20100.0 0.02 2886916.129 -227000.0 -0.24 -0.1518 -0.6392 3186580 PK04_094131 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCCN3CCOCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G14 compound treatment 2906042.918 10100.0 0.01 2805285.714 -309000.0 -0.32 -0.2194 -0.6825 3186581 PK04_094132 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G15 compound treatment 2737377.483 -159000.0 -0.17 2756322.709 -358000.0 -0.37 -0.3847 -0.9384 3068113 PK04_094133 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G16 compound treatment 2600871.711 -295000.0 -0.32 2541178.03 -573000.0 -0.6 -0.6475 -0.9575 3186582 PK04_094134 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G17 compound treatment 2706177.632 -190000.0 -0.21 2886352.941 -228000.0 -0.24 -0.313 -0.9975 3186583 PK04_094135 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G18 compound treatment 2430415.094 -465000.0 -0.5 2330680.0 -784000.0 -0.81 -0.9329 -0.9735 3068114 PK04_094136 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G19 mock treatment 2995755.639 99900.0 0.11 2929340.741 -185000.0 -0.19 -0.0594 -0.2693 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G20 mock treatment 2971924.528 76000.0 0.08 2924904.29 -189000.0 -0.2 -0.081 -0.3792 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G21 compound treatment 2846159.851 -49700.0 -0.05 3122430.233 8070.0 0.01 -0.0322 -0.59 3186584 PK04_094137 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G22 compound treatment 3208984.906 313000.0 0.34 3474395.522 360000.0 0.37 0.5047 0.9988 3068115 PK04_094138 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G23 compound treatment 2785192.171 -111000.0 -0.12 3236696.203 122000.0 0.13 0.005 0.0288 3186585 PK04_094139 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 G24 compound treatment 2806023.148 -89900.0 -0.1 3181478.632 67100.0 0.07 -0.0196 -0.1633 3186586 PK04_094140 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H01 compound treatment 3288872.093 393000.0 0.43 3309912.442 196000.0 0.2 0.445 0.9427 3068116 PK04_094141 CCCN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H02 compound treatment 3928806.604 1030000.0 1.12 3983970.874 870000.0 0.9 1.4311 0.9944 3000914 PK04_094142 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H03 mock treatment 3834374.486 938000.0 1.02 4159930.233 1050000.0 1.09 1.488 0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H04 mock treatment 3904293.173 1010000.0 1.09 4113967.136 1000000.0 1.04 1.5078 0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H05 compound treatment 3066255.906 170000.0 0.18 3279483.333 165000.0 0.17 0.252 0.9993 3068117 PK04_094143 CCCN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H06 compound treatment 2613783.898 -282000.0 -0.31 2927791.262 -187000.0 -0.19 -0.3534 -0.9758 3089723 PK04_094144 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H07 compound treatment 3376808.696 481000.0 0.52 3370138.249 256000.0 0.27 0.5567 0.9511 3186589 PK04_094145 CN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H08 compound treatment 2878129.187 -17800.0 -0.02 2989351.464 -125000.0 -0.13 -0.1055 -0.8032 3089724 PK04_094146 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H09 compound treatment 2908559.387 12700.0 0.01 3108554.217 -5800.0 -0.01 0.0054 0.3629 3186590 PK04_094147 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(C(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H10 compound treatment 3353319.149 457000.0 0.5 3589429.167 475000.0 0.49 0.6999 1.0 3000917 PK04_094148 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H11 compound treatment 2795880.0 -100000.0 -0.11 2704615.385 -410000.0 -0.43 -0.3778 -0.8597 3068119 PK04_094149 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H12 compound treatment 2732276.68 -164000.0 -0.18 2565287.879 -549000.0 -0.57 -0.529 -0.8851 3089768 PK04_094150 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H13 compound treatment 2474869.565 -421000.0 -0.46 2363056.769 -751000.0 -0.78 -0.875 -0.9673 3186593 PK04_094151 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H14 compound treatment 2980581.967 84700.0 0.09 3072750.0 -41600.0 -0.04 0.0343 0.3384 3089763 PK04_094152 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H15 compound treatment 2854650.206 -41300.0 -0.04 2718470.817 -396000.0 -0.41 -0.3226 -0.7794 3186594 PK04_094153 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H16 compound treatment 3144402.174 248000.0 0.27 2915325.103 -199000.0 -0.21 0.0442 0.1302 3089764 PK04_094154 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H17 compound treatment 2865563.707 -30300.0 -0.03 2749746.711 -365000.0 -0.38 -0.2912 -0.7656 3068121 PK04_094155 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(C(=O)c5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H18 compound treatment 3310860.294 415000.0 0.45 2883275.591 -231000.0 -0.24 0.1483 0.2908 3000919 PK04_094156 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H19 mock treatment 3034090.909 138000.0 0.15 2756734.628 -358000.0 -0.37 -0.1569 -0.3915 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H20 mock treatment 3119210.526 223000.0 0.24 3009825.623 -105000.0 -0.11 0.0944 0.3556 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H21 compound treatment 2767795.848 -128000.0 -0.14 2898136.029 -216000.0 -0.22 -0.2571 -0.9733 3068122 PK04_094157 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H22 compound treatment 2935257.937 39400.0 0.04 2930350.806 -184000.0 -0.19 -0.1051 -0.5362 3089766 PK04_094158 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H23 compound treatment 2711295.88 -185000.0 -0.2 2661658.73 -453000.0 -0.47 -0.4743 -0.9275 3068123 PK04_094159 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 H24 compound treatment 2828457.265 -67400.0 -0.07 3096699.074 -17700.0 -0.02 -0.0647 -0.858 3089769 PK04_094160 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I01 compound treatment 3477893.162 582000.0 0.63 3534921.053 421000.0 0.44 0.7553 0.9839 3186651 PK04_094161 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I02 compound treatment 3288302.491 392000.0 0.43 3467091.787 353000.0 0.37 0.5601 0.9973 3068124 PK04_094162 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I03 compound treatment 2891392.857 -4510.0 0.0 3340439.815 226000.0 0.23 0.1627 0.6922 3186652 PK04_094163 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I04 compound treatment 2704862.385 -191000.0 -0.21 2461889.381 -652000.0 -0.68 -0.626 -0.8828 3068125 PK04_094164 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I05 mock treatment 3164661.479 269000.0 0.29 3086493.671 -27900.0 -0.03 0.1856 0.6337 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I06 mock treatment 2905932.806 10000.0 0.01 3002697.872 -112000.0 -0.12 -0.0744 -0.6381 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I07 compound treatment 2724000.0 -172000.0 -0.19 2887406.977 -227000.0 -0.24 -0.2986 -0.9932 3186653 PK04_094165 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I08 compound treatment 2767063.973 -129000.0 -0.14 2842423.488 -272000.0 -0.28 -0.2986 -0.9472 3068126 PK04_094166 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I09 compound treatment 2728859.259 -167000.0 -0.18 2638428.571 -476000.0 -0.49 -0.4779 -0.9071 3186654 PK04_094167 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I10 compound treatment 2634545.455 -261000.0 -0.28 2480838.284 -634000.0 -0.66 -0.666 -0.929 3068572 PK04_094168 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I11 compound treatment 2795874.046 -100000.0 -0.11 2805761.134 -309000.0 -0.32 -0.3035 -0.8963 3186655 PK04_094169 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I12 compound treatment 2290284.091 -606000.0 -0.66 2295287.736 -819000.0 -0.85 -1.0663 -0.9918 3186656 PK04_094170 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I13 compound treatment 2109947.619 -786000.0 -0.85 2122610.092 -992000.0 -1.03 -1.3315 -0.9955 3068573 PK04_094171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I14 compound treatment 2728384.328 -168000.0 -0.18 2676061.224 -438000.0 -0.46 -0.4506 -0.9187 3186657 PK04_094172 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I15 compound treatment 2704540.084 -191000.0 -0.21 2515882.353 -598000.0 -0.62 -0.5866 -0.8945 3068574 PK04_094173 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I16 compound treatment 2248467.681 -647000.0 -0.7 2115398.268 -999000.0 -1.04 -1.2306 -0.9818 3186658 PK04_094174 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I17 compound treatment 2215509.225 -680000.0 -0.74 2207432.653 -907000.0 -0.94 -1.1882 -0.9926 3186659 PK04_094175 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I18 compound treatment 2518890.625 -377000.0 -0.41 2549080.153 -565000.0 -0.59 -0.7045 -0.9843 3068575 PK04_094176 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I19 compound treatment 2789196.364 -107000.0 -0.12 2690267.101 -424000.0 -0.44 -0.3935 -0.8635 3186660 PK04_094177 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I20 compound treatment 2426338.583 -470000.0 -0.51 2685927.203 -428000.0 -0.45 -0.6749 -0.9978 3068577 PK04_094178 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I21 mock treatment 2555176.471 -341000.0 -0.37 2715011.811 -399000.0 -0.42 -0.5547 -0.9983 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I22 mock treatment 2608639.706 -287000.0 -0.31 2871895.349 -242000.0 -0.25 -0.3984 -0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I23 compound treatment 2845392.694 -50500.0 -0.05 2908038.023 -206000.0 -0.21 -0.1904 -0.8601 3186661 PK04_094179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 I24 compound treatment 2237204.545 -659000.0 -0.71 2444585.551 -670000.0 -0.7 -0.9973 -0.9999 3186662 PK04_094180 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J01 compound treatment 3850971.074 955000.0 1.04 4248475.728 1130000.0 1.18 1.5658 0.9979 3068611 PK04_094181 CN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J02 compound treatment 3001589.212 106000.0 0.11 3034495.833 -79900.0 -0.08 0.0223 0.1578 3089770 PK04_094182 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J03 compound treatment 3183673.469 288000.0 0.31 3827364.929 713000.0 0.74 0.7447 0.9261 3068612 PK04_094183 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J04 compound treatment 3131102.679 235000.0 0.26 3102197.479 -12200.0 -0.01 0.1714 0.6712 3001007 PK04_094184 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J05 mock treatment 3062737.762 167000.0 0.18 3604264.069 490000.0 0.51 0.488 0.903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J06 mock treatment 3158911.29 263000.0 0.29 3540334.842 426000.0 0.44 0.5147 0.9774 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J07 compound treatment 2611580.153 -284000.0 -0.31 3013649.789 -101000.0 -0.1 -0.292 -0.8969 3186665 PK04_094185 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J08 compound treatment 3033302.92 137000.0 0.15 2984491.525 -130000.0 -0.13 0.0099 0.0492 3089771 PK04_094186 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J09 compound treatment 2620532.0 -275000.0 -0.3 2849238.095 -265000.0 -0.28 -0.406 -0.9992 3186666 PK04_094187 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J10 compound treatment 2713927.203 -182000.0 -0.2 2956098.361 -158000.0 -0.16 -0.2558 -0.9959 3089776 PK04_094188 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J11 compound treatment 2805939.271 -90000.0 -0.1 2800710.204 -314000.0 -0.33 -0.2995 -0.8801 3068615 PK04_094189 CCCN1C(=O)[C@]2(COC(=N2)c3ccc(OCCCO)cc3)Cc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J12 compound treatment 2691174.089 -205000.0 -0.22 2810731.518 -304000.0 -0.32 -0.3801 -0.9852 3001011 PK04_094190 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J13 compound treatment 2219282.869 -677000.0 -0.73 2554294.643 -560000.0 -0.58 -0.9304 -0.9934 3068616 PK04_094191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J14 compound treatment 2357730.216 -538000.0 -0.58 2903274.194 -211000.0 -0.22 -0.5678 -0.9107 3089772 PK04_094192 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J15 compound treatment 2556409.449 -339000.0 -0.37 2379630.952 -735000.0 -0.76 -0.8003 -0.944 3068617 PK04_094193 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J16 compound treatment 2536658.621 -359000.0 -0.39 2571575.875 -543000.0 -0.56 -0.6744 -0.9836 3089773 PK04_094194 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J17 compound treatment 2392513.725 -503000.0 -0.55 2622593.496 -492000.0 -0.51 -0.7474 -0.9995 3186732 PK04_094195 CN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J18 compound treatment 2344417.625 -551000.0 -0.6 2444988.679 -669000.0 -0.7 -0.9148 -0.9972 3089774 PK04_094196 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J19 compound treatment 2725031.69 -171000.0 -0.19 2574313.208 -540000.0 -0.56 -0.5279 -0.8931 3186733 PK04_094197 CCCN1C(=O)[C@@]2(Cc3ccccc13)N=C(O[C@H]2c4ccccc4)c5ccc(OCCCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J20 compound treatment 2617932.384 -278000.0 -0.3 2602670.683 -512000.0 -0.53 -0.5892 -0.9638 3089775 PK04_094198 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J21 mock treatment 2520668.896 -375000.0 -0.41 2510448.387 -604000.0 -0.63 -0.7315 -0.978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J22 mock treatment 2601353.791 -295000.0 -0.32 2749003.61 -365000.0 -0.38 -0.4944 -0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J23 compound treatment 2583067.138 -313000.0 -0.34 2587448.276 -527000.0 -0.55 -0.6271 -0.9735 3068619 PK04_094199 COC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 J24 compound treatment 2298910.448 -597000.0 -0.65 2287354.839 -827000.0 -0.86 -1.0655 -0.9902 3089828 PK04_094200 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K01 compound treatment 2861584.27 -34300.0 -0.04 2849772.0 -265000.0 -0.28 -0.2208 -0.7955 3068620 PK04_094201 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K02 compound treatment 3233113.924 337000.0 0.37 3448198.312 334000.0 0.35 0.5039 0.9997 3186736 PK04_094202 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K03 compound treatment 3086682.274 191000.0 0.21 3178293.68 63900.0 0.07 0.1933 0.8895 3186737 PK04_094203 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K04 compound treatment 3460108.844 564000.0 0.61 3415540.984 301000.0 0.31 0.6539 0.9516 3068660 PK04_094204 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K05 compound treatment 3246464.419 351000.0 0.38 3373210.526 259000.0 0.27 0.459 0.9857 3186738 PK04_094205 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K06 compound treatment 3104938.697 209000.0 0.23 2821483.766 -293000.0 -0.3 -0.055 -0.1449 3068661 PK04_094206 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K07 mock treatment 3122551.37 227000.0 0.25 2973251.938 -141000.0 -0.15 0.0701 0.2448 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K08 mock treatment 2962611.888 66700.0 0.07 2975041.353 -139000.0 -0.14 -0.0512 -0.3166 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K09 compound treatment 2967649.635 71700.0 0.08 2640708.487 -474000.0 -0.49 -0.2931 -0.5881 3186739 PK04_094207 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K10 compound treatment 3147195.652 251000.0 0.27 2819876.254 -294000.0 -0.31 -0.0238 -0.058 3186740 PK04_094208 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K11 compound treatment 2965215.139 69300.0 0.08 2891348.921 -223000.0 -0.23 -0.1108 -0.4546 3068664 PK04_094209 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K12 compound treatment 2918176.923 22300.0 0.02 2892541.818 -222000.0 -0.23 -0.146 -0.6296 3186741 PK04_094210 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K13 compound treatment 3075140.684 179000.0 0.19 3199697.368 85300.0 0.09 0.2001 0.9369 3068666 PK04_094211 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K14 compound treatment 1947705.069 -948000.0 -1.03 2889713.45 -225000.0 -0.23 -0.8921 -0.8462 3186742 PK04_094212 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K15 mock treatment 2931438.406 35500.0 0.04 2847439.56 -267000.0 -0.28 -0.1689 -0.6031 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K16 mock treatment 2927764.493 31900.0 0.03 2695358.621 -419000.0 -0.44 -0.2835 -0.649 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K17 compound treatment 2633869.841 -262000.0 -0.28 2640954.861 -473000.0 -0.49 -0.5488 -0.9659 3186743 PK04_094213 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K18 compound treatment 2573448.399 -322000.0 -0.35 2513704.225 -601000.0 -0.62 -0.6887 -0.9625 3068667 PK04_094214 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K19 compound treatment 2734834.891 -161000.0 -0.17 3060844.622 -53500.0 -0.06 -0.1628 -0.8883 3186744 PK04_094215 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K20 compound treatment 2876232.472 -19700.0 -0.02 2929726.087 -185000.0 -0.19 -0.1508 -0.7809 3186745 PK04_094216 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K21 compound treatment 2782669.118 -113000.0 -0.12 2708647.841 -406000.0 -0.42 -0.385 -0.8766 3068668 PK04_094217 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K22 compound treatment 2744280.645 -152000.0 -0.16 2921285.714 -193000.0 -0.2 -0.2581 -0.9951 3186746 PK04_094218 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K23 mock treatment 3144239.044 248000.0 0.27 3242763.838 128000.0 0.13 0.2848 0.9476 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 K24 mock treatment 2922446.215 26500.0 0.03 2995542.254 -119000.0 -0.12 -0.067 -0.5282 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L01 compound treatment 3872483.333 977000.0 1.06 4269027.907 1150000.0 1.2 1.5974 0.998 3068669 PK04_094219 CCOC(=O)N1C(N=C(N1C(=O)OCC)c2ccc(OCCCO)cc2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L02 compound treatment 3686540.23 791000.0 0.86 3661963.134 548000.0 0.57 1.0087 0.9802 3001020 PK04_094220 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L03 compound treatment 3852969.957 957000.0 1.04 4034146.552 920000.0 0.96 1.4098 0.9992 3068670 PK04_094221 COCCCNC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L04 compound treatment 3463185.654 567000.0 0.62 3132699.153 18300.0 0.02 0.4484 0.7287 3089829 PK04_094222 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L05 compound treatment 3904992.032 1010000.0 1.09 3871980.989 758000.0 0.79 1.3305 0.987 3186813 PK04_094223 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L06 compound treatment 3226162.162 330000.0 0.36 2538266.667 -576000.0 -0.6 -0.1702 -0.244 3001022 PK04_094224 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L07 mock treatment 3538785.992 643000.0 0.7 3612696.864 498000.0 0.52 0.8592 0.9893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L08 mock treatment 3609263.345 713000.0 0.77 3603920.502 490000.0 0.51 0.9067 0.9794 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L09 compound treatment 3230472.527 335000.0 0.36 3339555.085 225000.0 0.23 0.422 0.9775 3067926 PK04_094225 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L10 compound treatment 2659888.476 -236000.0 -0.26 3277476.596 163000.0 0.17 -0.0611 -0.1989 3089768 PK04_094226 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L11 compound treatment 3245022.727 349000.0 0.38 3260645.669 146000.0 0.15 0.3752 0.9197 3186815 PK04_094227 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L12 compound treatment 2958211.896 62300.0 0.07 2739602.23 -375000.0 -0.39 -0.2277 -0.5759 3089830 PK04_094228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L13 compound treatment 3003538.462 108000.0 0.12 3196296.992 81900.0 0.09 0.1427 0.988 3067927 PK04_094229 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L14 compound treatment 2889171.93 -6730.0 -0.01 3301394.191 187000.0 0.19 0.1323 0.6801 3089831 PK04_094230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L15 mock treatment 3175546.763 280000.0 0.3 3409461.794 295000.0 0.31 0.4313 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L16 mock treatment 3014588.652 119000.0 0.13 3355326.446 241000.0 0.25 0.2681 0.9521 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L17 compound treatment 3015289.474 119000.0 0.13 3366934.615 253000.0 0.26 0.2772 0.9469 3067928 PK04_094231 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L18 compound treatment 2994391.304 98500.0 0.11 3045987.654 -68400.0 -0.07 0.0253 0.1969 3001180 PK04_094232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L19 compound treatment 2871017.301 -24900.0 -0.03 3226053.846 112000.0 0.12 0.063 0.5287 3067929 PK04_094233 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L20 compound treatment 3084059.649 188000.0 0.2 3197883.459 83500.0 0.09 0.2056 0.9275 3001092 PK04_094234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L21 compound treatment 3031371.237 135000.0 0.15 3086375.758 -28000.0 -0.03 0.0833 0.5563 3067930 PK04_094235 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L22 compound treatment 3105383.212 209000.0 0.23 3380069.091 266000.0 0.28 0.3559 0.9953 3001093 PK04_094236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L23 mock treatment 2817423.488 -78500.0 -0.09 3118778.116 4420.0 0.0 -0.0569 -0.6679 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 L24 mock treatment 2748010.989 -148000.0 -0.16 3116694.656 2340.0 0.0 -0.1117 -0.6963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M01 compound treatment 2292301.038 -604000.0 -0.65 2447782.772 -667000.0 -0.69 -0.9527 -0.9996 3067931 PK04_094237 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M02 compound treatment 2901268.293 5360.0 0.01 3251651.341 137000.0 0.14 0.105 0.7353 3186821 PK04_094238 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M03 compound treatment 2803503.65 -92400.0 -0.1 2929856.089 -184000.0 -0.19 -0.2064 -0.9542 3067933 PK04_094239 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M04 compound treatment 3031236.301 135000.0 0.15 3052949.275 -61400.0 -0.06 0.0586 0.3664 3186822 PK04_094240 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCCN3CCOCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M05 compound treatment 2988739.927 92800.0 0.1 2997013.986 -117000.0 -0.12 -0.0151 -0.0953 3067934 PK04_094241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M06 compound treatment 2799965.517 -95900.0 -0.1 2985641.509 -129000.0 -0.13 -0.1682 -0.9923 3186823 PK04_094242 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M07 compound treatment 2116690.476 -779000.0 -0.84 2425712.062 -689000.0 -0.72 -1.1036 -0.9966 3186824 PK04_094243 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M08 compound treatment 2307573.826 -588000.0 -0.64 2356557.621 -758000.0 -0.79 -1.008 -0.9945 3186825 PK04_094244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M09 mock treatment 2492667.82 -403000.0 -0.44 2756610.687 -358000.0 -0.37 -0.5721 -0.9968 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M10 mock treatment 2676007.692 -220000.0 -0.24 2711628.975 -403000.0 -0.42 -0.4646 -0.9644 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M11 compound treatment 2293955.72 -602000.0 -0.65 2268256.41 -846000.0 -0.88 -1.0834 -0.9892 3067981 PK04_094245 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M12 compound treatment 2599180.769 -297000.0 -0.32 2809657.692 -305000.0 -0.32 -0.4514 -1.0 3186826 PK04_094246 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M13 mock treatment 2722943.662 -173000.0 -0.19 2544992.674 -569000.0 -0.59 -0.5511 -0.8877 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M14 mock treatment 2626233.449 -270000.0 -0.29 2635313.869 -479000.0 -0.5 -0.5588 -0.9678 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M15 compound treatment 1741812.766 -1150000.0 -1.25 2039991.525 -1070000.0 -1.12 -1.6745 -0.9984 3067982 PK04_094247 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M16 compound treatment 2356115.385 -540000.0 -0.59 2495803.571 -619000.0 -0.64 -0.8685 -0.9989 3186827 PK04_094248 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M17 compound treatment 2126763.889 -769000.0 -0.83 2319899.642 -794000.0 -0.83 -1.1736 -1.0 3067983 PK04_094249 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M18 compound treatment 2150207.843 -746000.0 -0.81 2358558.233 -756000.0 -0.79 -1.1272 -0.9999 3186828 PK04_094250 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M19 compound treatment 2500812.057 -395000.0 -0.43 2361007.194 -753000.0 -0.78 -0.8566 -0.9597 3186829 PK04_094251 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M20 compound treatment 2427408.088 -468000.0 -0.51 2527363.636 -587000.0 -0.61 -0.7906 -0.9959 3067984 PK04_094252 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M21 compound treatment 2487604.982 -408000.0 -0.44 2828036.63 -286000.0 -0.3 -0.5235 -0.9813 3186907 PK04_094253 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M22 compound treatment 2142801.418 -753000.0 -0.82 2414742.049 -700000.0 -0.73 -1.0916 -0.9983 3067985 PK04_094254 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M23 compound treatment 2269539.855 -626000.0 -0.68 2421645.669 -693000.0 -0.72 -0.9894 -0.9996 3186908 PK04_094255 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 M24 compound treatment 2103873.563 -792000.0 -0.86 2160811.404 -954000.0 -0.99 -1.3081 -0.9975 3186909 PK04_094256 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N01 compound treatment 3051477.912 156000.0 0.17 3490454.545 376000.0 0.39 0.3957 0.9294 3067986 PK04_094257 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N02 compound treatment 3492978.355 597000.0 0.65 3724406.25 610000.0 0.63 0.9061 0.9999 3186910 PK04_094258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N03 compound treatment 3177622.951 282000.0 0.31 3472467.391 358000.0 0.37 0.4792 0.9952 3067987 PK04_094259 CN(C)C(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N04 compound treatment 2748068.441 -148000.0 -0.16 3063945.736 -50400.0 -0.05 -0.1504 -0.8918 3186911 PK04_094260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N05 compound treatment 2805682.927 -90200.0 -0.1 3249180.851 135000.0 0.14 0.0299 0.1751 3414052 PK04_094261 COC(=O)[C@@H]1N=C(O[C@@H]1C)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N06 compound treatment 2873575.758 -22300.0 -0.02 3354270.386 240000.0 0.25 0.1592 0.6355 3186912 PK04_094262 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N07 compound treatment 2899541.502 3640.0 0.0 3087835.294 -26500.0 -0.03 -0.0167 -0.5998 3186913 PK04_094263 OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N08 compound treatment 2697684.615 -198000.0 -0.21 3040317.343 -74000.0 -0.08 -0.2064 -0.9041 1952953 PK04_094264 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N09 mock treatment 2937291.971 41400.0 0.04 3415945.148 302000.0 0.31 0.2534 0.8002 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N10 mock treatment 2885399.293 -10500.0 -0.01 2943723.881 -171000.0 -0.18 -0.1335 -0.751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N11 compound treatment 2737802.326 -158000.0 -0.17 2976133.829 -138000.0 -0.14 -0.2228 -0.9961 3068027 PK04_094265 CC(=O)OC[C@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N12 compound treatment 2297794.776 -598000.0 -0.65 2510584.27 -604000.0 -0.63 -0.9023 -0.9999 3186914 PK04_094266 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N13 mock treatment 2647896.552 -248000.0 -0.27 2869487.705 -245000.0 -0.25 -0.3701 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N14 mock treatment 2764489.362 -131000.0 -0.14 2861822.394 -253000.0 -0.26 -0.2864 -0.9588 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N15 compound treatment 2788820.423 -107000.0 -0.12 2913134.146 -201000.0 -0.21 -0.23 -0.9614 3068028 PK04_094267 CC(=O)OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N16 compound treatment 2548351.648 -348000.0 -0.38 2829716.263 -285000.0 -0.3 -0.4757 -0.9928 3186915 PK04_094268 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N17 compound treatment 2648488.372 -247000.0 -0.27 2755555.147 -359000.0 -0.37 -0.4534 -0.9869 3068029 PK04_094269 CC(=O)OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N18 compound treatment 2405272.727 -491000.0 -0.53 2448889.734 -665000.0 -0.69 -0.8653 -0.9916 1952947 PK04_094270 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@@H](Cc5ccccc5)C/C=C/C[C@H](Cc6ccccc6)C(=O)O[C@@H]14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N19 compound treatment 2476953.737 -419000.0 -0.45 2419957.597 -694000.0 -0.72 -0.8316 -0.9751 3068030 PK04_094271 OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N20 compound treatment 1862479.592 -1030000.0 -1.12 2238311.828 -876000.0 -0.91 -1.4362 -0.9947 3186916 PK04_094272 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N21 compound treatment 2183918.367 -712000.0 -0.77 2664537.764 -450000.0 -0.47 -0.8765 -0.9711 3068031 PK04_094273 CC(=O)OC[C@@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N22 compound treatment 1917114.094 -979000.0 -1.06 2252600.707 -862000.0 -0.9 -1.3838 -0.9964 1952944 PK04_094274 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N23 compound treatment 2274230.241 -622000.0 -0.67 2286791.045 -828000.0 -0.86 -1.0849 -0.9927 3186917 PK04_094275 CC(=O)OC[C@H](C=C)N(Cc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 N24 compound treatment 2163452.107 -732000.0 -0.79 2407927.126 -706000.0 -0.73 -1.0808 -0.9992 3413982 PK04_094276 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O01 compound treatment 2390319.82 -506000.0 -0.55 2772431.718 -342000.0 -0.36 -0.6389 -0.978 3068032 PK04_094277 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O02 compound treatment 2649214.286 -247000.0 -0.27 3004476.793 -110000.0 -0.11 -0.2699 -0.928 3186919 PK04_094278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O03 compound treatment 2769193.22 -127000.0 -0.14 3115239.382 884.0 0.0 -0.0965 -0.7024 3068033 PK04_094279 NC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O04 compound treatment 2549734.043 -346000.0 -0.38 2887061.069 -227000.0 -0.24 -0.4325 -0.9751 3186920 PK04_094280 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O05 compound treatment 2101330.935 -795000.0 -0.86 2301196.429 -813000.0 -0.85 -1.2068 -1.0 3068035 PK04_094281 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O06 compound treatment 2376142.308 -520000.0 -0.56 2618417.355 -496000.0 -0.52 -0.763 -0.999 3186921 PK04_094282 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O07 compound treatment 2088711.679 -807000.0 -0.88 2260210.938 -854000.0 -0.89 -1.2466 -1.0 3186922 PK04_094283 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O08 compound treatment 2592803.448 -303000.0 -0.33 2574296.703 -540000.0 -0.56 -0.6293 -0.9675 3068037 PK04_094284 CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O09 compound treatment 2783332.075 -113000.0 -0.12 2788450.98 -326000.0 -0.34 -0.3258 -0.9049 3186923 PK04_094285 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O10 compound treatment 2147975.207 -748000.0 -0.81 2474593.75 -640000.0 -0.66 -1.0436 -0.9951 3068038 PK04_094286 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O11 mock treatment 2498089.844 -398000.0 -0.43 3203380.769 89000.0 0.09 -0.2396 -0.5431 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O12 mock treatment 2596331.081 -300000.0 -0.32 2893761.404 -221000.0 -0.23 -0.3918 -0.9855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O13 compound treatment 2691655.629 -204000.0 -0.22 2998967.078 -115000.0 -0.12 -0.2414 -0.9585 3186924 PK04_094287 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O14 compound treatment 2261469.649 -634000.0 -0.69 2983959.091 -130000.0 -0.14 -0.5823 -0.8305 3186925 PK04_094288 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O15 compound treatment 2715058.608 -181000.0 -0.2 3161683.594 47300.0 0.05 -0.1039 -0.5138 3187013 PK04_094289 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O16 compound treatment 2159230.263 -737000.0 -0.8 2847152.61 -267000.0 -0.28 -0.7612 -0.9001 3068077 PK04_094290 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O17 compound treatment 2244401.338 -652000.0 -0.71 2702804.348 -412000.0 -0.43 -0.802 -0.9711 3187014 PK04_094291 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O18 compound treatment 2279868.613 -616000.0 -0.67 2410314.286 -704000.0 -0.73 -0.9898 -0.999 3187015 PK04_094292 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O19 compound treatment 1853017.677 -1040000.0 -1.13 2802959.732 -311000.0 -0.32 -1.0284 -0.8744 3068081 PK04_094293 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O20 compound treatment 2035839.623 -860000.0 -0.93 2219031.25 -895000.0 -0.93 -1.3174 -1.0 3187016 PK04_094294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O21 compound treatment 2431149.306 -465000.0 -0.5 2808143.396 -306000.0 -0.32 -0.5814 -0.9754 3187017 PK04_094295 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O22 compound treatment 2283219.424 -613000.0 -0.66 2637592.727 -477000.0 -0.5 -0.8201 -0.9896 3068083 PK04_094296 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O23 compound treatment 2322797.048 -573000.0 -0.62 2473660.377 -641000.0 -0.67 -0.9103 -0.9994 3187018 PK04_094297 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 O24 compound treatment 1902701.299 -993000.0 -1.08 2335455.319 -779000.0 -0.81 -1.334 -0.9901 3068084 PK04_094298 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P01 compound treatment 2301747.292 -594000.0 -0.64 2823904.11 -290000.0 -0.3 -0.669 -0.9403 3187019 PK04_094299 CC(=O)OC[C@H](C=C)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P02 compound treatment 2902773.438 6870.0 0.01 3297079.832 183000.0 0.19 0.1396 0.7343 3413984 PK04_094300 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P03 compound treatment 2674239.437 -222000.0 -0.24 3121384.615 7030.0 0.01 -0.1648 -0.6853 3068086 PK04_094301 COc1ccc(CN([C@H](CO)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P04 compound treatment 2891864.865 -4040.0 0.0 3212392.996 98000.0 0.1 0.069 0.6761 3413986 PK04_094302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P05 compound treatment 2334830.0 -561000.0 -0.61 2638783.55 -476000.0 -0.49 -0.7797 -0.9947 3068087 PK04_094303 COc1cc(CN([C@@H](COC(=O)C)C=C)S(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P06 compound treatment 2339395.161 -557000.0 -0.6 2658393.162 -456000.0 -0.47 -0.7618 -0.9929 1952975 PK04_094304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P07 compound treatment 2458033.457 -438000.0 -0.47 3093348.178 -21000.0 -0.02 -0.3512 -0.7388 3068088 PK04_094305 OCCCNS(=O)(=O)c1ccc(Br)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P08 compound treatment 2069401.434 -827000.0 -0.9 2483861.111 -630000.0 -0.66 -1.0971 -0.9882 3413993 PK04_094306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P09 compound treatment 2191052.083 -705000.0 -0.76 2484094.262 -630000.0 -0.66 -1.0036 -0.9971 3068089 PK04_094307 CC[Si](CC)(CC)OC[C@@H](C=C)N(Cc1ccc(OC(=O)C)c(OC)c1)S(=O)(=O)c2ccc(Br)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P10 compound treatment 2231458.194 -664000.0 -0.72 2861794.872 -253000.0 -0.26 -0.6951 -0.9065 1952969 PK04_094308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5ccccc5)C/C=C/C[C@@H](Cc6ccccc6)C(=O)O[C@@H]14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P11 mock treatment 2372378.571 -524000.0 -0.57 2992348.936 -122000.0 -0.13 -0.4911 -0.8443 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P12 mock treatment 2358392.739 -538000.0 -0.58 2777544.355 -337000.0 -0.35 -0.6597 -0.9703 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P13 compound treatment 2316109.023 -580000.0 -0.63 3030689.243 -83700.0 -0.09 -0.506 -0.7973 3068090 PK04_094309 COc1cc(CO)ccc1OC(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P14 compound treatment 2144572.848 -751000.0 -0.81 2700169.231 -414000.0 -0.43 -0.8805 -0.9556 3068091 PK04_094310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P15 compound treatment 2085278.626 -811000.0 -0.88 2459228.137 -655000.0 -0.68 -1.103 -0.992 3187025 PK04_094311 COc1ccc(CN(C2=CC[C@@]3(C(=O)N)C(=O)C(=C(Cl)C(=O)[C@]3(C2)C#N)Cl)S(=O)(=O)c4ccc(Br)cc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P16 compound treatment 2142989.091 -753000.0 -0.82 2813377.163 -301000.0 -0.31 -0.7985 -0.9133 3187026 PK04_094312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P17 compound treatment 2399495.146 -496000.0 -0.54 2623881.356 -490000.0 -0.51 -0.7411 -0.9996 3068092 PK04_094313 CC(C)(C)OC(=O)N1[C@H](COC1(C)C)C=C(Br)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P18 compound treatment 2259000.0 -637000.0 -0.69 2659831.746 -455000.0 -0.47 -0.8224 -0.9829 3187027 PK04_094314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P19 compound treatment 2113771.93 -782000.0 -0.85 2560668.712 -554000.0 -0.58 -1.0066 -0.9822 1003211 PK04_094315 CNS(=O)(=O)c1ccc(C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P20 compound treatment 2249594.156 -646000.0 -0.7 2163754.325 -951000.0 -0.99 -1.1942 -0.9858 3187028 PK04_094316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P21 compound treatment 2024239.7 -872000.0 -0.95 2332251.634 -782000.0 -0.81 -1.2431 -0.9972 3068127 PK04_094317 COc1cc(COC(=O)C)ccc1OC(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P22 compound treatment 2111055.385 -785000.0 -0.85 2267689.542 -847000.0 -0.88 -1.224 -0.9999 3187029 PK04_094318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P23 compound treatment 2128158.451 -768000.0 -0.83 2233140.575 -881000.0 -0.92 -1.2363 -0.9989 3068129 PK04_094319 OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2094 P24 compound treatment 1838541.667 -1060000.0 -1.15 2382753.086 -732000.0 -0.76 -1.3484 -0.9801 3413981 PK04_094320 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A01 compound treatment 3239966.507 -552000.0 -0.6 3081433.79 -785000.0 -0.82 -1.0003 -0.9883 3067957 PK04_095001 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A02 compound treatment 3511435.556 -280000.0 -0.3 3607689.32 -259000.0 -0.27 -0.4054 -0.9982 3187176 PK04_095002 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A03 compound treatment 3721430.052 -70300.0 -0.08 3441472.727 -425000.0 -0.44 -0.3666 -0.817 3067577 PK04_095003 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A04 compound treatment 3957378.109 166000.0 0.18 3947324.607 80500.0 0.08 0.1861 0.9395 3187436 PK04_095004 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A05 compound treatment 3741315.534 -50400.0 -0.05 3646029.126 -221000.0 -0.23 -0.201 -0.8518 3186425 PK04_095005 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6I)c7ccc(cc7)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A06 compound treatment 3645369.458 -146000.0 -0.16 3527980.861 -339000.0 -0.35 -0.3613 -0.9352 3187069 PK04_095006 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A07 compound treatment 3668438.095 -123000.0 -0.13 3707515.306 -159000.0 -0.17 -0.2117 -0.9944 3187427 PK04_095007 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A08 compound treatment 3367125.604 -425000.0 -0.46 3333687.831 -533000.0 -0.55 -0.7174 -0.9958 3187515 PK04_095008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6)c7ccc(cc7)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A09 compound treatment 4013705.314 222000.0 0.24 3459761.682 -407000.0 -0.42 -0.129 -0.2651 3187425 PK04_095009 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A10 compound treatment 3725086.294 -66700.0 -0.07 3564920.561 -302000.0 -0.31 -0.273 -0.8478 3068592 PK04_095010 CCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A11 compound treatment 3053767.773 -738000.0 -0.8 2826949.074 -1040000.0 -1.08 -1.3301 -0.989 3187517 PK04_095011 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A12 compound treatment 3745185.022 -46600.0 -0.05 3840339.45 -26500.0 -0.03 -0.0552 -0.9594 3187344 PK04_095012 COCCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A13 mock treatment 3797150.685 5390.0 0.01 3940596.413 73700.0 0.08 0.0583 0.7588 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A14 mock treatment 3655629.808 -136000.0 -0.15 3790558.559 -76300.0 -0.08 -0.1604 -0.9576 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A15 compound treatment 3445031.674 -347000.0 -0.38 3293029.557 -574000.0 -0.6 -0.6876 -0.9752 3186552 PK04_095013 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A16 compound treatment 3907130.0 115000.0 0.13 3323324.675 -544000.0 -0.56 -0.311 -0.5375 3187439 PK04_095014 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A17 compound treatment 3802029.412 10300.0 0.01 3585073.394 -282000.0 -0.29 -0.1992 -0.6797 3187073 PK04_095015 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A18 compound treatment 3864576.577 72800.0 0.08 3745671.642 -121000.0 -0.13 -0.0332 -0.2236 3187272 PK04_095016 COCCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A19 compound treatment 3658581.731 -133000.0 -0.14 3654303.738 -213000.0 -0.22 -0.2583 -0.9788 3187508 PK04_095017 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NC3CC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A20 compound treatment 3434925.764 -357000.0 -0.39 3484358.852 -382000.0 -0.4 -0.5547 -0.9999 3186432 PK04_095018 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A21 compound treatment 3163391.791 -628000.0 -0.68 3402802.469 -464000.0 -0.48 -0.8228 -0.9857 3068646 PK04_095019 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A22 compound treatment 3430545.455 -361000.0 -0.39 3671966.184 -195000.0 -0.2 -0.4202 -0.9529 3068651 PK04_095020 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A23 compound treatment 3082672.489 -709000.0 -0.77 3319824.786 -547000.0 -0.57 -0.9457 -0.989 3187585 PK04_095021 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 A24 compound treatment 2847036.496 -945000.0 -1.02 3186929.577 -680000.0 -0.71 -1.224 -0.9836 3187430 PK04_095022 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B01 compound treatment 3433969.849 -358000.0 -0.39 3682504.63 -184000.0 -0.19 -0.4098 -0.9471 3187519 PK04_095023 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B02 compound treatment 4486041.667 694000.0 0.75 4595721.393 729000.0 0.76 1.068 1.0 3186885 PK04_095024 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B03 compound treatment 4481795.238 690000.0 0.75 4586515.982 720000.0 0.75 1.058 1.0 3187435 PK04_095025 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B04 compound treatment 4185814.286 394000.0 0.43 4020241.379 153000.0 0.16 0.4149 0.9097 3186491 PK04_095026 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B05 compound treatment 4135194.915 343000.0 0.37 4334692.623 468000.0 0.49 0.6072 0.9913 3068539 PK04_095027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(F)cc(c4)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B06 compound treatment 4077831.683 286000.0 0.31 4101792.929 235000.0 0.24 0.392 0.993 3186559 PK04_095028 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B07 compound treatment 4339004.505 547000.0 0.59 4015330.144 148000.0 0.15 0.5287 0.8623 3068561 PK04_095029 CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B08 compound treatment 5039826.484 1250000.0 1.35 4415200.0 548000.0 0.57 1.3599 0.9261 3068322 PK04_095030 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B09 compound treatment 4443194.313 651000.0 0.71 4653466.321 787000.0 0.82 1.0776 0.9973 3187432 PK04_095031 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B10 compound treatment 4374851.163 583000.0 0.63 4194088.372 327000.0 0.34 0.6876 0.9577 3068145 PK04_095032 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(F)(F)F)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B11 compound treatment 4301657.005 510000.0 0.55 4691257.642 824000.0 0.86 0.9969 0.9775 3187265 PK04_095033 CC(C)N1[C@H]([C@H](C(=O)NCCCN(C)C)c2ccccc2C1=O)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B12 compound treatment 4291798.165 500000.0 0.54 4225198.157 358000.0 0.37 0.6467 0.9832 3186629 PK04_095034 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B13 mock treatment 4330880.0 539000.0 0.58 4219756.219 353000.0 0.37 0.6727 0.9748 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B14 mock treatment 3966199.052 174000.0 0.19 4332465.969 466000.0 0.48 0.476 0.916 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B15 compound treatment 4576102.222 784000.0 0.85 4154830.846 288000.0 0.3 0.813 0.9018 3187269 PK04_095035 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3CCCCC3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B16 compound treatment 4331376.106 540000.0 0.59 4104098.655 237000.0 0.25 0.5881 0.9262 3186887 PK04_095036 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B17 compound treatment 4228233.945 436000.0 0.47 3764323.144 -103000.0 -0.11 0.2593 0.5345 3068417 PK04_095037 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B18 compound treatment 3900693.023 109000.0 0.12 4285373.333 419000.0 0.44 0.3911 0.8677 3067610 PK04_095038 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(C7CC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B19 compound treatment 3890125.541 98400.0 0.11 4088180.18 221000.0 0.23 0.2381 0.9389 3068639 PK04_095039 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B20 compound treatment 4107404.412 316000.0 0.34 3705579.151 -161000.0 -0.17 0.1235 0.324 3068006 PK04_095040 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B21 compound treatment 3649084.677 -143000.0 -0.15 3865203.54 -1650.0 0.0 -0.1106 -0.7149 3068601 PK04_095041 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCc4ccccc4)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B22 compound treatment 3635122.047 -157000.0 -0.17 3464654.206 -402000.0 -0.42 -0.4157 -0.9213 3068203 PK04_095042 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5Cl)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B23 compound treatment 3616115.88 -176000.0 -0.19 3580464.73 -286000.0 -0.3 -0.3452 -0.9767 3187355 PK04_095043 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCC(F)(F)F)c4ccccc4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 B24 compound treatment 3235475.0 -556000.0 -0.6 3411451.883 -455000.0 -0.47 -0.7612 -0.9928 3068156 PK04_095044 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C01 compound treatment 3752910.377 -38800.0 -0.04 3416599.099 -450000.0 -0.47 -0.3607 -0.7676 3187590 PK04_095045 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C02 compound treatment 4083380.952 292000.0 0.32 4515615.385 649000.0 0.67 0.7004 0.9404 3187180 PK04_095046 CC(C)NC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C03 compound treatment 4402803.828 611000.0 0.66 4055106.796 188000.0 0.2 0.6068 0.8784 3186493 PK04_095047 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C04 compound treatment 1461928.571 -2330000.0 -2.53 1523023.81 -2340000.0 -2.44 -3.5089 -0.9998 3186427 PK04_095048 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C05 compound treatment 4186800.995 395000.0 0.43 3969490.385 103000.0 0.11 0.3783 0.857 3187172 PK04_095049 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C06 compound treatment 3782316.327 -9440.0 -0.01 3915524.272 48700.0 0.05 0.0285 0.5528 3187080 PK04_095050 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C07 compound treatment 3884871.56 93100.0 0.1 4253481.675 387000.0 0.4 0.3556 0.8581 3186988 PK04_095051 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C08 compound treatment 3409171.569 -383000.0 -0.41 3689808.29 -177000.0 -0.18 -0.4235 -0.9331 3068011 PK04_095052 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C09 compound treatment 3615425.0 -176000.0 -0.19 3583873.737 -283000.0 -0.29 -0.3432 -0.9782 3068498 PK04_095053 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C10 compound treatment 3051137.931 -741000.0 -0.8 3073589.623 -793000.0 -0.82 -1.1509 -0.9999 3186550 PK04_095054 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C11 mock treatment 3730419.355 -61300.0 -0.07 3904080.952 37200.0 0.04 -0.0197 -0.2556 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C12 mock treatment 3406147.541 -386000.0 -0.42 3652774.869 -214000.0 -0.22 -0.453 -0.9564 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C13 compound treatment 3620429.688 -171000.0 -0.19 4120491.803 254000.0 0.26 0.0551 0.1707 3187361 PK04_095055 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C14 compound treatment 3847995.146 56200.0 0.06 3839840.796 -27000.0 -0.03 0.0233 0.3465 3068504 PK04_095056 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C15 mock treatment 3719084.388 -72700.0 -0.08 3889777.778 22900.0 0.02 -0.0389 -0.4722 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C16 mock treatment 4038201.005 246000.0 0.27 3643953.704 -223000.0 -0.23 0.0251 0.071 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C17 compound treatment 3345850.202 -446000.0 -0.48 3654932.99 -212000.0 -0.22 -0.4976 -0.9366 3067969 PK04_095057 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCCN(C)C)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C18 compound treatment 3550938.053 -241000.0 -0.26 3753000.0 -114000.0 -0.12 -0.2683 -0.9359 3187359 PK04_095058 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C19 compound treatment 3804340.0 12600.0 0.01 3619528.846 -247000.0 -0.26 -0.1721 -0.6686 3187087 PK04_095059 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C20 compound treatment 3663910.891 -128000.0 -0.14 3579617.925 -287000.0 -0.3 -0.3091 -0.9391 3187443 PK04_095060 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C21 compound treatment 3465108.333 -327000.0 -0.35 3429744.076 -437000.0 -0.45 -0.5717 -0.9924 3067571 PK04_095061 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C22 compound treatment 3457472.441 -334000.0 -0.36 3717978.836 -149000.0 -0.15 -0.3657 -0.928 3187181 PK04_095062 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C23 compound treatment 3476043.29 -316000.0 -0.34 3185797.101 -681000.0 -0.71 -0.7426 -0.9444 3187509 PK04_095063 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)c4ccc(cc4)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 C24 compound treatment 2988716.599 -803000.0 -0.87 3067879.808 -799000.0 -0.83 -1.2029 -0.9997 3068474 PK04_095064 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D01 compound treatment 4888123.153 1100000.0 1.19 3356913.462 -510000.0 -0.53 0.4658 0.3579 3068587 PK04_095065 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(CC3(CC4CC5CC(C4)C3)C5)C(=O)c6ccccc26)c7ccc(CO)cc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D02 compound treatment 4029314.136 238000.0 0.26 4382620.321 516000.0 0.54 0.5612 0.9436 3068318 PK04_095066 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D03 compound treatment 3589689.922 -202000.0 -0.22 4209649.77 343000.0 0.36 0.097 0.232 3187363 PK04_095067 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D04 compound treatment 3541725.664 -250000.0 -0.27 4321848.485 455000.0 0.47 0.1427 0.2618 3186486 PK04_095068 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CCN7CCOCC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D05 compound treatment 4022441.441 231000.0 0.25 4314028.571 447000.0 0.46 0.5055 0.9578 3187179 PK04_095069 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(=O)c3ccccc23)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D06 compound treatment 3418685.446 -373000.0 -0.4 3611666.667 -255000.0 -0.27 -0.4736 -0.9791 3187522 PK04_095070 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D07 compound treatment 3503785.124 -288000.0 -0.31 4426142.18 559000.0 0.58 0.1903 0.2884 3068515 PK04_095071 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D08 compound treatment 3761416.667 -30300.0 -0.03 3819475.336 -47400.0 -0.05 -0.0581 -0.9808 3186872 PK04_095072 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D09 compound treatment 3302987.952 -489000.0 -0.53 3946570.093 79700.0 0.08 -0.3161 -0.5894 3068609 PK04_095073 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D10 compound treatment 3716052.133 -75700.0 -0.08 3992650.0 126000.0 0.13 0.0344 0.2229 3186795 PK04_095074 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D11 mock treatment 3584720.721 -207000.0 -0.22 3985557.214 119000.0 0.12 -0.0715 -0.2791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D12 mock treatment 3302902.954 -489000.0 -0.53 3922160.804 55300.0 0.06 -0.3342 -0.6267 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D13 compound treatment 3550152.61 -242000.0 -0.26 3877000.0 10100.0 0.01 -0.1778 -0.6781 3067964 PK04_095075 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D14 compound treatment 3440934.109 -351000.0 -0.38 3860913.876 -5940.0 -0.01 -0.2733 -0.7185 3068230 PK04_095076 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D15 mock treatment 3300100.402 -492000.0 -0.53 3753059.361 -114000.0 -0.12 -0.4606 -0.8435 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D16 mock treatment 3259261.803 -532000.0 -0.58 3463040.161 -404000.0 -0.42 -0.7051 -0.9877 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D17 compound treatment 3055713.287 -736000.0 -0.8 3196750.0 -670000.0 -0.7 -1.0568 -0.9977 3068595 PK04_095077 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCc3ccccc3)c4ccccc4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D18 compound treatment 3243086.957 -549000.0 -0.59 3277565.737 -589000.0 -0.61 -0.8538 -0.9999 3186982 PK04_095078 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D19 compound treatment 3095892.562 -696000.0 -0.75 3626301.435 -241000.0 -0.25 -0.7103 -0.8936 3187440 PK04_095079 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D20 compound treatment 3419510.549 -372000.0 -0.4 3728024.752 -139000.0 -0.14 -0.3874 -0.9039 3068415 PK04_095080 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D21 compound treatment 2936377.85 -855000.0 -0.93 3432186.667 -435000.0 -0.45 -0.9753 -0.9454 3068596 PK04_095081 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCC(F)(F)F)c3ccccc3C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D22 compound treatment 3085011.673 -707000.0 -0.77 3339715.556 -527000.0 -0.55 -0.9293 -0.9865 3186713 PK04_095082 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D23 compound treatment 2900233.607 -892000.0 -0.97 3171924.901 -695000.0 -0.72 -1.1943 -0.9897 3187357 PK04_095083 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 D24 compound treatment 2853000.0 -939000.0 -1.02 2693685.446 -1170000.0 -1.22 -1.582 -0.996 3068270 PK04_095084 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCCN6CCOCC6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E01 mock treatment 3754698.925 -37100.0 -0.04 3775500.0 -91400.0 -0.09 -0.0956 -0.9268 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E02 mock treatment 4148979.508 357000.0 0.39 4084035.897 217000.0 0.23 0.4335 0.967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E03 compound treatment 4510314.286 719000.0 0.78 4687096.447 820000.0 0.85 1.1538 0.999 3068636 PK04_095085 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E04 compound treatment 4017310.502 226000.0 0.24 4416507.853 550000.0 0.57 0.5769 0.9283 3186556 PK04_095086 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E05 compound treatment 4404507.937 613000.0 0.66 4881883.117 1020000.0 1.06 1.2158 0.9751 3187587 PK04_095087 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E06 compound treatment 4108702.326 317000.0 0.34 4118139.423 251000.0 0.26 0.4277 0.9908 3186428 PK04_095088 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E07 compound treatment 4234073.059 442000.0 0.48 4461612.15 595000.0 0.62 0.7763 0.9921 3187266 PK04_095089 CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E08 compound treatment 3944601.81 153000.0 0.17 4836022.624 969000.0 1.01 0.8295 0.8125 3187351 PK04_095090 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E09 mock treatment 3792115.556 357.0 0.0 4671162.679 804000.0 0.84 0.5914 0.7074 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E10 mock treatment 3953892.683 162000.0 0.18 4721528.384 855000.0 0.89 0.7525 0.8309 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E11 compound treatment 3913020.576 121000.0 0.13 4170275.862 303000.0 0.32 0.316 0.9248 3068004 PK04_095091 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E12 compound treatment 3685354.167 -106000.0 -0.12 4376831.818 510000.0 0.53 0.2932 0.5406 3186500 PK04_095092 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E13 compound treatment 4366488.789 575000.0 0.62 4578292.793 711000.0 0.74 0.9635 0.9964 3187346 PK04_095093 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCN3CCOCC3)c4ccccc4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E14 compound treatment 4022429.204 231000.0 0.25 4492497.778 626000.0 0.65 0.6367 0.9138 3187262 PK04_095094 CC(C)N1[C@H]([C@H](C(=O)NCCN2CCOCC2)c3ccccc3C1=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E15 compound treatment 4054693.396 263000.0 0.29 3584789.954 -282000.0 -0.29 -0.0057 -0.014 3067574 PK04_095095 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E16 compound treatment 4225982.833 434000.0 0.47 4336130.841 469000.0 0.49 0.6778 0.9998 3187350 PK04_095096 COCCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E17 mock treatment 3882000.0 90200.0 0.1 4403613.953 537000.0 0.56 0.4637 0.8186 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E18 mock treatment 3845030.418 53300.0 0.06 3737081.712 -130000.0 -0.13 -0.0545 -0.3717 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E19 compound treatment 3933767.635 142000.0 0.15 4299452.489 433000.0 0.45 0.4268 0.8981 3068657 PK04_095097 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E20 compound treatment 4063183.673 271000.0 0.29 4538257.426 671000.0 0.7 0.7016 0.9263 3068140 PK04_095098 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E21 compound treatment 3683909.091 -108000.0 -0.12 3883860.987 17000.0 0.02 -0.0702 -0.5935 3186562 PK04_095099 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E22 compound treatment 4039629.787 248000.0 0.27 4059449.761 193000.0 0.2 0.3316 0.9895 3187591 PK04_095100 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E23 compound treatment 3428800.0 -363000.0 -0.39 3440566.54 -426000.0 -0.44 -0.5916 -0.9983 3187263 PK04_095101 CC(C)N1[C@H]([C@H](C(=O)NCc2ccccc2)c3ccccc3C1=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 E24 compound treatment 3522389.558 -269000.0 -0.29 3301861.789 -565000.0 -0.59 -0.6218 -0.948 3068517 PK04_095102 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F01 mock treatment 3932961.207 141000.0 0.15 3978330.144 111000.0 0.12 0.1902 0.9906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F02 mock treatment 4810569.948 1020000.0 1.1 4744478.495 878000.0 0.91 1.4261 0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F03 compound treatment 5017038.278 1230000.0 1.33 4866398.01 1000000.0 1.04 1.6741 0.9926 3187079 PK04_095103 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F04 compound treatment 4296578.261 505000.0 0.55 4542135.514 675000.0 0.7 0.8834 0.9924 3068331 PK04_095104 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F05 compound treatment 3750792.531 -41000.0 -0.04 4267908.676 401000.0 0.42 0.2634 0.6282 3068563 PK04_095105 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F06 compound treatment 3893603.306 102000.0 0.11 4477216.216 610000.0 0.63 0.5267 0.8179 3186879 PK04_095106 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCCN6CCOCC6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F07 compound treatment 3970685.99 179000.0 0.19 4064049.327 197000.0 0.2 0.2821 0.9996 3187523 PK04_095107 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F08 compound treatment 4239013.825 447000.0 0.48 4547104.803 680000.0 0.71 0.8429 0.9831 3186563 PK04_095108 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F09 mock treatment 3945520.0 154000.0 0.17 4365008.475 498000.0 0.52 0.484 0.8898 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F10 mock treatment 3692423.581 -99300.0 -0.11 4827283.333 960000.0 1.0 0.6297 0.6272 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F11 compound treatment 4254211.207 462000.0 0.5 4243155.34 376000.0 0.39 0.6311 0.9925 3187257 PK04_095109 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F12 compound treatment 3676189.189 -116000.0 -0.13 4008902.954 142000.0 0.15 0.0158 0.0816 3068241 PK04_095110 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F13 compound treatment 3684556.0 -107000.0 -0.12 4492447.489 626000.0 0.65 0.3776 0.5716 3068554 PK04_095111 COCCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F14 compound treatment 3505936.759 -286000.0 -0.31 4070254.63 203000.0 0.21 -0.0696 -0.1856 3068362 PK04_095112 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)Sc4ccc(C)cc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F15 compound treatment 3589248.927 -203000.0 -0.22 3466849.206 -400000.0 -0.42 -0.4493 -0.9555 3186423 PK04_095113 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F16 compound treatment 3832312.775 40600.0 0.04 3929846.512 63000.0 0.07 0.0774 0.9812 3068012 PK04_095114 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F17 mock treatment 3713126.984 -78600.0 -0.09 3790290.698 -76600.0 -0.08 -0.1166 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F18 mock treatment 3439554.264 -352000.0 -0.38 3447707.865 -419000.0 -0.44 -0.5781 -0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F19 compound treatment 3346216.606 -446000.0 -0.48 3230874.539 -636000.0 -0.66 -0.809 -0.9881 3067568 PK04_095115 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F20 compound treatment 3710348.361 -81400.0 -0.09 3772368.231 -94500.0 -0.1 -0.1319 -0.9986 3068266 PK04_095116 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F21 compound treatment 3319655.556 -472000.0 -0.51 2996189.474 -871000.0 -0.9 -1.0019 -0.9636 3186419 PK04_095117 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F22 compound treatment 3001540.741 -790000.0 -0.86 3434571.429 -432000.0 -0.45 -0.9236 -0.9546 3187524 PK04_095118 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F23 compound treatment 3611728.625 -180000.0 -0.2 3557267.717 -310000.0 -0.32 -0.3656 -0.9713 3068017 PK04_095119 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)O)c4ccccc4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 F24 compound treatment 3431218.045 -361000.0 -0.39 3325554.688 -541000.0 -0.56 -0.6743 -0.9842 3186554 PK04_095120 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G01 compound treatment 3817815.315 26100.0 0.03 3571639.81 -295000.0 -0.31 -0.197 -0.6393 3186418 PK04_095121 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G02 compound treatment 4378677.885 587000.0 0.64 3960379.31 93500.0 0.1 0.5187 0.8058 3067966 PK04_095122 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCN3CCOCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G03 mock treatment 4223037.915 431000.0 0.47 3887926.267 21100.0 0.02 0.3461 0.7394 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G04 mock treatment 4033623.853 242000.0 0.26 3852661.017 -14200.0 -0.01 0.175 0.6663 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G05 compound treatment 4164765.258 373000.0 0.4 4009864.486 143000.0 0.15 0.3911 0.9076 3068153 PK04_095123 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G06 compound treatment 4064800.0 273000.0 0.3 3949552.381 82700.0 0.09 0.2701 0.8762 3187356 PK04_095124 COCCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G07 compound treatment 3763517.094 -28200.0 -0.03 3976432.432 110000.0 0.11 0.0589 0.4993 3187173 PK04_095125 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G08 compound treatment 3756593.87 -35200.0 -0.04 4051818.182 185000.0 0.19 0.109 0.556 3068514 PK04_095126 CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G09 compound treatment 3633207.171 -159000.0 -0.17 3728750.958 -138000.0 -0.14 -0.2231 -0.996 3187442 PK04_095127 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G10 compound treatment 3865217.391 73500.0 0.08 4143446.512 277000.0 0.29 0.2596 0.8702 3068420 PK04_095128 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G11 compound treatment 3721059.259 -70700.0 -0.08 3893404.167 26500.0 0.03 -0.0347 -0.4258 3187434 PK04_095129 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G12 compound treatment 3597510.823 -194000.0 -0.21 4078131.474 211000.0 0.22 0.0064 0.0209 3186416 PK04_095130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G13 compound treatment 3785583.673 -6180.0 -0.01 3913764.706 46900.0 0.05 0.0297 0.6043 3068507 PK04_095131 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G14 compound treatment 3779679.537 -12100.0 -0.01 3724374.016 -142000.0 -0.15 -0.114 -0.7666 3187162 PK04_095132 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G15 compound treatment 3762863.118 -28900.0 -0.03 3413586.667 -453000.0 -0.47 -0.3553 -0.7525 3068602 PK04_095133 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G16 compound treatment 3619173.145 -173000.0 -0.19 3656200.0 -211000.0 -0.22 -0.2871 -0.9969 3187426 PK04_095134 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G17 compound treatment 3582000.0 -210000.0 -0.23 3365773.585 -501000.0 -0.52 -0.5291 -0.931 3067567 PK04_095135 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G18 compound treatment 3397914.815 -394000.0 -0.43 3615450.82 -251000.0 -0.26 -0.4867 -0.9722 3187525 PK04_095136 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G19 mock treatment 3578660.517 -213000.0 -0.23 3766651.515 -100000.0 -0.1 -0.237 -0.9352 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G20 mock treatment 3819367.273 27600.0 0.03 3777441.767 -89400.0 -0.09 -0.0445 -0.4563 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G21 compound treatment 3915766.667 124000.0 0.13 3891964.844 25100.0 0.03 0.1135 0.8289 3187167 PK04_095137 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G22 compound treatment 3969471.264 178000.0 0.19 4224021.186 357000.0 0.37 0.3988 0.9534 3187174 PK04_095138 COc1ccccc1CN2[C@H]([C@H](C(=O)NC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G23 compound treatment 3531735.075 -260000.0 -0.28 3985963.265 119000.0 0.12 -0.1118 -0.3631 3068478 PK04_095139 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 G24 compound treatment 3748947.368 -42800.0 -0.05 3647459.227 -219000.0 -0.23 -0.1941 -0.8339 3068471 PK04_095140 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H01 compound treatment 4170822.727 379000.0 0.41 4042698.413 176000.0 0.18 0.4199 0.9334 3068149 PK04_095141 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H02 compound treatment 4759949.749 968000.0 1.05 4169113.861 302000.0 0.31 0.9645 0.8802 3068236 PK04_095142 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H03 mock treatment 5022144.231 1230000.0 1.33 4404613.527 538000.0 0.56 1.3386 0.9254 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H04 mock treatment 4946165.138 1150000.0 1.25 4579527.66 713000.0 0.74 1.4089 0.9687 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H05 compound treatment 4312138.075 520000.0 0.56 4236009.217 369000.0 0.38 0.6703 0.9823 3187083 PK04_095143 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H06 compound treatment 4419975.904 628000.0 0.68 4523913.043 657000.0 0.68 0.9646 1.0 3068265 PK04_095144 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H07 compound treatment 4340594.142 549000.0 0.6 4359236.364 492000.0 0.51 0.7827 0.9972 3068458 PK04_095145 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H08 compound treatment 3991597.561 200000.0 0.22 4353992.366 487000.0 0.51 0.5112 0.9283 3068401 PK04_095146 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H09 compound treatment 4115891.213 324000.0 0.35 4471040.179 604000.0 0.63 0.6926 0.9624 3187071 PK04_095147 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H10 compound treatment 3975875.576 184000.0 0.2 4033963.47 167000.0 0.17 0.264 0.9976 3068139 PK04_095148 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H11 compound treatment 3692390.805 -99400.0 -0.11 4530530.364 664000.0 0.69 0.4116 0.5895 3187589 PK04_095149 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H12 compound treatment 3483310.484 -308000.0 -0.33 4525934.884 659000.0 0.69 0.2479 0.3252 3186627 PK04_095150 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H13 compound treatment 3532956.522 -259000.0 -0.28 3993766.393 127000.0 0.13 -0.1051 -0.3391 3187261 PK04_095151 CC(C)N1[C@H]([C@H](C(=O)NC2CC2)c3ccccc3C1=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H14 compound treatment 3578257.692 -214000.0 -0.23 3972020.408 105000.0 0.11 -0.0864 -0.3375 3186980 PK04_095152 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H15 compound treatment 3833909.836 42200.0 0.05 3908214.815 41400.0 0.04 0.0627 0.9995 3187166 PK04_095153 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H16 compound treatment 3550071.672 -242000.0 -0.26 3546131.944 -321000.0 -0.33 -0.421 -0.9929 3186978 PK04_095154 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H17 compound treatment 3439106.383 -353000.0 -0.38 3934643.478 67800.0 0.07 -0.2206 -0.5673 3187349 PK04_095155 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCCN(C)C)c3ccccc3C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H18 compound treatment 3379713.768 -412000.0 -0.45 3924733.624 57900.0 0.06 -0.2734 -0.6064 3068412 PK04_095156 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H19 mock treatment 3645250.909 -147000.0 -0.16 3738779.661 -128000.0 -0.13 -0.2065 -0.9961 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H20 mock treatment 3645740.31 -146000.0 -0.16 3766533.835 -100000.0 -0.1 -0.1857 -0.9795 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H21 compound treatment 3384039.007 -408000.0 -0.44 3482747.573 -384000.0 -0.4 -0.5949 -0.9987 3187512 PK04_095157 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H22 compound treatment 3579071.161 -213000.0 -0.23 3694138.298 -173000.0 -0.18 -0.29 -0.9923 3186806 PK04_095158 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H23 compound treatment 3344992.832 -447000.0 -0.48 3920567.568 53700.0 0.06 -0.3031 -0.6215 3068599 PK04_095159 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NC4CC4)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 H24 compound treatment 3938140.0 146000.0 0.16 3759539.171 -107000.0 -0.11 0.0334 0.1719 3187586 PK04_095160 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I01 compound treatment 3595855.072 -196000.0 -0.21 3410691.919 -456000.0 -0.47 -0.4855 -0.9344 3187165 PK04_095161 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I02 compound treatment 4270755.656 479000.0 0.52 3868046.948 1190.0 0.0 0.3681 0.7088 3068418 PK04_095162 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I03 compound treatment 4039892.857 248000.0 0.27 4068442.857 202000.0 0.21 0.3384 0.9924 3187178 PK04_095163 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I04 compound treatment 3929365.759 138000.0 0.15 4191355.856 325000.0 0.34 0.344 0.9327 3068019 PK04_095164 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I05 mock treatment 3849473.214 57700.0 0.06 4184557.851 318000.0 0.33 0.2778 0.8264 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I06 mock treatment 3570266.376 -221000.0 -0.24 3657371.56 -209000.0 -0.22 -0.3238 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I07 compound treatment 3611482.609 -180000.0 -0.2 3669225.225 -198000.0 -0.21 -0.2835 -0.9997 3068542 PK04_095165 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3Cc4ccccc4C3)C(=O)c5ccccc25)c6ccc(CO)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I08 compound treatment 3686331.776 -105000.0 -0.11 3563706.564 -303000.0 -0.32 -0.3036 -0.9059 3187345 PK04_095166 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I09 compound treatment 3022299.517 -769000.0 -0.83 3373954.955 -493000.0 -0.51 -0.9522 -0.9726 3067971 PK04_095167 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I10 compound treatment 3692704.918 -99100.0 -0.11 3795637.405 -71200.0 -0.07 -0.1283 -0.9835 3068641 PK04_095168 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I11 compound treatment 3513133.803 -279000.0 -0.3 3486246.429 -381000.0 -0.4 -0.4934 -0.9911 3187358 PK04_095169 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I12 compound treatment 3378529.825 -413000.0 -0.45 3911866.953 45000.0 0.05 -0.2837 -0.6298 3068653 PK04_095170 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I13 compound treatment 3211964.706 -580000.0 -0.63 3330449.782 -536000.0 -0.56 -0.8388 -0.9982 3067962 PK04_095171 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I14 compound treatment 3238503.704 -553000.0 -0.6 3410415.385 -456000.0 -0.47 -0.7596 -0.9933 3068606 PK04_095172 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I15 compound treatment 3428288.538 -363000.0 -0.39 3556184.906 -311000.0 -0.32 -0.507 -0.9951 3068476 PK04_095173 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I16 compound treatment 3296364.0 -495000.0 -0.54 3497195.122 -370000.0 -0.38 -0.6515 -0.9865 3186417 PK04_095174 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I17 compound treatment 3142587.031 -649000.0 -0.7 3348093.023 -519000.0 -0.54 -0.879 -0.9913 3187268 PK04_095175 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I18 compound treatment 3193454.545 -598000.0 -0.65 3452053.957 -415000.0 -0.43 -0.7636 -0.9803 3187264 PK04_095176 CC(C)N1[C@H]([C@H](C(=O)NCC(F)(F)F)c2ccccc2C1=O)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I19 compound treatment 3443657.588 -348000.0 -0.38 3515358.871 -351000.0 -0.37 -0.5252 -0.9999 3186499 PK04_095177 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I20 compound treatment 3398906.897 -393000.0 -0.43 3541226.563 -326000.0 -0.34 -0.5405 -0.9935 3068422 PK04_095178 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I21 mock treatment 3430280.632 -361000.0 -0.39 3489620.438 -377000.0 -0.39 -0.5544 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I22 mock treatment 3528636.986 -263000.0 -0.29 3655666.667 -211000.0 -0.22 -0.357 -0.9916 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I23 compound treatment 3622877.551 -169000.0 -0.18 3629347.032 -238000.0 -0.25 -0.304 -0.9892 3068550 PK04_095179 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(C)C)C(=O)c3ccccc23)c4ccc(CO)cc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 I24 compound treatment 3568473.684 -223000.0 -0.24 2963445.255 -903000.0 -0.94 -0.8352 -0.8613 3187258 PK04_095180 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4Cc5ccccc5C4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J01 compound treatment 3944055.046 152000.0 0.17 3457593.909 -409000.0 -0.43 -0.184 -0.4033 3187273 PK04_095181 CC(C)CNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J02 compound treatment 4336040.909 544000.0 0.59 4370443.396 504000.0 0.52 0.7874 0.9982 3186630 PK04_095182 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J03 compound treatment 4529178.988 737000.0 0.8 4462963.731 596000.0 0.62 1.0035 0.9921 3187353 PK04_095183 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(=O)c3ccccc32)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J04 compound treatment 4365822.222 574000.0 0.62 4302621.399 436000.0 0.45 0.7604 0.9878 3187588 PK04_095184 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)O)c3ccccc3C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J05 mock treatment 3582421.941 -209000.0 -0.23 4516127.753 649000.0 0.67 0.3167 0.4448 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J06 mock treatment 3998242.188 206000.0 0.22 4499730.594 633000.0 0.66 0.6235 0.8972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J07 compound treatment 3449258.621 -343000.0 -0.37 4020930.0 154000.0 0.16 -0.1494 -0.3693 3186420 PK04_095185 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J08 compound treatment 3703063.241 -88700.0 -0.1 4380360.36 514000.0 0.53 0.3094 0.5705 3186722 PK04_095186 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J09 compound treatment 3611245.614 -181000.0 -0.2 3522227.679 -345000.0 -0.36 -0.3917 -0.9596 3186426 PK04_095187 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J10 compound treatment 3903052.632 111000.0 0.12 4470027.273 603000.0 0.63 0.5286 0.828 3186639 PK04_095188 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J11 compound treatment 3710800.0 -81000.0 -0.09 4082583.691 216000.0 0.22 0.0965 0.4007 3187270 PK04_095189 CC(C)NC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J12 compound treatment 3303745.02 -488000.0 -0.53 3776521.186 -90300.0 -0.09 -0.4405 -0.8198 3067980 PK04_095190 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J13 compound treatment 3015616.74 -776000.0 -0.84 3298490.775 -568000.0 -0.59 -1.0128 -0.985 3186421 PK04_095191 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J14 compound treatment 2989893.13 -802000.0 -0.87 3315000.0 -552000.0 -0.57 -1.0204 -0.9796 3068150 PK04_095192 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J15 compound treatment 3495886.364 -296000.0 -0.32 3503642.276 -363000.0 -0.38 -0.4938 -0.9967 3068598 PK04_095193 CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J16 compound treatment 3119728.223 -672000.0 -0.73 3374750.0 -492000.0 -0.51 -0.8769 -0.985 3068324 PK04_095194 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J17 compound treatment 2636726.619 -1160000.0 -1.25 3011948.207 -855000.0 -0.89 -1.5139 -0.9859 3067973 PK04_095195 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J18 compound treatment 3055399.317 -736000.0 -0.8 3165586.885 -701000.0 -0.73 -1.08 -0.999 3068414 PK04_095196 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J19 compound treatment 3099933.962 -692000.0 -0.75 3332228.261 -535000.0 -0.56 -0.9234 -0.9891 3187085 PK04_095197 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J20 compound treatment 3073454.829 -718000.0 -0.78 3290050.179 -577000.0 -0.6 -0.9747 -0.9916 3186884 PK04_095198 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J21 mock treatment 3190197.88 -602000.0 -0.65 3069276.873 -798000.0 -0.83 -1.0474 -0.993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J22 mock treatment 3172660.377 -619000.0 -0.67 3208233.333 -659000.0 -0.68 -0.9587 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J23 compound treatment 3031341.538 -760000.0 -0.82 3303845.833 -563000.0 -0.59 -0.9968 -0.9859 3187082 PK04_095199 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 J24 compound treatment 3174116.197 -618000.0 -0.67 3116076.087 -751000.0 -0.78 -1.0253 -0.9971 3068227 PK04_095200 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K01 compound treatment 2915462.264 -876000.0 -0.95 3426580.808 -440000.0 -0.46 -0.9954 -0.9439 3187514 PK04_095201 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K02 compound treatment 4612659.664 821000.0 0.89 4082889.831 216000.0 0.22 0.7882 0.8586 3187168 PK04_095202 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccc(OC(F)(F)F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K03 compound treatment 3831168.0 39400.0 0.04 3758392.857 -108000.0 -0.11 -0.0495 -0.4106 3068143 PK04_095203 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC5CC5)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K04 compound treatment 3495155.172 -297000.0 -0.32 3487343.75 -380000.0 -0.39 -0.5063 -0.9949 3187275 PK04_095204 CN(C)CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K05 compound treatment 3990171.946 198000.0 0.22 4088642.57 222000.0 0.23 0.3151 0.9994 3187271 PK04_095205 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K06 compound treatment 3428882.353 -363000.0 -0.39 3519976.526 -347000.0 -0.36 -0.5332 -0.999 3186561 PK04_095206 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K07 mock treatment 3755807.843 -36000.0 -0.04 3883078.231 16200.0 0.02 -0.0156 -0.3682 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K08 mock treatment 3673693.277 -118000.0 -0.13 3907576.613 40700.0 0.04 -0.0606 -0.4494 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K09 compound treatment 3644822.526 -147000.0 -0.16 3881013.605 14200.0 0.01 -0.1022 -0.6391 3068519 PK04_095207 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K10 compound treatment 3893947.17 102000.0 0.11 4275017.241 408000.0 0.42 0.3783 0.8628 3068466 PK04_095208 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K11 compound treatment 3922952.756 131000.0 0.14 3873248.996 6390.0 0.01 0.1053 0.7393 3068556 PK04_095209 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K12 compound treatment 4309029.412 517000.0 0.56 4538914.894 672000.0 0.7 0.8905 0.9941 3067978 PK04_095210 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K13 compound treatment 3554867.55 -237000.0 -0.26 3867287.582 433.0 0.0 -0.1813 -0.7059 3068499 PK04_095211 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K14 compound treatment 3581300.366 -210000.0 -0.23 3856519.231 -10300.0 -0.01 -0.169 -0.7396 3068588 PK04_095212 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K15 mock treatment 3822976.923 31200.0 0.03 3570380.074 -296000.0 -0.31 -0.194 -0.6257 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K16 mock treatment 3617306.502 -174000.0 -0.19 3649201.439 -218000.0 -0.23 -0.2937 -0.996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K17 compound treatment 3301595.156 -490000.0 -0.53 3371348.148 -496000.0 -0.52 -0.74 -0.9999 3068009 PK04_095213 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K18 compound treatment 3170825.095 -621000.0 -0.67 3317976.974 -549000.0 -0.57 -0.8795 -0.9966 3186498 PK04_095214 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCCN(C)C)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K19 compound treatment 3652726.984 -139000.0 -0.15 3567791.946 -299000.0 -0.31 -0.3264 -0.9448 3068472 PK04_095215 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K20 compound treatment 3799833.333 8070.0 0.01 3752793.594 -114000.0 -0.12 -0.0776 -0.6531 3187259 PK04_095216 COCCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K21 compound treatment 4219612.766 428000.0 0.46 3478116.129 -389000.0 -0.4 0.0423 0.0688 3187078 PK04_095217 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K22 compound treatment 4042464.435 251000.0 0.27 3990710.744 124000.0 0.13 0.2832 0.9417 3068508 PK04_095218 COc1ccccc1CN2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K23 mock treatment 4020575.758 229000.0 0.25 3753017.467 -114000.0 -0.12 0.0918 0.3338 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 K24 mock treatment 3653201.521 -139000.0 -0.15 3260409.894 -606000.0 -0.63 -0.552 -0.8518 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L01 compound treatment 3846801.02 55000.0 0.06 3704740.909 -162000.0 -0.17 -0.0769 -0.4305 3187175 PK04_095219 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCCN(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L02 compound treatment 4355800.0 564000.0 0.61 4688024.39 821000.0 0.85 1.036 0.9866 3186714 PK04_095220 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L03 compound treatment 4708724.138 917000.0 0.99 4801444.444 935000.0 0.97 1.3899 0.9999 3067967 PK04_095221 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCc3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L04 compound treatment 4767808.511 976000.0 1.06 4765920.635 899000.0 0.93 1.4091 0.9981 3186429 PK04_095222 CC(C)CN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L05 compound treatment 4215229.358 423000.0 0.46 4640383.495 774000.0 0.8 0.8932 0.9647 3068540 PK04_095223 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L06 compound treatment 4178767.932 387000.0 0.42 4620748.792 754000.0 0.78 0.8508 0.9572 3186551 PK04_095224 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L07 mock treatment 4404452.675 613000.0 0.66 4498583.333 632000.0 0.66 0.9341 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L08 mock treatment 4469783.898 678000.0 0.74 4681198.444 814000.0 0.85 1.1184 0.9975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L09 compound treatment 2175076.923 -1620000.0 -1.75 3704673.228 -162000.0 -0.17 -1.3587 -0.7715 3187518 PK04_095225 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L10 compound treatment 4504619.048 713000.0 0.77 4423215.247 556000.0 0.58 0.9555 0.9898 3068144 PK04_095226 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCc5ccccc5)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L11 compound treatment 4309846.429 518000.0 0.56 4577965.217 711000.0 0.74 0.9199 0.9908 3187076 PK04_095227 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L12 compound treatment 3874750.903 83000.0 0.09 4558108.597 691000.0 0.72 0.5717 0.7895 3068313 PK04_095228 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L13 compound treatment 4125437.956 334000.0 0.36 4036874.016 170000.0 0.18 0.3808 0.9457 3187347 PK04_095229 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(C)C)C(=O)c3ccccc32)c4ccc(CO)cc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L14 compound treatment 3888363.322 96600.0 0.1 4188879.699 322000.0 0.33 0.3107 0.886 3068194 PK04_095230 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(C)C)C4=O)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L15 mock treatment 4072043.137 280000.0 0.3 3731826.99 -135000.0 -0.14 0.1156 0.3455 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L16 mock treatment 3932375.427 141000.0 0.15 3575151.057 -292000.0 -0.3 -0.1066 -0.3141 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L17 compound treatment 3987515.267 196000.0 0.21 4034169.355 167000.0 0.17 0.2731 0.9951 3068510 PK04_095231 COc1ccccc1CN2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L18 compound treatment 3831610.039 39900.0 0.04 3733341.637 -134000.0 -0.14 -0.0676 -0.4649 3068263 PK04_095232 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3I)Sc4ccc(C)cc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L19 compound treatment 3375581.818 -416000.0 -0.45 3364366.771 -502000.0 -0.52 -0.6884 -0.9973 3067958 PK04_095233 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L20 compound treatment 3559363.344 -232000.0 -0.25 3405319.876 -462000.0 -0.48 -0.5174 -0.9548 3068403 PK04_095234 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L21 compound treatment 3746203.636 -45600.0 -0.05 3572633.987 -294000.0 -0.31 -0.2512 -0.8108 3187163 PK04_095235 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L22 compound treatment 4021731.343 230000.0 0.25 3480780.303 -386000.0 -0.4 -0.1074 -0.2274 3186433 PK04_095236 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L23 mock treatment 3732496.377 -59300.0 -0.06 3221032.143 -646000.0 -0.67 -0.5201 -0.7713 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 L24 mock treatment 3655390.071 -136000.0 -0.15 3053153.846 -814000.0 -0.85 -0.7026 -0.8183 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M01 compound treatment 3088457.265 -703000.0 -0.76 2892717.073 -974000.0 -1.01 -1.2552 -0.9902 3187444 PK04_095237 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M02 compound treatment 3425773.913 -366000.0 -0.4 3300248.848 -567000.0 -0.59 -0.697 -0.9815 3068593 PK04_095238 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NC3CC3)c4ccccc4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M03 compound treatment 3877712.389 86000.0 0.09 3230293.436 -637000.0 -0.66 -0.402 -0.6016 3187441 PK04_095239 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M04 compound treatment 3947392.523 156000.0 0.17 3572369.004 -294000.0 -0.31 -0.0971 -0.2779 3068649 PK04_095240 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M05 compound treatment 3018809.045 -773000.0 -0.84 3298814.978 -568000.0 -0.59 -1.0101 -0.9853 3068152 PK04_095241 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M06 compound treatment 3301566.667 -490000.0 -0.53 3637141.631 -230000.0 -0.24 -0.5447 -0.9348 3068655 PK04_095242 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M07 compound treatment 3270739.669 -521000.0 -0.56 3525517.375 -341000.0 -0.35 -0.6503 -0.9749 3068005 PK04_095243 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M08 compound treatment 3178648.0 -613000.0 -0.66 3049629.252 -817000.0 -0.85 -1.0707 -0.9926 3187084 PK04_095244 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M09 mock treatment 3326291.498 -465000.0 -0.5 3427206.642 -440000.0 -0.46 -0.68 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M10 mock treatment 3264546.667 -527000.0 -0.57 3630954.918 -236000.0 -0.25 -0.5776 -0.9286 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M11 compound treatment 3393740.891 -398000.0 -0.43 3327711.864 -539000.0 -0.56 -0.7014 -0.9917 3186422 PK04_095245 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M12 compound treatment 3109253.589 -683000.0 -0.74 3314306.273 -553000.0 -0.57 -0.9294 -0.9921 3068142 PK04_095246 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M13 mock treatment 3280313.869 -511000.0 -0.55 3238035.211 -629000.0 -0.65 -0.8543 -0.9967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M14 mock treatment 3316251.029 -476000.0 -0.52 3276581.227 -590000.0 -0.61 -0.7984 -0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M15 compound treatment 3262253.906 -530000.0 -0.57 3338916.0 -528000.0 -0.55 -0.794 -0.9997 3068557 PK04_095247 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M16 compound treatment 3170522.088 -621000.0 -0.67 3139596.61 -727000.0 -0.76 -1.0108 -0.9983 3187170 PK04_095248 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M17 compound treatment 3156589.212 -635000.0 -0.69 3190602.317 -676000.0 -0.7 -0.984 -0.9999 3187431 PK04_095249 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M18 compound treatment 3190577.778 -601000.0 -0.65 3236105.634 -631000.0 -0.66 -0.9245 -1.0 3187074 PK04_095250 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M19 compound treatment 3352087.248 -440000.0 -0.48 2923348.534 -944000.0 -0.98 -1.0305 -0.9451 3068552 PK04_095251 CC(C)NC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M20 compound treatment 3200793.358 -591000.0 -0.64 3128347.015 -739000.0 -0.77 -0.9959 -0.996 3068014 PK04_095252 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)O)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M21 compound treatment 3579109.155 -213000.0 -0.23 3098509.74 -768000.0 -0.8 -0.7278 -0.8755 3187086 PK04_095253 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M22 compound treatment 3410042.705 -382000.0 -0.41 2849332.203 -1020000.0 -1.06 -1.0405 -0.9162 3187428 PK04_095254 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M23 compound treatment 3059876.866 -732000.0 -0.79 2937338.028 -930000.0 -0.97 -1.2443 -0.9952 3187081 PK04_095255 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 M24 compound treatment 3132905.455 -659000.0 -0.71 2493699.62 -1370000.0 -1.43 -1.5144 -0.9488 3068003 PK04_095256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N01 compound treatment 3634303.03 -157000.0 -0.17 3860349.515 -6510.0 -0.01 -0.1255 -0.7345 3187360 PK04_095257 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N02 compound treatment 4288612.613 497000.0 0.54 4318114.754 451000.0 0.47 0.7126 0.9976 3068231 PK04_095258 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N03 compound treatment 4337803.347 546000.0 0.59 4835428.571 969000.0 1.01 1.1305 0.968 3068544 PK04_095259 CC(C)NC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N04 compound treatment 3155561.947 -636000.0 -0.69 3876626.214 9770.0 0.01 -0.4806 -0.6966 3187527 PK04_095260 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N05 compound treatment 4182802.632 391000.0 0.42 4111366.255 245000.0 0.25 0.4795 0.97 3187260 PK04_095261 CCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N06 compound treatment 4068797.468 277000.0 0.3 4205092.92 338000.0 0.35 0.461 0.9969 3186724 PK04_095262 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N07 compound treatment 3919128.319 127000.0 0.14 3900144.033 33300.0 0.03 0.1221 0.8578 3068501 PK04_095263 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N08 compound treatment 3838036.885 46300.0 0.05 3949004.545 82200.0 0.09 0.0959 0.9679 3186871 PK04_095264 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N09 mock treatment 3985622.12 194000.0 0.21 4391717.949 525000.0 0.55 0.5344 0.9141 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N10 mock treatment 4153608.0 362000.0 0.39 4123596.899 257000.0 0.27 0.4661 0.9824 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N11 compound treatment 4035848.624 244000.0 0.26 3872662.835 5810.0 0.01 0.1914 0.723 3187070 PK04_095265 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N12 compound treatment 3694353.659 -97400.0 -0.11 3853119.342 -13700.0 -0.01 -0.0848 -0.7955 3186804 PK04_095266 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N13 mock treatment 3774151.786 -17600.0 -0.02 3854651.822 -12200.0 -0.01 -0.0225 -0.9803 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N14 mock treatment 3559734.694 -232000.0 -0.25 3354257.042 -513000.0 -0.53 -0.5546 -0.9413 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N15 compound treatment 1341020.833 -2450000.0 -2.66 1472288.889 -2390000.0 -2.49 -3.6389 -0.9995 3186424 PK04_095267 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N16 compound treatment 3225678.161 -566000.0 -0.61 3037643.791 -829000.0 -0.86 -1.0435 -0.9862 3068226 PK04_095268 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N17 compound treatment 3277353.846 -514000.0 -0.56 3564340.336 -303000.0 -0.31 -0.6167 -0.9632 3068455 PK04_095269 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N18 compound treatment 3402000.0 -390000.0 -0.42 3272960.159 -594000.0 -0.62 -0.7353 -0.9829 3068137 PK04_095270 CN(C)CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N19 compound treatment 3228465.035 -563000.0 -0.61 3439218.65 -428000.0 -0.44 -0.7462 -0.9878 3068647 PK04_095271 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N20 compound treatment 3187281.25 -604000.0 -0.66 3130353.414 -737000.0 -0.77 -1.0048 -0.997 3186492 PK04_095272 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N21 compound treatment 2756629.63 -1040000.0 -1.12 2796622.517 -1070000.0 -1.11 -1.5802 -1.0 3067959 PK04_095273 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N22 compound treatment 2934936.803 -857000.0 -0.93 2793530.822 -1070000.0 -1.12 -1.4458 -0.9959 3187526 PK04_095274 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)O)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N23 compound treatment 3322970.26 -469000.0 -0.51 2950033.557 -917000.0 -0.95 -1.0333 -0.9567 3068468 PK04_095275 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 N24 compound treatment 2745744.0 -1050000.0 -1.13 2485702.509 -1380000.0 -1.44 -1.8171 -0.9932 3068222 PK04_095276 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O01 compound treatment 3045834.061 -746000.0 -0.81 2982166.667 -885000.0 -0.92 -1.2221 -0.998 3068590 PK04_095277 CC(C)NC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O02 compound treatment 3207155.378 -585000.0 -0.63 3046181.034 -821000.0 -0.85 -1.0514 -0.9893 3067977 PK04_095278 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O03 compound treatment 3835471.545 43700.0 0.05 3990185.185 123000.0 0.13 0.1242 0.9084 3068512 PK04_095279 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O04 compound treatment 3740333.333 -51400.0 -0.06 3798538.117 -68300.0 -0.07 -0.0896 -0.9928 3068637 PK04_095280 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O05 compound treatment 3588440.529 -203000.0 -0.22 3512544.061 -354000.0 -0.37 -0.4163 -0.9699 3068459 PK04_095281 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O06 compound treatment 3677559.471 -114000.0 -0.12 3577068.807 -290000.0 -0.3 -0.3005 -0.9229 3187520 PK04_095282 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O07 compound treatment 3589459.916 -202000.0 -0.22 3693957.983 -173000.0 -0.18 -0.2822 -0.9951 3186989 PK04_095283 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O08 compound treatment 3745442.982 -46300.0 -0.05 3499888.889 -367000.0 -0.38 -0.3052 -0.7934 3187364 PK04_095284 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O09 compound treatment 3790350.467 -1410.0 0.0 3874703.39 7850.0 0.01 0.0047 0.5649 3068604 PK04_095285 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O10 compound treatment 3964443.966 173000.0 0.19 3612112.0 -255000.0 -0.26 -0.0548 -0.1691 3187362 PK04_095286 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O11 mock treatment 3927100.0 135000.0 0.15 3669481.172 -197000.0 -0.21 -0.0413 -0.1637 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O12 mock treatment 3873754.386 82000.0 0.09 3881835.749 15000.0 0.02 0.0739 0.8185 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O13 compound treatment 3786704.0 -5050.0 -0.01 3750239.13 -117000.0 -0.12 -0.0896 -0.7383 3068644 PK04_095287 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O14 compound treatment 3765848.214 -25900.0 -0.03 3886986.486 20100.0 0.02 -0.0051 -0.1447 3068464 PK04_095288 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O15 compound treatment 3212161.435 -580000.0 -0.63 3128122.727 -739000.0 -0.77 -0.9873 -0.9951 3187516 PK04_095289 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O16 compound treatment 3686747.036 -105000.0 -0.11 3503053.061 -364000.0 -0.38 -0.3479 -0.881 3187164 PK04_095290 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O17 compound treatment 3701333.333 -90400.0 -0.1 3543859.574 -323000.0 -0.34 -0.3067 -0.877 3187177 PK04_095291 CC(C)CNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O18 compound treatment 3457958.716 -334000.0 -0.36 3332281.853 -535000.0 -0.56 -0.6488 -0.9784 3068546 PK04_095292 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O19 compound treatment 3741283.721 -50500.0 -0.05 3284169.118 -583000.0 -0.61 -0.467 -0.7679 3187256 PK04_095293 CC(C)CNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O20 compound treatment 3597821.97 -194000.0 -0.21 3546318.548 -321000.0 -0.33 -0.3843 -0.9754 3187088 PK04_095294 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O21 compound treatment 3454515.284 -337000.0 -0.37 3023665.37 -843000.0 -0.88 -0.8783 -0.9249 3186494 PK04_095295 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(C)C)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O22 compound treatment 3505481.481 -286000.0 -0.31 3233405.858 -633000.0 -0.66 -0.6851 -0.9411 3187161 PK04_095296 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O23 compound treatment 3240624.473 -551000.0 -0.6 2956612.5 -910000.0 -0.95 -1.0916 -0.9754 3187267 PK04_095297 CC(C)CNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 O24 compound treatment 3029666.667 -762000.0 -0.83 2521078.125 -1350000.0 -1.4 -1.5734 -0.9685 3068502 PK04_095298 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P01 compound treatment 3025523.81 -766000.0 -0.83 3200906.25 -666000.0 -0.69 -1.0769 -0.9959 3068591 PK04_095299 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2CC4(CC5CC6CC(C5)C4)C6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P02 compound treatment 3537440.909 -254000.0 -0.28 3898018.692 31200.0 0.03 -0.1721 -0.6198 3187521 PK04_095300 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P03 compound treatment 3291336.032 -500000.0 -0.54 4219159.42 352000.0 0.37 -0.1247 -0.1906 3186990 PK04_095301 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P04 compound treatment 3743038.136 -48700.0 -0.05 3615266.667 -252000.0 -0.26 -0.2223 -0.8331 3186985 PK04_095302 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P05 compound treatment 3123183.333 -669000.0 -0.72 3109225.225 -758000.0 -0.79 -1.0694 -0.9991 3067579 PK04_095303 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P06 compound treatment 3805871.795 14100.0 0.02 3534090.129 -333000.0 -0.35 -0.2338 -0.6752 3186975 PK04_095304 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P07 compound treatment 3540516.667 -251000.0 -0.27 3639035.874 -228000.0 -0.24 -0.3601 -0.9976 3068548 PK04_095305 CC(C)CNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P08 compound treatment 3680880.531 -111000.0 -0.12 3595565.022 -271000.0 -0.28 -0.2844 -0.9278 3067563 PK04_095306 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CCN5CCOCC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P09 compound treatment 3512336.406 -279000.0 -0.3 3411481.651 -455000.0 -0.47 -0.5489 -0.9768 3067961 PK04_095307 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P10 compound treatment 3370184.211 -422000.0 -0.46 3431482.906 -435000.0 -0.45 -0.6432 -1.0 3068015 PK04_095308 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P11 mock treatment 3749196.347 -42600.0 -0.05 3559233.607 -308000.0 -0.32 -0.2587 -0.8009 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P12 mock treatment 3414152.091 -378000.0 -0.41 3188004.115 -679000.0 -0.71 -0.7884 -0.9665 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P13 compound treatment 3066636.042 -725000.0 -0.79 3137858.238 -729000.0 -0.76 -1.0917 -0.9998 3187510 PK04_095309 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P14 compound treatment 3372729.167 -419000.0 -0.45 2935964.0 -931000.0 -0.97 -1.0054 -0.9406 3186495 PK04_095310 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCN5CCOCC5)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P15 compound treatment 3547829.596 -244000.0 -0.26 2915665.414 -951000.0 -0.99 -0.8861 -0.8658 3187437 PK04_095311 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P16 compound treatment 3387569.672 -404000.0 -0.44 2890070.588 -977000.0 -1.02 -1.0278 -0.9294 3186625 PK04_095312 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C(C)C)C4=O)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P17 compound treatment 3273987.234 -518000.0 -0.56 3035972.332 -831000.0 -0.86 -1.0076 -0.9782 3068541 PK04_095313 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P18 compound treatment 3215381.743 -576000.0 -0.62 3081704.724 -785000.0 -0.82 -1.019 -0.9913 3186878 PK04_095314 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NC6CC6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P19 compound treatment 2571280.0 -1220000.0 -1.32 2536941.176 -1330000.0 -1.38 -1.9132 -0.9998 3187513 PK04_095315 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P20 compound treatment 2922480.0 -869000.0 -0.94 2614076.125 -1250000.0 -1.3 -1.5872 -0.9874 3068271 PK04_095316 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCc6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P21 compound treatment 2502153.355 -1290000.0 -1.4 2237600.707 -1630000.0 -1.69 -2.1862 -0.9955 3068008 PK04_095317 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P22 compound treatment 2615683.849 -1180000.0 -1.28 2314272.085 -1550000.0 -1.61 -2.0428 -0.9932 3068262 PK04_095318 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P23 compound treatment 2727880.597 -1060000.0 -1.15 2590915.129 -1280000.0 -1.33 -1.7535 -0.9976 3068469 PK04_095319 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2095 P24 compound treatment 2598080.508 -1190000.0 -1.29 2092738.281 -1770000.0 -1.84 -2.2191 -0.985 3186794 PK04_095320 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A01 compound treatment 2667040.909 -1310000.0 -1.42 2569009.174 -1530000.0 -1.59 -2.127 -0.9983 3186490 PK04_096001 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A02 compound treatment 3355398.268 -619000.0 -0.67 3713352.041 -386000.0 -0.4 -0.7582 -0.9697 3186641 PK04_096002 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A03 compound treatment 3706163.366 -268000.0 -0.29 3919406.417 -180000.0 -0.19 -0.3378 -0.9772 3068261 PK04_096003 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A04 compound treatment 3650352.679 -324000.0 -0.35 3754345.55 -345000.0 -0.36 -0.5019 -0.9999 3186971 PK04_096004 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A05 compound treatment 4078260.664 104000.0 0.11 3800196.809 -299000.0 -0.31 -0.1401 -0.4237 3186883 PK04_096005 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A06 compound treatment 3248575.758 -726000.0 -0.79 3407526.57 -692000.0 -0.72 -1.0648 -0.999 3068309 PK04_096006 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A07 compound treatment 3581288.889 -393000.0 -0.43 3658980.861 -440000.0 -0.46 -0.6249 -0.9994 3186716 PK04_096007 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A08 compound treatment 3635569.307 -339000.0 -0.37 3800597.99 -299000.0 -0.31 -0.4792 -0.9965 3068367 PK04_096008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)Sc6ccc(C)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A09 compound treatment 3800380.0 -174000.0 -0.19 3811005.076 -288000.0 -0.3 -0.3452 -0.9751 3068224 PK04_096009 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A10 compound treatment 3703217.778 -271000.0 -0.29 3848024.752 -251000.0 -0.26 -0.3925 -0.9983 3186633 PK04_096010 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5C(F)(F)F)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A11 compound treatment 3870253.886 -104000.0 -0.11 3778198.157 -321000.0 -0.33 -0.3158 -0.8963 3186986 PK04_096011 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A12 compound treatment 3944663.415 -29600.0 -0.03 4071470.588 -27800.0 -0.03 -0.0432 -0.9986 3186640 PK04_096012 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A13 mock treatment 4002739.535 28400.0 0.03 3852259.259 -247000.0 -0.26 -0.1598 -0.6178 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A14 mock treatment 3763767.442 -211000.0 -0.23 3976702.83 -123000.0 -0.13 -0.2515 -0.9621 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A15 compound treatment 3788913.706 -185000.0 -0.2 3969061.224 -130000.0 -0.14 -0.2379 -0.9815 3186881 PK04_096013 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A16 compound treatment 3765596.685 -209000.0 -0.23 3826631.579 -273000.0 -0.28 -0.3604 -0.9938 3186790 PK04_096014 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A17 compound treatment 3752440.191 -222000.0 -0.24 3860538.86 -239000.0 -0.25 -0.3456 -0.9999 3186485 PK04_096015 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A18 compound treatment 3503789.474 -471000.0 -0.51 3681526.066 -418000.0 -0.43 -0.6678 -0.9968 3186802 PK04_096016 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A19 compound treatment 3728522.523 -246000.0 -0.27 3933038.647 -166000.0 -0.17 -0.3106 -0.978 3068405 PK04_096017 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A20 compound treatment 3490879.63 -483000.0 -0.52 3569517.073 -530000.0 -0.55 -0.76 -0.9997 3068141 PK04_096018 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A21 compound treatment 3758004.587 -216000.0 -0.23 3845198.198 -254000.0 -0.26 -0.3526 -0.9982 3186624 PK04_096019 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5OC)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A22 compound treatment 3539510.04 -435000.0 -0.47 3567092.92 -532000.0 -0.55 -0.7245 -0.9968 3068200 PK04_096020 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCCN(C)C)C4=O)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A23 compound treatment 3118659.004 -856000.0 -0.93 3083852.321 -1020000.0 -1.06 -1.4023 -0.9979 3068358 PK04_096021 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 A24 compound treatment 3206923.077 -767000.0 -0.83 3004426.23 -1090000.0 -1.14 -1.393 -0.9882 3068371 PK04_096022 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B01 compound treatment 3842164.894 -132000.0 -0.14 4145078.947 45800.0 0.05 -0.0677 -0.4481 3187511 PK04_096023 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCC(F)(F)F)c3ccc(cc3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B02 compound treatment 5229907.692 1260000.0 1.36 4185901.554 86600.0 0.09 1.0263 0.7522 3187030 PK04_096024 OCCCc1cc[n+](Cc2cccc(OC(F)(F)F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B03 compound treatment 4562580.952 588000.0 0.64 4925189.189 826000.0 0.86 1.058 0.9893 3187169 PK04_096025 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B04 compound treatment 4521850.877 548000.0 0.59 4650950.0 552000.0 0.57 0.8253 0.9998 3068853 PK04_096026 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B05 compound treatment 4541296.482 567000.0 0.61 4586982.063 488000.0 0.51 0.7932 0.9954 3068457 PK04_096027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B06 compound treatment 4510794.118 536000.0 0.58 4559098.522 460000.0 0.48 0.7493 0.9952 3068854 PK04_096028 C[n+]1ccc2ccc(O)cc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B07 compound treatment 4935811.224 962000.0 1.04 5035071.77 936000.0 0.97 1.425 0.9994 3187352 PK04_096029 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCCN4CCOCC4)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B08 compound treatment 4799475.248 825000.0 0.89 4778583.333 679000.0 0.71 1.1319 0.9931 3187112 PK04_096030 COc1cc2CC[N+](=Cc2cc1O)Cc3cc4OCOc4cc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B09 compound treatment 4809053.333 835000.0 0.91 4728591.837 629000.0 0.65 1.1025 0.9873 3068505 PK04_096031 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B10 compound treatment 4729635.468 755000.0 0.82 4292942.105 194000.0 0.2 0.7214 0.8554 3068855 PK04_096032 C[n+]1ccc(CCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B11 compound treatment 4609252.688 635000.0 0.69 4478542.453 379000.0 0.39 0.7656 0.965 3068374 PK04_096033 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B12 compound treatment 3402317.647 -572000.0 -0.62 3008182.432 -1090000.0 -1.13 -1.2405 -0.9597 3187113 PK04_096034 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C=C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B13 mock treatment 4651668.293 677000.0 0.73 4962841.026 864000.0 0.9 1.154 0.995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B14 mock treatment 4481317.204 507000.0 0.55 4468155.08 369000.0 0.38 0.6598 0.9845 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B15 compound treatment 4480715.026 506000.0 0.55 4645283.422 546000.0 0.57 0.7896 0.9999 3187255 PK04_096035 COCCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B16 compound treatment 4491265.0 517000.0 0.56 4484815.0 386000.0 0.4 0.6797 0.9865 3068856 PK04_096036 Oc1ccc2cc[n+](Cc3sc4ccccc4c3Cl)cc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B17 compound treatment 4201033.898 227000.0 0.25 4579243.119 480000.0 0.5 0.5266 0.9468 3068608 PK04_096037 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B18 compound treatment 3844294.686 -130000.0 -0.14 4167657.895 68400.0 0.07 -0.0494 -0.3131 3187114 PK04_096038 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C5CC5)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B19 compound treatment 3898237.443 -76100.0 -0.08 4069039.216 -30200.0 -0.03 -0.0806 -0.9126 3187171 PK04_096039 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B20 compound treatment 3365454.545 -609000.0 -0.66 3247606.25 -852000.0 -0.89 -1.0928 -0.9896 3068857 PK04_096040 OCCCc1cc[n+](Cc2ccc(o2)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B21 compound treatment 4398017.167 424000.0 0.46 3800385.965 -299000.0 -0.31 0.1052 0.1896 3068424 PK04_096041 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B22 compound treatment 3545593.361 -429000.0 -0.46 3621094.595 -478000.0 -0.5 -0.6801 -0.9994 3187115 PK04_096042 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B23 compound treatment 3739830.189 -234000.0 -0.25 3629241.877 -470000.0 -0.49 -0.5252 -0.9537 3187072 PK04_096043 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 B24 compound treatment 3379181.818 -595000.0 -0.65 3536087.558 -563000.0 -0.59 -0.8702 -0.9988 3187116 PK04_096044 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C01 compound treatment 3483193.069 -491000.0 -0.53 3578456.311 -521000.0 -0.54 -0.7593 -1.0 3068218 PK04_096045 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C02 compound treatment 4208220.43 234000.0 0.25 4406490.0 307000.0 0.32 0.4051 0.9935 3186566 PK04_096046 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C03 compound treatment 4038640.777 64300.0 0.07 4111994.709 12700.0 0.01 0.0587 0.8264 3186549 PK04_096047 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C04 compound treatment 4359367.347 385000.0 0.42 4290200.0 191000.0 0.2 0.4355 0.9422 3186726 PK04_096048 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C05 compound treatment 4408654.206 434000.0 0.47 4294226.316 195000.0 0.2 0.4763 0.929 3186792 PK04_096049 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C06 compound treatment 4370811.518 397000.0 0.43 4115192.513 15900.0 0.02 0.3157 0.7338 3186987 PK04_096050 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C07 compound treatment 4256469.767 282000.0 0.31 3904421.296 -195000.0 -0.2 0.0731 0.1993 3068275 PK04_096051 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C08 compound treatment 3594924.171 -379000.0 -0.41 3603646.766 -496000.0 -0.52 -0.6552 -0.9938 3186560 PK04_096052 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C09 compound treatment 3650671.717 -324000.0 -0.35 3468517.413 -631000.0 -0.66 -0.7117 -0.9571 3068147 PK04_096053 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C10 compound treatment 3582491.228 -392000.0 -0.42 4228459.459 129000.0 0.13 -0.2055 -0.4611 3186976 PK04_096054 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C11 mock treatment 4138004.926 164000.0 0.18 4142967.568 43700.0 0.05 0.1576 0.8603 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C12 mock treatment 4029015.625 54700.0 0.06 3846055.276 -253000.0 -0.26 -0.1442 -0.5344 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C13 compound treatment 4075713.514 101000.0 0.11 3924414.894 -175000.0 -0.18 -0.0508 -0.239 3186974 PK04_096055 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C14 compound treatment 4005041.86 30700.0 0.03 4070406.417 -28900.0 -0.03 0.0023 0.0522 3186876 PK04_096056 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C15 mock treatment 3831686.192 -143000.0 -0.15 3946532.338 -153000.0 -0.16 -0.2216 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C16 mock treatment 3933838.235 -40500.0 -0.04 3651500.0 -448000.0 -0.47 -0.3601 -0.7704 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C17 compound treatment 3515447.005 -459000.0 -0.5 3432258.242 -667000.0 -0.69 -0.8421 -0.9868 3186553 PK04_096057 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C18 compound treatment 3964883.249 -9430.0 -0.01 4077273.224 -22000.0 -0.02 -0.0234 -0.9341 3186634 PK04_096058 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C19 compound treatment 3760502.392 -214000.0 -0.23 3513714.286 -586000.0 -0.61 -0.5943 -0.9125 3186638 PK04_096059 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C20 compound treatment 4245072.727 271000.0 0.29 3610921.296 -488000.0 -0.51 -0.1513 -0.2581 3068219 PK04_096060 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C21 compound treatment 3437976.852 -536000.0 -0.58 3342062.222 -757000.0 -0.79 -0.9677 -0.9889 3068151 PK04_096061 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C22 compound treatment 3915297.674 -59000.0 -0.06 3707014.706 -392000.0 -0.41 -0.3336 -0.8082 3068158 PK04_096062 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C23 compound treatment 3357835.749 -616000.0 -0.67 3504452.915 -595000.0 -0.62 -0.9098 -0.9992 3186800 PK04_096063 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 C24 compound treatment 3037626.794 -937000.0 -1.02 2996600.897 -1100000.0 -1.15 -1.5286 -0.9982 3068376 PK04_096064 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D01 compound treatment 3481359.813 -493000.0 -0.53 3807293.814 -292000.0 -0.3 -0.5925 -0.964 3068407 PK04_096065 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D02 compound treatment 4137204.082 163000.0 0.18 3979121.212 -120000.0 -0.12 0.0366 0.1691 3187117 PK04_096066 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D03 compound treatment 4247680.952 273000.0 0.3 3883488.372 -216000.0 -0.22 0.051 0.1372 3187274 PK04_096067 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D04 compound treatment 3717458.937 -257000.0 -0.28 3791540.107 -308000.0 -0.32 -0.4231 -0.9976 3068858 PK04_096068 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C=C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D05 compound treatment 4104157.895 130000.0 0.14 4027844.037 -71400.0 -0.07 0.047 0.2956 3187075 PK04_096069 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D06 compound treatment 4196870.813 223000.0 0.24 4364441.026 265000.0 0.28 0.3655 0.9978 3187118 PK04_096070 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D07 compound treatment 4200190.909 226000.0 0.24 4170618.421 71300.0 0.07 0.2256 0.8817 3068634 PK04_096071 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D08 compound treatment 3919310.734 -55000.0 -0.06 4020938.462 -78300.0 -0.08 -0.0997 -0.9883 3068859 PK04_096072 OCc1ccc(cc1)c2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D09 compound treatment 3836902.439 -137000.0 -0.15 3541948.187 -557000.0 -0.58 -0.515 -0.8609 3067975 PK04_096073 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D10 compound treatment 3133601.695 -841000.0 -0.91 3507009.434 -592000.0 -0.62 -1.0799 -0.9817 3068860 PK04_096074 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D11 mock treatment 3998472.222 24200.0 0.03 4462535.714 363000.0 0.38 0.2855 0.7544 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D12 mock treatment 3943142.077 -31200.0 -0.03 3632662.651 -467000.0 -0.49 -0.3668 -0.7545 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D13 compound treatment 3892654.028 -81700.0 -0.09 3588260.09 -511000.0 -0.53 -0.4382 -0.8137 3187429 PK04_096075 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D14 compound treatment 3567152.838 -407000.0 -0.44 3633192.308 -466000.0 -0.48 -0.6547 -0.9989 3187119 PK04_096076 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D15 mock treatment 3479109.312 -495000.0 -0.54 3966014.706 -133000.0 -0.14 -0.4776 -0.8613 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D16 mock treatment 3803669.565 -171000.0 -0.19 3807440.758 -292000.0 -0.3 -0.3453 -0.9719 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D17 compound treatment 3574780.769 -400000.0 -0.43 3589729.508 -510000.0 -0.53 -0.6808 -0.995 3187348 PK04_096077 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D18 compound treatment 3246880.383 -727000.0 -0.79 3401199.052 -698000.0 -0.73 -1.0708 -0.9991 3068861 PK04_096078 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C4CC4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D19 compound treatment 3656883.929 -317000.0 -0.34 3553027.778 -546000.0 -0.57 -0.6449 -0.9712 3187354 PK04_096079 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D20 compound treatment 3911763.889 -62500.0 -0.07 3259779.359 -840000.0 -0.87 -0.665 -0.7598 3187120 PK04_096080 OCc1ccc(cc1)c2cc[n+](Cc3sc4ccccc4c3Cl)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D21 compound treatment 3786578.704 -188000.0 -0.2 3329653.061 -770000.0 -0.8 -0.7096 -0.8596 3187433 PK04_096081 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D22 compound treatment 3242750.943 -732000.0 -0.79 3240154.167 -859000.0 -0.89 -1.1923 -0.9983 3068862 PK04_096082 COc1cc2CCN(C)C(C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D23 compound treatment 3315075.949 -659000.0 -0.71 3048699.187 -1050000.0 -1.09 -1.2776 -0.9789 3068462 PK04_096083 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 D24 compound treatment 2860671.111 -1110000.0 -1.21 2715464.0 -1380000.0 -1.44 -1.8709 -0.9962 3187121 PK04_096084 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E01 mock treatment 3864331.522 -110000.0 -0.12 4318168.317 219000.0 0.23 0.0766 0.298 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E02 mock treatment 4304570.048 330000.0 0.36 4569765.625 470000.0 0.49 0.599 0.9883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E03 compound treatment 4663774.51 689000.0 0.75 4411923.767 313000.0 0.32 0.7584 0.9304 3186708 PK04_096085 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E04 compound treatment 4324200.0 350000.0 0.38 4245128.205 146000.0 0.15 0.3755 0.919 3186710 PK04_096086 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E05 compound treatment 4790464.646 816000.0 0.88 5023298.429 924000.0 0.96 1.3049 0.9992 3186888 PK04_096087 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E06 compound treatment 4276524.272 302000.0 0.33 4375268.041 276000.0 0.29 0.4345 0.9978 3186565 PK04_096088 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E07 compound treatment 4712976.744 739000.0 0.8 4681979.592 583000.0 0.61 0.9946 0.9905 3186983 PK04_096089 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E08 compound treatment 4514830.275 541000.0 0.59 4662855.67 564000.0 0.59 0.8286 1.0 3067581 PK04_096090 CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E09 mock treatment 4389894.472 416000.0 0.45 4891050.251 792000.0 0.82 0.9006 0.9598 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E10 mock treatment 4536277.778 562000.0 0.61 4534688.776 435000.0 0.45 0.7509 0.9893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E11 compound treatment 4551285.714 577000.0 0.63 4481282.353 382000.0 0.4 0.7231 0.9759 3186717 PK04_096091 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E12 compound treatment 4357060.465 383000.0 0.42 4466824.885 368000.0 0.38 0.5636 0.9991 3068221 PK04_096092 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E13 compound treatment 4086846.154 113000.0 0.12 4498420.513 399000.0 0.41 0.3796 0.8779 3068273 PK04_096093 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E14 compound treatment 4019616.379 45300.0 0.05 3843047.445 -256000.0 -0.27 -0.1536 -0.5671 3068377 PK04_096094 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E15 compound treatment 4352102.459 378000.0 0.41 4348588.235 249000.0 0.26 0.4729 0.9756 3068408 PK04_096095 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E16 compound treatment 3966035.156 -8280.0 -0.01 4447235.294 348000.0 0.36 0.2494 0.6894 3186635 PK04_096096 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E17 mock treatment 4273980.952 300000.0 0.32 4428055.814 329000.0 0.34 0.4714 0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E18 mock treatment 4194936.255 221000.0 0.24 4293059.908 194000.0 0.2 0.3116 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E19 compound treatment 4442047.847 468000.0 0.51 4265210.526 166000.0 0.17 0.4806 0.8971 3186791 PK04_096097 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E20 compound treatment 4023443.983 49100.0 0.05 4756318.627 657000.0 0.68 0.5206 0.76 3068233 PK04_096098 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E21 compound treatment 4058297.17 84000.0 0.09 4542529.703 443000.0 0.46 0.3902 0.8308 3186719 PK04_096099 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)Sc6ccc(C)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E22 compound treatment 3810090.566 -164000.0 -0.18 4443591.133 344000.0 0.36 0.1272 0.3181 3186789 PK04_096100 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E23 compound treatment 3385192.14 -589000.0 -0.64 3607234.043 -492000.0 -0.51 -0.8133 -0.9939 3186803 PK04_096101 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 E24 compound treatment 3017395.349 -957000.0 -1.04 3089272.374 -1010000.0 -1.05 -1.476 -1.0 3186711 PK04_096102 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F01 mock treatment 4311846.512 338000.0 0.37 4104640.553 5360.0 0.01 0.2627 0.7178 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F02 mock treatment 4958575.61 984000.0 1.07 5231778.894 1130000.0 1.18 1.587 0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F03 compound treatment 4536237.209 562000.0 0.61 4661279.188 562000.0 0.58 0.8439 0.9998 3068521 PK04_096103 CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F04 compound treatment 4529396.825 555000.0 0.6 4850633.803 751000.0 0.78 0.9778 0.9917 3187122 PK04_096104 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F05 compound treatment 4552829.493 579000.0 0.63 4980971.014 882000.0 0.92 1.0916 0.9829 3068461 PK04_096105 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F06 compound treatment 4468685.185 494000.0 0.54 4572228.571 473000.0 0.49 0.7266 0.9991 3068863 PK04_096106 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F07 compound treatment 5053380.208 1080000.0 1.17 5019376.238 920000.0 0.96 1.5036 0.995 3187077 PK04_096107 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F08 compound treatment 4598680.952 624000.0 0.68 4439190.955 340000.0 0.35 0.7285 0.954 3187123 PK04_096108 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F09 mock treatment 4345057.522 371000.0 0.4 4471086.466 372000.0 0.39 0.5575 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F10 mock treatment 4289738.956 315000.0 0.34 4704539.604 605000.0 0.63 0.6867 0.959 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F11 compound treatment 4190682.819 216000.0 0.23 4359441.86 260000.0 0.27 0.3571 0.9975 3187438 PK04_096109 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F12 compound treatment 3720401.639 -254000.0 -0.28 3388732.794 -711000.0 -0.74 -0.7169 -0.9096 3187124 PK04_096110 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OC)c3ccc(CO)cc3)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F13 compound treatment 4384371.308 410000.0 0.44 3855345.794 -244000.0 -0.25 0.1351 0.264 3068559 PK04_096111 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4CCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F14 compound treatment 4047428.0 73100.0 0.08 3646705.036 -453000.0 -0.47 -0.2766 -0.5798 3068864 PK04_096112 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F15 compound treatment 4339276.498 365000.0 0.4 3890765.957 -209000.0 -0.22 0.1266 0.2805 3186801 PK04_096113 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F16 compound treatment 3857033.175 -117000.0 -0.13 3888944.954 -210000.0 -0.22 -0.2445 -0.9668 3187125 PK04_096114 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F17 mock treatment 4139313.305 165000.0 0.18 3506797.98 -592000.0 -0.62 -0.309 -0.4818 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F18 mock treatment 4273391.892 299000.0 0.32 3850646.341 -249000.0 -0.26 0.0466 0.1123 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F19 compound treatment 3760648.352 -214000.0 -0.23 3683178.707 -416000.0 -0.43 -0.4696 -0.9572 3186718 PK04_096115 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NC6CC6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F20 compound treatment 3781887.5 -192000.0 -0.21 3789276.151 -310000.0 -0.32 -0.3754 -0.9779 3068865 PK04_096116 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F21 compound treatment 3710478.417 -264000.0 -0.29 4025241.803 -74000.0 -0.08 -0.2567 -0.8665 3067569 PK04_096117 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F22 compound treatment 3593145.522 -381000.0 -0.41 3651336.066 -448000.0 -0.47 -0.6215 -0.9982 3187126 PK04_096118 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C=C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F23 compound treatment 3625795.455 -349000.0 -0.38 3856089.286 -243000.0 -0.25 -0.4459 -0.9809 3068643 PK04_096119 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 F24 compound treatment 3596763.948 -378000.0 -0.41 3611448.889 -488000.0 -0.51 -0.648 -0.9944 3187127 PK04_096120 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G01 compound treatment 3765730.392 -209000.0 -0.23 4520917.073 422000.0 0.44 0.15 0.3041 3186434 PK04_096121 CN(C)CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G02 compound treatment 4088553.299 114000.0 0.12 4435396.313 336000.0 0.35 0.3346 0.9028 3067602 PK04_096122 CC(C)N1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G03 mock treatment 4047151.659 72800.0 0.08 4214055.276 115000.0 0.12 0.1402 0.9799 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G04 mock treatment 4257348.039 283000.0 0.31 4474827.586 376000.0 0.39 0.493 0.9929 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G05 compound treatment 3704475.771 -270000.0 -0.29 3951980.0 -147000.0 -0.15 -0.3151 -0.9544 3068238 PK04_096123 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G06 compound treatment 3734613.636 -240000.0 -0.26 4176519.651 77200.0 0.08 -0.127 -0.4669 3068315 PK04_096124 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G07 compound treatment 4046122.642 71800.0 0.08 3708153.846 -391000.0 -0.41 -0.2324 -0.5615 3186805 PK04_096125 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G08 compound treatment 3884925.62 -89400.0 -0.1 4542388.35 443000.0 0.46 0.2571 0.5463 3186712 PK04_096126 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G09 compound treatment 4032572.549 58300.0 0.06 4451745.536 352000.0 0.37 0.3037 0.817 3068360 PK04_096127 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G10 compound treatment 4053996.124 79700.0 0.09 4197030.303 97700.0 0.1 0.1329 0.9967 3186431 PK04_096128 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N([C@@H]3c4ccc(CO)cc24)C5CCCCC5)c6ccc(cc6)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G11 compound treatment 3837243.363 -137000.0 -0.15 4291489.177 192000.0 0.2 0.0362 0.1453 3186642 PK04_096129 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G12 compound treatment 4346320.513 372000.0 0.4 4226066.079 127000.0 0.13 0.3784 0.8917 3068326 PK04_096130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G13 compound treatment 3815627.451 -159000.0 -0.17 4161891.304 62600.0 0.07 -0.0756 -0.4112 3186484 PK04_096131 CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G14 compound treatment 3681593.886 -293000.0 -0.32 3925054.299 -174000.0 -0.18 -0.3525 -0.9646 3068146 PK04_096132 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G15 compound treatment 3656415.254 -318000.0 -0.34 3832333.333 -267000.0 -0.28 -0.4399 -0.9942 3068195 PK04_096133 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C6CC6)C4=O)c7ccccc7C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G16 compound treatment 3969243.59 -5070.0 -0.01 3985269.912 -114000.0 -0.12 -0.0877 -0.7391 3068279 PK04_096134 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G17 compound treatment 3814004.348 -160000.0 -0.17 3998684.211 -101000.0 -0.1 -0.1968 -0.9704 3068328 PK04_096135 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G18 compound treatment 3811422.764 -163000.0 -0.18 3848485.83 -251000.0 -0.26 -0.3092 -0.982 3068311 PK04_096136 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G19 mock treatment 3560774.809 -414000.0 -0.45 4072107.438 -27200.0 -0.03 -0.337 -0.7502 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G20 mock treatment 4019397.26 45100.0 0.05 4105162.162 5880.0 0.01 0.0389 0.7894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G21 compound treatment 4045864.035 71600.0 0.08 4060155.251 -39100.0 -0.04 0.0261 0.298 3068284 PK04_096137 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G22 compound treatment 3993500.0 19200.0 0.02 3745455.696 -354000.0 -0.37 -0.2453 -0.666 3186501 PK04_096138 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G23 compound treatment 4346576.577 372000.0 0.4 4334908.629 236000.0 0.24 0.4586 0.9713 3186555 PK04_096139 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 G24 compound treatment 4038013.333 63700.0 0.07 3788599.01 -311000.0 -0.32 -0.1795 -0.5436 3186877 PK04_096140 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H01 compound treatment 4196832.432 223000.0 0.24 4322741.294 223000.0 0.23 0.3348 0.9998 3186629 PK04_096141 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H02 compound treatment 5031902.913 1060000.0 1.15 4943010.256 844000.0 0.88 1.431 0.9912 3068866 PK04_096142 OCc1ccc(cc1)c2cc[n+](Cc3cc4OCOc4cc3Br)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H03 mock treatment 4917652.85 943000.0 1.02 5274748.663 1180000.0 1.22 1.5872 0.9961 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H04 mock treatment 4958316.583 984000.0 1.07 5290420.792 1190000.0 1.24 1.6299 0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H05 compound treatment 4835240.838 861000.0 0.93 5281680.628 1180000.0 1.23 1.5291 0.9908 3186432 PK04_096143 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H06 compound treatment 4626124.424 652000.0 0.71 4910768.473 811000.0 0.84 1.0962 0.9961 3068867 PK04_096144 OCc1ccc(cc1)c2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H07 compound treatment 3724896.04 -249000.0 -0.27 4283000.0 184000.0 0.19 -0.0562 -0.1697 3187128 PK04_096145 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3C4CC5CC(C4)CC3C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H08 compound treatment 4428815.315 455000.0 0.49 4368191.388 269000.0 0.28 0.5461 0.9639 3068868 PK04_096146 COc1cc2CC[N+](=Cc2cc1O)Cc3sc4ccccc4c3Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H09 compound treatment 3593915.663 -380000.0 -0.41 4524953.125 426000.0 0.44 0.0212 0.0351 3186637 PK04_096147 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H10 compound treatment 4135223.256 161000.0 0.17 4375000.0 276000.0 0.29 0.326 0.9717 3187129 PK04_096148 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C4CC4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H11 compound treatment 4193593.496 219000.0 0.24 4337966.346 239000.0 0.25 0.3436 0.9998 3187130 PK04_096149 CC1(C)OB(OC1(C)C)/C=C\CC(OC(=O)c2ccncc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H12 compound treatment 4323917.031 350000.0 0.38 3833533.04 -266000.0 -0.28 0.0727 0.155 3187131 PK04_096150 C[n+]1ccc(cc1)c2ccc(CO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H13 compound treatment 4116930.233 143000.0 0.15 3895270.0 -204000.0 -0.21 -0.0406 -0.1547 3068898 PK04_096151 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)C)c2ccccc2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H14 compound treatment 3601541.667 -373000.0 -0.4 3911980.296 -187000.0 -0.19 -0.4235 -0.9439 3187132 PK04_096152 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H15 compound treatment 3521923.729 -452000.0 -0.49 3739413.793 -360000.0 -0.37 -0.6113 -0.991 3187133 PK04_096153 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H16 compound treatment 3428164.751 -546000.0 -0.59 3410012.245 -689000.0 -0.72 -0.9253 -0.9955 3187134 PK04_096154 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C2)c6cccs6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H17 compound treatment 3389759.036 -585000.0 -0.63 3201711.538 -898000.0 -0.93 -1.1079 -0.9823 3068899 PK04_096155 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)c3ccncc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H18 compound treatment 2728218.085 -1250000.0 -1.35 2673156.425 -1430000.0 -1.48 -2.0035 -0.9989 3068900 PK04_096156 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C5CC5)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H19 mock treatment 3618443.182 -356000.0 -0.39 3670590.909 -429000.0 -0.45 -0.5879 -0.9974 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H20 mock treatment 3960424.0 -13900.0 -0.02 4025044.0 -74200.0 -0.08 -0.0652 -0.8294 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H21 compound treatment 3725525.641 -249000.0 -0.27 3568828.947 -530000.0 -0.55 -0.5806 -0.9459 3187204 PK04_096157 CC(C)(C)OC(=O)COc1cccc(c1)C(=O)CCN2CCOCC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H22 compound treatment 3767065.041 -207000.0 -0.22 3793517.241 -306000.0 -0.32 -0.3836 -0.9856 3187205 PK04_096158 OCCCc1cc[n+](Cc2cc3OCOc3cc2Br)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H23 compound treatment 3803700.0 -171000.0 -0.18 3889541.284 -210000.0 -0.22 -0.285 -0.9967 3068901 PK04_096159 COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 H24 compound treatment 3414971.963 -559000.0 -0.61 3586365.217 -513000.0 -0.53 -0.8058 -0.9979 3187206 PK04_096160 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I01 compound treatment 3471711.957 -503000.0 -0.54 3838133.333 -261000.0 -0.27 -0.5773 -0.9482 3186796 PK04_096161 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I02 compound treatment 4158910.0 185000.0 0.2 4186430.769 87200.0 0.09 0.2056 0.9358 3186628 PK04_096162 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I03 compound treatment 4042599.119 68300.0 0.07 4406410.526 307000.0 0.32 0.2781 0.8486 3186882 PK04_096163 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I04 compound treatment 4042069.124 67800.0 0.07 4387935.323 289000.0 0.3 0.2641 0.855 3186797 PK04_096164 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I05 mock treatment 3903110.599 -71200.0 -0.08 4415912.664 317000.0 0.33 0.1781 0.5269 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I06 mock treatment 4104137.441 130000.0 0.14 4031809.091 -67500.0 -0.07 0.0499 0.3176 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I07 compound treatment 4127948.498 154000.0 0.17 4479196.262 380000.0 0.39 0.397 0.9263 3186430 PK04_096165 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(C5CC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I08 compound treatment 3213211.982 -761000.0 -0.83 3547580.0 -552000.0 -0.57 -0.989 -0.9842 3186557 PK04_096166 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I09 compound treatment 3635527.523 -339000.0 -0.37 3784004.808 -315000.0 -0.33 -0.4915 -0.9984 3186558 PK04_096167 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I10 compound treatment 3652336.683 -322000.0 -0.35 3387970.297 -711000.0 -0.74 -0.7697 -0.9413 3068320 PK04_096168 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I11 compound treatment 3765975.904 -208000.0 -0.23 4050697.248 -48600.0 -0.05 -0.1954 -0.8443 3068364 PK04_096169 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I12 compound treatment 3396838.174 -577000.0 -0.63 3357769.953 -742000.0 -0.77 -0.9877 -0.9947 3186489 PK04_096170 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I13 compound treatment 3680257.778 -294000.0 -0.32 3818492.424 -281000.0 -0.29 -0.4318 -0.999 3186807 PK04_096171 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I14 compound treatment 3350541.667 -624000.0 -0.68 3431570.881 -668000.0 -0.69 -0.969 -0.9999 3068281 PK04_096172 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I15 compound treatment 3595260.073 -379000.0 -0.41 3496913.223 -602000.0 -0.63 -0.7333 -0.9792 3186567 PK04_096173 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I16 compound treatment 3547412.017 -427000.0 -0.46 3440286.232 -659000.0 -0.68 -0.8116 -0.9818 3068410 PK04_096174 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I17 compound treatment 3410169.231 -564000.0 -0.61 3137831.034 -961000.0 -1.0 -1.1392 -0.9722 3186973 PK04_096175 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I18 compound treatment 3434684.411 -540000.0 -0.59 3556341.176 -543000.0 -0.56 -0.8128 -0.9998 3068148 PK04_096176 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I19 compound treatment 3568934.498 -405000.0 -0.44 3358110.204 -741000.0 -0.77 -0.8555 -0.9646 3068239 PK04_096177 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I20 compound treatment 3775943.231 -198000.0 -0.22 3608612.648 -491000.0 -0.51 -0.5127 -0.9263 3068268 PK04_096178 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I21 mock treatment 3577259.928 -397000.0 -0.43 3908929.907 -190000.0 -0.2 -0.4443 -0.9378 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I22 mock treatment 3588789.474 -386000.0 -0.42 3716167.347 -383000.0 -0.4 -0.5772 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I23 compound treatment 3762923.445 -211000.0 -0.23 3843511.628 -256000.0 -0.27 -0.3501 -0.9973 3186564 PK04_096179 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 I24 compound treatment 3188990.95 -785000.0 -0.85 3269600.0 -830000.0 -0.86 -1.2119 -1.0 3068366 PK04_096180 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J01 compound treatment 3564836.735 -409000.0 -0.44 3807821.053 -291000.0 -0.3 -0.5282 -0.9826 1230870 PK04_096181 Oc1cccc(c1)C(=O)CCN2CCOCC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J02 compound treatment 4450888.325 477000.0 0.52 4473407.767 374000.0 0.39 0.6404 0.9902 3187207 PK04_096182 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J03 compound treatment 4308047.059 334000.0 0.36 4115146.853 15900.0 0.02 0.2675 0.7386 3068902 PK04_096183 COc1ccc(CC[C@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J04 compound treatment 4149903.846 176000.0 0.19 4347135.593 248000.0 0.26 0.3168 0.9889 3187208 PK04_096184 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J05 mock treatment 4626739.13 652000.0 0.71 4669750.0 570000.0 0.59 0.9195 0.9961 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J06 mock treatment 4630733.668 656000.0 0.71 4614170.0 515000.0 0.54 0.8817 0.9901 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J07 compound treatment 4918853.659 945000.0 1.02 5028618.812 929000.0 0.97 1.4072 0.9996 3187209 PK04_096185 CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c5cccc(O)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J08 compound treatment 3890708.333 -83600.0 -0.09 3842357.513 -257000.0 -0.27 -0.2529 -0.8969 3068903 PK04_096186 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J09 compound treatment 4320551.402 346000.0 0.38 4412702.479 313000.0 0.33 0.4958 0.9975 1032549 PK04_096187 CCOC(=O)C1CCCCN1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J10 compound treatment 3987075.377 12800.0 0.01 4240747.863 141000.0 0.15 0.1138 0.7703 3187210 PK04_096188 COc1cc2CCN(C)C(C=C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J11 compound treatment 4024683.594 50400.0 0.05 4152753.247 53500.0 0.06 0.0779 1.0 3187211 PK04_096189 CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J12 compound treatment 3397268.398 -577000.0 -0.63 3615271.795 -484000.0 -0.5 -0.7981 -0.9942 3187212 PK04_096190 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4ccc(CN5CCCC5)cc4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J13 compound treatment 2987108.333 -987000.0 -1.07 3016082.707 -1080000.0 -1.13 -1.553 -0.9997 3068904 PK04_096191 [O-][N+](=O)c1cc(Br)ccc1C(=O)NCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J14 compound treatment 2281780.899 -1690000.0 -1.84 1949393.443 -2150000.0 -2.23 -2.8778 -0.9952 3068905 PK04_096192 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C=C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J15 compound treatment 3494699.275 -480000.0 -0.52 3534850.365 -564000.0 -0.59 -0.7826 -0.9982 3187213 PK04_096193 CC(=O)Nc1cc(Br)ccc1C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J16 compound treatment 2648453.333 -1330000.0 -1.44 2656255.814 -1440000.0 -1.5 -2.0771 -0.9998 3187214 PK04_096194 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5cccs5)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J17 compound treatment 3090397.887 -884000.0 -0.96 3161594.855 -938000.0 -0.97 -1.3669 -1.0 3068906 PK04_096195 CC(=O)Nc1cc(Br)ccc1C(=O)NCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J18 compound treatment 2059716.216 -1910000.0 -2.08 2138126.829 -1960000.0 -2.04 -2.9093 -1.0 3187215 PK04_096196 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5cccs5)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J19 compound treatment 3374510.791 -600000.0 -0.65 3168392.491 -931000.0 -0.97 -1.144 -0.9813 3068907 PK04_096197 Brc1ccc2c(=O)oc(nc2c1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J20 compound treatment 3196784.0 -778000.0 -0.84 3469933.628 -629000.0 -0.65 -1.0587 -0.9921 3187216 PK04_096198 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4ccc(CN5CCCC5)cc4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J21 mock treatment 3357012.903 -617000.0 -0.67 3540311.203 -559000.0 -0.58 -0.8841 -0.9975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J22 mock treatment 3292943.144 -681000.0 -0.74 3372663.968 -727000.0 -0.76 -1.0564 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J23 compound treatment 3277984.791 -696000.0 -0.76 3424039.683 -675000.0 -0.7 -1.0302 -0.9993 3068908 PK04_096199 Nc1cc(Br)ccc1C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 J24 compound treatment 3016060.87 -958000.0 -1.04 2894311.203 -1200000.0 -1.25 -1.6203 -0.9957 3068910 PK04_096200 Oc1ccc2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K01 compound treatment 3588510.417 -386000.0 -0.42 3778231.959 -321000.0 -0.33 -0.5318 -0.9937 3068198 PK04_096201 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(Cc6ccccc6)C4=O)c7ccccc7C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K02 compound treatment 3996325.893 22000.0 0.02 4451577.114 352000.0 0.37 0.2758 0.7516 3186870 PK04_096202 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K03 compound treatment 4025848.606 51500.0 0.06 4489425.641 390000.0 0.41 0.3263 0.797 3068155 PK04_096203 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K04 compound treatment 4215247.748 241000.0 0.26 4425309.623 326000.0 0.34 0.4243 0.9917 3186875 PK04_096204 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K05 compound treatment 4202638.009 228000.0 0.25 4448198.02 349000.0 0.36 0.4315 0.9827 3068359 PK04_096205 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K06 compound treatment 3996696.429 22400.0 0.02 4378262.911 279000.0 0.29 0.2222 0.7636 3186626 PK04_096206 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(F)(F)F)C4=O)c6ccccc6C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K07 mock treatment 3801030.418 -173000.0 -0.19 4317104.803 218000.0 0.23 0.0272 0.0926 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K08 mock treatment 3886333.333 -88000.0 -0.1 4333703.704 234000.0 0.24 0.1048 0.4007 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K09 compound treatment 3729957.082 -244000.0 -0.26 4080370.192 -18900.0 -0.02 -0.2012 -0.7575 3186869 PK04_096207 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K10 compound treatment 4008469.828 34200.0 0.04 4288039.301 189000.0 0.2 0.1649 0.826 3068235 PK04_096208 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K11 compound treatment 3984587.549 10300.0 0.01 4145210.744 45900.0 0.05 0.0416 0.8493 3186487 PK04_096209 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(Cc7ccccc7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K12 compound treatment 4153483.721 179000.0 0.19 4118262.5 19000.0 0.02 0.1513 0.7749 3068411 PK04_096210 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K13 compound treatment 4129934.211 156000.0 0.17 4166285.714 67000.0 0.07 0.1686 0.9234 3068329 PK04_096211 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K14 compound treatment 3886228.814 -88100.0 -0.1 3875478.088 -224000.0 -0.23 -0.232 -0.9227 3067608 PK04_096212 COCCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K15 mock treatment 3594036.304 -380000.0 -0.41 4132714.286 33400.0 0.03 -0.267 -0.6452 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K16 mock treatment 3856191.011 -118000.0 -0.13 3953608.365 -146000.0 -0.15 -0.1976 -0.9965 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K17 compound treatment 3743463.918 -231000.0 -0.25 3586080.153 -513000.0 -0.53 -0.5542 -0.9405 3186979 PK04_096213 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K18 compound treatment 3932665.385 -41600.0 -0.05 4000692.623 -98600.0 -0.1 -0.1044 -0.9322 3186636 PK04_096214 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K19 compound treatment 3662121.339 -312000.0 -0.34 3631080.153 -468000.0 -0.49 -0.5835 -0.9843 3186793 PK04_096215 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K20 compound treatment 3642709.091 -332000.0 -0.36 3944234.31 -155000.0 -0.16 -0.3682 -0.9345 3186637 PK04_096216 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K21 compound treatment 3586417.857 -388000.0 -0.42 4078580.0 -20700.0 -0.02 -0.3126 -0.7423 3067613 PK04_096217 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N(CC4(CC5CC6CC(C5)C4)C6)[C@@H]3c7ccc(CO)cc27)c8ccc(cc8)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K22 compound treatment 3641457.447 -333000.0 -0.36 4185707.965 86400.0 0.09 -0.1917 -0.5154 3186873 PK04_096218 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K23 mock treatment 3724228.448 -250000.0 -0.27 4272220.833 173000.0 0.18 -0.0646 -0.1987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 K24 mock treatment 3500781.395 -474000.0 -0.51 3560612.44 -539000.0 -0.56 -0.759 -0.9991 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L01 compound treatment 3595512.953 -379000.0 -0.41 4266543.689 167000.0 0.17 -0.1675 -0.3755 3068940 PK04_096219 Cc1nc2cc(Br)ccc2c(=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L02 compound treatment 4211452.736 237000.0 0.26 4025024.155 -74300.0 -0.08 0.1272 0.474 3187217 PK04_096220 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L03 compound treatment 4647225.0 673000.0 0.73 5309572.222 1210000.0 1.26 1.4055 0.9664 3068941 PK04_096221 CC(C)c1nc2cc(Br)ccc2c(=O)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L04 compound treatment 4892594.34 918000.0 1.0 4986896.373 888000.0 0.92 1.3564 0.9993 3068942 PK04_096222 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L05 compound treatment 4692673.077 718000.0 0.78 4816837.838 718000.0 0.75 1.0781 0.9998 3187218 PK04_096223 Cc1nc2cc(Br)ccc2c(=O)n1Cc3cccc(O)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L06 compound treatment 4828606.195 854000.0 0.93 4966659.292 867000.0 0.9 1.2925 0.9999 3068943 PK04_096224 COc1cc2CCN(C)C(c3cccs3)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L07 mock treatment 4614506.608 640000.0 0.69 4482568.093 383000.0 0.4 0.7725 0.9653 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L08 mock treatment 4794438.356 820000.0 0.89 4788305.221 689000.0 0.72 1.1352 0.9942 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L09 compound treatment 3969177.515 -5130.0 -0.01 3934478.07 -165000.0 -0.17 -0.1251 -0.7297 3187219 PK04_096225 Oc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)c3ccccc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L10 compound treatment 4088737.089 114000.0 0.12 3995058.036 -104000.0 -0.11 0.0111 0.0676 3187220 PK04_096226 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L11 compound treatment 3695940.678 -278000.0 -0.3 4199859.223 101000.0 0.1 -0.1395 -0.4367 3068944 PK04_096227 Oc1cccc(Cn2c(nc3cc(Br)ccc3c2=O)c4ccccc4)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L12 compound treatment 4131377.432 157000.0 0.17 4279471.223 180000.0 0.19 0.2529 0.9989 3187221 PK04_096228 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L13 compound treatment 4319179.372 345000.0 0.37 4046286.792 -53000.0 -0.06 0.2255 0.5965 1980253 PK04_096229 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2)/C#N)c(=O)n(c3ccccc3)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L14 compound treatment 3784631.579 -190000.0 -0.21 4639243.655 540000.0 0.56 0.2514 0.4206 3068945 PK04_096230 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L15 mock treatment 3977047.782 2740.0 0.0 4320901.961 222000.0 0.23 0.165 0.7162 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L16 mock treatment 3831782.895 -143000.0 -0.15 4309849.206 211000.0 0.22 0.0455 0.1698 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L17 compound treatment 3908071.429 -66200.0 -0.07 4151769.231 52500.0 0.05 -0.0122 -0.1353 3187222 PK04_096231 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L18 compound treatment 3625866.935 -348000.0 -0.38 3889959.276 -209000.0 -0.22 -0.421 -0.9656 3187223 PK04_096232 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6cccs6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L19 compound treatment 3510085.106 -464000.0 -0.5 3654768.966 -445000.0 -0.46 -0.6826 -0.9991 3068946 PK04_096233 Cc1c(NC(=O)/C(=C/C=C/c2ccc(cc2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L20 compound treatment 3481091.549 -493000.0 -0.53 3495535.461 -604000.0 -0.63 -0.8219 -0.9968 3187224 PK04_096234 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L21 compound treatment 3466571.429 -508000.0 -0.55 3433253.918 -666000.0 -0.69 -0.8788 -0.9936 3068947 PK04_096235 CN(C)c1ccc(/C=C/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L22 compound treatment 3432357.388 -542000.0 -0.59 3462837.545 -636000.0 -0.66 -0.8833 -0.9983 3187225 PK04_096236 COc1cc2CCN(C)C(C3CC3)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L23 mock treatment 3476473.485 -498000.0 -0.54 3459607.143 -640000.0 -0.66 -0.8518 -0.9947 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 L24 mock treatment 3094319.231 -880000.0 -0.95 2988113.281 -1110000.0 -1.15 -1.4914 -0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M01 compound treatment 2503706.161 -1470000.0 -1.59 3005708.92 -1090000.0 -1.14 -1.9312 -0.9862 3186502 PK04_096237 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M02 compound treatment 3206583.691 -768000.0 -0.83 3292772.727 -807000.0 -0.84 -1.1814 -1.0 3186497 PK04_096238 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC(C)C)c5ccccc5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M03 compound treatment 3691424.779 -283000.0 -0.31 3795562.189 -304000.0 -0.32 -0.4401 -0.9999 3068404 PK04_096239 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M04 compound treatment 3591807.829 -383000.0 -0.41 4042070.093 -57200.0 -0.06 -0.3353 -0.8003 3186643 PK04_096240 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M05 compound treatment 3358031.128 -616000.0 -0.67 3915732.759 -184000.0 -0.19 -0.6074 -0.8741 3186723 PK04_096241 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M06 compound treatment 3558604.444 -416000.0 -0.45 3979607.843 -120000.0 -0.12 -0.4067 -0.8697 3186868 PK04_096242 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M07 compound treatment 3222021.053 -752000.0 -0.82 3649295.154 -450000.0 -0.47 -0.9075 -0.9652 3186798 PK04_096243 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M08 compound treatment 3128365.145 -846000.0 -0.92 3274340.659 -825000.0 -0.86 -1.2549 -0.9994 3186799 PK04_096244 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M09 mock treatment 3652146.552 -322000.0 -0.35 3482809.129 -616000.0 -0.64 -0.7001 -0.9593 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M10 mock treatment 3346895.307 -627000.0 -0.68 3536225.564 -563000.0 -0.59 -0.8949 -0.9972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M11 compound treatment 2973243.802 -1000000.0 -1.09 2834669.291 -1260000.0 -1.31 -1.697 -0.9955 3186496 PK04_096245 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M12 compound treatment 3347914.397 -626000.0 -0.68 3443523.438 -656000.0 -0.68 -0.9622 -1.0 3068379 PK04_096246 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M13 mock treatment 3494925.62 -479000.0 -0.52 3544694.323 -555000.0 -0.58 -0.7751 -0.9987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M14 mock treatment 3525665.179 -449000.0 -0.49 3525478.992 -574000.0 -0.6 -0.7657 -0.9949 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M15 compound treatment 3574348.921 -400000.0 -0.43 3586294.326 -513000.0 -0.53 -0.6837 -0.9947 3186488 PK04_096247 CC(C)N1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M16 compound treatment 3167054.983 -807000.0 -0.88 3494608.889 -605000.0 -0.63 -1.0633 -0.9868 3186886 PK04_096248 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M17 compound treatment 3438753.304 -536000.0 -0.58 3606638.132 -493000.0 -0.51 -0.7727 -0.998 3068154 PK04_096249 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M18 compound treatment 3477282.158 -497000.0 -0.54 3617721.519 -482000.0 -0.5 -0.735 -0.9993 3068369 PK04_096250 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M19 compound treatment 3182835.165 -791000.0 -0.86 3561112.0 -538000.0 -0.56 -1.0024 -0.9785 3186727 PK04_096251 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M20 compound treatment 3349302.92 -625000.0 -0.68 3545028.926 -554000.0 -0.58 -0.8866 -0.9967 3186984 PK04_096252 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M21 compound treatment 3352101.167 -622000.0 -0.67 3215358.065 -884000.0 -0.92 -1.1267 -0.9885 3068372 PK04_096253 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M22 compound treatment 3385747.253 -589000.0 -0.64 3446276.018 -653000.0 -0.68 -0.9312 -0.9995 3186721 PK04_096254 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M23 compound treatment 2931882.576 -1040000.0 -1.13 3069502.146 -1030000.0 -1.07 -1.5561 -0.9996 3068316 PK04_096255 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 M24 compound treatment 2448862.963 -1530000.0 -1.65 2423594.142 -1680000.0 -1.74 -2.4011 -0.9997 3068283 PK04_096256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N01 compound treatment 3461447.619 -513000.0 -0.56 3581984.925 -517000.0 -0.54 -0.7734 -0.9999 1694663 PK04_096257 Cc1c(NC(=O)CC#N)c(=O)n(c2ccccc2)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N02 compound treatment 4580418.367 606000.0 0.66 4199338.235 100000.0 0.1 0.5382 0.8089 3187226 PK04_096258 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C)C=C(CCCO)C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N03 compound treatment 4820767.677 846000.0 0.92 4464706.186 365000.0 0.38 0.9176 0.9238 3068949 PK04_096259 Cc1ccccc1/C=C/C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N04 compound treatment 4364330.144 390000.0 0.42 4174791.111 75500.0 0.08 0.3545 0.8243 3187227 PK04_096260 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2ccc(CN3CCCC3)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N05 compound treatment 4010467.005 36200.0 0.04 3680539.535 -419000.0 -0.44 -0.28 -0.6408 3068950 PK04_096261 CCOc1ccc(cc1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N06 compound treatment 4107941.463 134000.0 0.14 4424054.187 325000.0 0.34 0.3412 0.9287 3187228 PK04_096262 Oc1ccc2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N07 compound treatment 3607270.742 -367000.0 -0.4 4304962.963 206000.0 0.21 -0.1302 -0.2883 3068951 PK04_096263 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N08 compound treatment 3897349.206 -77000.0 -0.08 4099766.667 486.0 0.0 -0.0586 -0.7028 3187299 PK04_096264 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4cccs4)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N09 mock treatment 4059853.383 85500.0 0.09 3939610.687 -160000.0 -0.17 -0.0518 -0.2723 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N10 mock treatment 3812314.741 -162000.0 -0.18 4261806.452 163000.0 0.17 -0.0047 -0.0195 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N11 compound treatment 3663969.697 -310000.0 -0.34 3654663.755 -445000.0 -0.46 -0.5647 -0.9878 3068985 PK04_096265 Cc1cc(C)cc(c1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N12 compound treatment 3772057.971 -202000.0 -0.22 4143785.366 44500.0 0.05 -0.1224 -0.5459 3187300 PK04_096266 COc1cc2CCN(C)C(c3ccc(CN4CCCC4)cc3)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N13 mock treatment 3728339.056 -246000.0 -0.27 3894457.944 -205000.0 -0.21 -0.3391 -0.9938 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N14 mock treatment 3844846.847 -129000.0 -0.14 3449000.0 -650000.0 -0.68 -0.5772 -0.8361 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N15 compound treatment 3616887.324 -357000.0 -0.39 3798661.017 -301000.0 -0.31 -0.495 -0.9943 3068986 PK04_096267 COc1ccc(/C=C/C=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N16 compound treatment 3272752.137 -702000.0 -0.76 3698457.944 -401000.0 -0.42 -0.8325 -0.9599 3187301 PK04_096268 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N17 compound treatment 3334863.636 -639000.0 -0.69 3524666.667 -575000.0 -0.6 -0.9126 -0.9972 3068987 PK04_096269 Cc1cccc(/C=C/C=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N18 compound treatment 3415240.816 -559000.0 -0.61 3501295.359 -598000.0 -0.62 -0.8681 -0.9999 3068988 PK04_096270 OCCCc1cc[n+](Cc2sc3ccccc3c2Cl)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N19 compound treatment 3195408.163 -779000.0 -0.84 3252270.758 -847000.0 -0.88 -1.2197 -0.9998 3068989 PK04_096271 Cc1ccc(/C=C/C=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N20 compound treatment 3075230.769 -899000.0 -0.97 3305341.564 -794000.0 -0.83 -1.2728 -0.9966 3187302 PK04_096272 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N21 compound treatment 2834120.567 -1140000.0 -1.24 2934602.041 -1160000.0 -1.21 -1.7302 -0.9999 3068990 PK04_096273 COc1cccc(/C=C/C=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N22 compound treatment 2858201.581 -1120000.0 -1.21 2878569.62 -1220000.0 -1.27 -1.7529 -0.9997 3068991 PK04_096274 Oc1ccc2cc[n+](Cc3cc4OCOc4cc3Br)cc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N23 compound treatment 2949993.007 -1020000.0 -1.11 3090092.05 -1010000.0 -1.05 -1.5271 -0.9996 3187303 PK04_096275 Clc1ccccc1/C=C/C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 N24 compound treatment 2645322.314 -1330000.0 -1.44 2471239.669 -1630000.0 -1.69 -2.2155 -0.9968 3187304 PK04_096276 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)C5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O01 compound treatment 2908637.131 -1070000.0 -1.16 3198880.383 -900000.0 -0.94 -1.4788 -0.9945 3186631 PK04_096277 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O02 compound treatment 3371257.642 -603000.0 -0.65 3578176.211 -521000.0 -0.54 -0.8454 -0.9956 3067615 PK04_096278 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O03 compound treatment 3554821.101 -419000.0 -0.45 3746913.876 -352000.0 -0.37 -0.5806 -0.9942 3186715 PK04_096279 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O04 compound treatment 3558528.634 -416000.0 -0.45 3959422.222 -140000.0 -0.15 -0.4216 -0.89 3068363 PK04_096280 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O05 compound treatment 3406232.759 -568000.0 -0.62 3438480.769 -661000.0 -0.69 -0.9212 -0.9985 3068310 PK04_096281 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O06 compound treatment 3656206.14 -318000.0 -0.34 3950106.796 -149000.0 -0.16 -0.3535 -0.9349 3068196 PK04_096282 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCN6CCOCC6)C4=O)c7ccccc7C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O07 compound treatment 3242384.937 -732000.0 -0.79 3713528.384 -386000.0 -0.4 -0.8447 -0.95 3068277 PK04_096283 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O08 compound treatment 3586174.468 -388000.0 -0.42 3694825.112 -404000.0 -0.42 -0.5948 -1.0 3186720 PK04_096284 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O09 compound treatment 3724384.977 -250000.0 -0.27 3981892.562 -117000.0 -0.12 -0.2779 -0.9351 3186632 PK04_096285 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O10 compound treatment 3633429.752 -341000.0 -0.37 3993382.222 -106000.0 -0.11 -0.3392 -0.8795 3068157 PK04_096286 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(C5CCCCC5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O11 mock treatment 3607160.494 -367000.0 -0.4 3787158.59 -312000.0 -0.32 -0.5109 -0.9948 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O12 mock treatment 3733534.884 -241000.0 -0.26 3768628.571 -331000.0 -0.34 -0.4276 -0.9908 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O13 compound treatment 3748805.43 -226000.0 -0.24 4050552.995 -48700.0 -0.05 -0.2087 -0.8358 3186874 PK04_096287 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O14 compound treatment 3563228.448 -411000.0 -0.45 3922348.936 -177000.0 -0.18 -0.4452 -0.9234 3068138 PK04_096288 COCCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O15 compound treatment 3794197.531 -180000.0 -0.2 3990631.336 -109000.0 -0.11 -0.2179 -0.9661 3186972 PK04_096289 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O16 compound treatment 3556466.96 -418000.0 -0.45 3509826.087 -589000.0 -0.61 -0.7536 -0.989 3186981 PK04_096290 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O17 compound treatment 3507274.882 -467000.0 -0.51 3510758.065 -589000.0 -0.61 -0.7906 -0.9956 3186709 PK04_096291 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O18 compound treatment 3422601.896 -552000.0 -0.6 3582169.014 -517000.0 -0.54 -0.8031 -0.9986 3186725 PK04_096292 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O19 compound treatment 3417280.335 -557000.0 -0.6 3621923.077 -477000.0 -0.5 -0.7779 -0.9952 3068321 PK04_096293 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O20 compound treatment 3298330.827 -676000.0 -0.73 3407955.102 -691000.0 -0.72 -1.0264 -1.0 3068192 PK04_096294 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O21 compound treatment 3124411.552 -850000.0 -0.92 3608510.373 -491000.0 -0.51 -1.0123 -0.9611 3068201 PK04_096295 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O22 compound treatment 3190531.034 -784000.0 -0.85 3426628.253 -673000.0 -0.7 -1.0953 -0.9953 3068381 PK04_096296 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O23 compound treatment 3182088.608 -792000.0 -0.86 3235078.261 -864000.0 -0.9 -1.2426 -0.9998 3186880 PK04_096297 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCc6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 O24 compound treatment 2608946.768 -1370000.0 -1.48 2828869.198 -1270000.0 -1.32 -1.9805 -0.9984 3186977 PK04_096298 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P01 compound treatment 3322240.909 -652000.0 -0.71 3313020.0 -786000.0 -0.82 -1.0778 -0.9974 3068992 PK04_096299 Cc1c(NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P02 compound treatment 4080775.61 106000.0 0.12 3865631.336 -234000.0 -0.24 -0.0901 -0.3351 3187305 PK04_096300 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)C2CC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P03 compound treatment 3879175.879 -95100.0 -0.1 3761732.057 -338000.0 -0.35 -0.321 -0.8778 3187306 PK04_096301 COc1cccc(/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P04 compound treatment 3712037.344 -262000.0 -0.28 3515963.964 -583000.0 -0.61 -0.6298 -0.9405 3068993 PK04_096302 COc1cc2CC[N+](=Cc2cc1O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P05 compound treatment 3785269.565 -189000.0 -0.2 3724369.458 -375000.0 -0.39 -0.4205 -0.955 3068994 PK04_096303 Cc1c(NC(=O)/C(=C/c2ccccc2Cl)/C#N)c(=O)n(c3ccccc3)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P06 compound treatment 2524354.839 -1450000.0 -1.57 2686397.727 -1410000.0 -1.47 -2.1501 -0.9994 3187307 PK04_096304 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4cccs4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P07 compound treatment 3766668.161 -208000.0 -0.23 3795933.036 -303000.0 -0.32 -0.3822 -0.9864 3187308 PK04_096305 Cc1c(NC(=O)/C(=C/c2ccc(Cl)cc2)/C#N)c(=O)n(c3ccccc3)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P08 compound treatment 3560215.517 -414000.0 -0.45 3376453.659 -723000.0 -0.75 -0.8487 -0.9697 3068995 PK04_096306 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P09 compound treatment 3086246.305 -888000.0 -0.96 3002000.0 -1100000.0 -1.14 -1.4873 -0.9965 1972122 PK04_096307 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P10 compound treatment 3350668.067 -624000.0 -0.68 3491171.429 -608000.0 -0.63 -0.9251 -0.9994 3187309 PK04_096308 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P11 mock treatment 3662164.557 -312000.0 -0.34 3642529.68 -457000.0 -0.47 -0.575 -0.9862 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P12 mock treatment 3378306.034 -596000.0 -0.65 3585622.881 -514000.0 -0.53 -0.8345 -0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P13 compound treatment 3424228.782 -550000.0 -0.6 3473790.393 -625000.0 -0.65 -0.8815 -0.9991 3068996 PK04_096309 Clc1ccc(/C=C/C=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P14 compound treatment 3204966.942 -769000.0 -0.83 3414805.556 -684000.0 -0.71 -1.0929 -0.9969 3187310 PK04_096310 COc1cc2CC[N+](=Cc2cc1O)Cc3cccc(OC(F)(F)F)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P15 compound treatment 3274500.0 -700000.0 -0.76 3391581.897 -708000.0 -0.74 -1.0567 -0.9999 3068997 PK04_096311 O=C/C=C/c1ccc2OCOc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P16 compound treatment 2365517.241 -1610000.0 -1.74 2848894.18 -1250000.0 -1.3 -2.1525 -0.9895 3187311 PK04_096312 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3ccc(CN4CCCC4)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P17 compound treatment 2709241.245 -1270000.0 -1.37 3042614.407 -1060000.0 -1.1 -1.7465 -0.9939 3068998 PK04_096313 O=C/C=C/c1ccc(cc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P18 compound treatment 2814457.49 -1160000.0 -1.26 3064512.821 -1030000.0 -1.08 -1.6498 -0.997 3187312 PK04_096314 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P19 compound treatment 2478612.167 -1500000.0 -1.62 2685080.169 -1410000.0 -1.47 -2.1861 -0.9988 3187313 PK04_096315 O=C/C=C/c1ccc(\C=C\c2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P20 compound treatment 2399474.747 -1570000.0 -1.71 2502857.143 -1600000.0 -1.66 -2.3807 -0.9999 3187314 PK04_096316 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4cccs4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P21 compound treatment 2830169.014 -1140000.0 -1.24 2702708.661 -1400000.0 -1.45 -1.9037 -0.9969 3069028 PK04_096317 [O-][N+](=O)c1cccc(c1)C2N(C(=O)CS2(=O)=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P22 compound treatment 2442623.529 -1530000.0 -1.66 2603981.618 -1500000.0 -1.55 -2.2733 -0.9995 3187315 PK04_096318 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P23 compound treatment 2529853.175 -1440000.0 -1.57 2704289.575 -1390000.0 -1.45 -2.1327 -0.9993 3069029 PK04_096319 CCOc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2096 P24 compound treatment 2399704.12 -1570000.0 -1.71 2516321.569 -1580000.0 -1.65 -2.3707 -0.9998 3187316 PK04_096320 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A01 compound treatment 3275572.016 -702000.0 -0.76 3407225.962 -587000.0 -0.61 -0.97 -0.994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A02 compound treatment 4053869.318 75900.0 0.08 3696799.043 -297000.0 -0.31 -0.1604 -0.5015 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A03 compound treatment 2452024.242 -1530000.0 -1.65 1691712.329 -2300000.0 -2.39 -2.8623 -0.9838 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A04 compound treatment 4440515.306 463000.0 0.5 4381141.414 387000.0 0.4 0.639 0.994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A05 compound treatment 4438015.544 460000.0 0.5 4077142.202 82900.0 0.09 0.4136 0.8172 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A06 compound treatment 3616910.377 -361000.0 -0.39 3698754.808 -295000.0 -0.31 -0.494 -0.9928 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A07 compound treatment 3974640.777 -3360.0 0.0 3750871.429 -243000.0 -0.25 -0.1814 -0.7172 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A08 compound treatment 3995406.114 17400.0 0.02 3973322.43 -20900.0 -0.02 -0.002 -0.0704 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A09 compound treatment 3850839.378 -127000.0 -0.14 3982037.634 -12200.0 -0.01 -0.1065 -0.7689 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A10 compound treatment 2755315.126 -1220000.0 -1.33 3715874.372 -278000.0 -0.29 -1.142 -0.8416 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A11 compound treatment 3341426.54 -637000.0 -0.69 3470261.084 -524000.0 -0.54 -0.8732 -0.9931 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A12 compound treatment 1506140.0 -2470000.0 -2.68 1566196.078 -2430000.0 -2.52 -3.6797 -0.9995 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A13 mock treatment 3863580.311 -114000.0 -0.12 4112434.066 118000.0 0.12 -9.0E-4 -0.0049 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A14 mock treatment 3707416.667 -271000.0 -0.29 3997225.806 2990.0 0.0 -0.2053 -0.6996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A15 compound treatment 2753532.338 -1220000.0 -1.33 2829051.163 -1170000.0 -1.21 -1.7952 -0.9989 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A16 compound treatment 3718974.619 -259000.0 -0.28 3769619.565 -225000.0 -0.23 -0.3637 -0.9958 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A17 compound treatment 3742137.363 -236000.0 -0.26 3779228.571 -215000.0 -0.22 -0.3389 -0.9977 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A18 compound treatment 4364212.121 386000.0 0.42 4121739.13 128000.0 0.13 0.3898 0.8875 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A19 compound treatment 4111273.684 133000.0 0.14 3652733.668 -341000.0 -0.35 -0.1488 -0.3883 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A20 compound treatment 2227157.407 -1750000.0 -1.9 2218152.174 -1780000.0 -1.85 -2.6477 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A21 compound treatment 3947726.776 -30300.0 -0.03 4210494.318 216000.0 0.22 0.1357 0.5975 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A22 compound treatment 3151426.23 -827000.0 -0.9 3698747.368 -295000.0 -0.31 -0.8509 -0.8982 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A23 compound treatment 3245533.04 -732000.0 -0.79 3057497.738 -937000.0 -0.97 -1.2501 -0.9949 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 A24 compound treatment 3717528.205 -260000.0 -0.28 2977264.84 -1020000.0 -1.06 -0.9472 -0.8657 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B01 compound treatment 3688570.0 -289000.0 -0.31 4639925.926 646000.0 0.67 0.2527 0.341 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B02 compound treatment 3837866.995 -140000.0 -0.15 3947641.35 -46600.0 -0.05 -0.1417 -0.8884 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B03 compound treatment 3573935.065 -404000.0 -0.44 4344986.784 351000.0 0.36 -0.052 -0.0912 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B04 compound treatment 4652706.468 675000.0 0.73 3756159.696 -238000.0 -0.25 0.3423 0.4432 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B05 compound treatment 4045805.0 67800.0 0.07 4184390.351 190000.0 0.2 0.1917 0.9093 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B06 compound treatment 3521334.746 -457000.0 -0.5 4187543.269 193000.0 0.2 -0.208 -0.3893 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B07 compound treatment 3500524.064 -477000.0 -0.52 3565898.396 -428000.0 -0.45 -0.6809 -0.9972 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B08 compound treatment 4860443.299 882000.0 0.96 4736716.578 742000.0 0.77 1.2223 0.9943 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B09 compound treatment 3737940.678 -240000.0 -0.26 3435426.087 -559000.0 -0.58 -0.5948 -0.9344 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B10 compound treatment 3877687.5 -100000.0 -0.11 3132654.11 -862000.0 -0.9 -0.7102 -0.7872 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B11 compound treatment 3908286.307 -69700.0 -0.08 4525829.167 532000.0 0.55 0.3373 0.6047 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B12 compound treatment 4318412.935 340000.0 0.37 3932315.789 -61900.0 -0.06 0.2155 0.5751 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B13 mock treatment 4328757.426 351000.0 0.38 4666576.355 672000.0 0.7 0.7631 0.9591 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B14 mock treatment 4395851.064 418000.0 0.45 4268853.081 275000.0 0.29 0.5222 0.9752 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B15 compound treatment 4551707.763 574000.0 0.62 4540607.306 546000.0 0.57 0.8414 0.999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B16 compound treatment 4196971.91 219000.0 0.24 4241769.634 248000.0 0.26 0.3498 0.9992 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B17 compound treatment 3501648.78 -476000.0 -0.52 3668530.612 -326000.0 -0.34 -0.6046 -0.979 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B18 compound treatment 3615722.488 -362000.0 -0.39 3721721.951 -273000.0 -0.28 -0.478 -0.9871 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B19 compound treatment 3201469.767 -777000.0 -0.84 3305312.195 -689000.0 -0.72 -1.1017 -0.9968 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B20 compound treatment 3345036.437 -633000.0 -0.69 3539414.414 -455000.0 -0.47 -0.8196 -0.9834 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B21 compound treatment 4134755.102 157000.0 0.17 3355995.392 -638000.0 -0.66 -0.3489 -0.5095 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B22 compound treatment 4462214.912 484000.0 0.53 3628389.121 -366000.0 -0.38 0.1024 0.1579 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B23 compound treatment 3407628.319 -570000.0 -0.62 3088623.967 -906000.0 -0.94 -1.1029 -0.9792 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 B24 compound treatment 3596552.743 -381000.0 -0.41 3497070.539 -497000.0 -0.52 -0.6579 -0.9939 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C01 compound treatment 3538176.166 -440000.0 -0.48 3879335.025 -115000.0 -0.12 -0.4217 -0.8577 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C02 compound treatment 3988221.198 10200.0 0.01 4462910.314 469000.0 0.49 0.3523 0.723 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C03 compound treatment 3333847.059 -644000.0 -0.7 3466408.889 -528000.0 -0.55 -0.8818 -0.9929 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C04 compound treatment 4504422.33 526000.0 0.57 4233938.144 240000.0 0.25 0.5798 0.9309 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C05 compound treatment 5212263.158 1230000.0 1.34 4898723.077 904000.0 0.94 1.6111 0.9851 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C06 compound treatment 4795664.921 818000.0 0.89 3741200.957 -253000.0 -0.26 0.4409 0.4768 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C07 compound treatment 3436107.843 -542000.0 -0.59 3755425.287 -239000.0 -0.25 -0.591 -0.9265 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C08 compound treatment 3463894.737 -514000.0 -0.56 3439849.057 -554000.0 -0.58 -0.8016 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C09 compound treatment 2614334.694 -1360000.0 -1.48 3238361.905 -756000.0 -0.79 -1.6011 -0.9562 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C10 compound treatment 4315618.28 338000.0 0.37 4292804.02 299000.0 0.31 0.4783 0.9966 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C11 mock treatment 3598831.897 -379000.0 -0.41 4380903.061 387000.0 0.4 -0.0065 -0.0113 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C12 mock treatment 4352467.391 374000.0 0.41 3928368.421 -65900.0 -0.07 0.2387 0.5797 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C13 compound treatment 3220566.667 -757000.0 -0.82 2539495.968 -1450000.0 -1.51 -1.6499 -0.9589 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C14 compound treatment 3141341.969 -837000.0 -0.91 2918056.41 -1080000.0 -1.12 -1.4324 -0.9946 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C15 mock treatment 4069673.077 91700.0 0.1 3965263.415 -29000.0 -0.03 0.049 0.4717 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C16 mock treatment 3794009.901 -184000.0 -0.2 4221948.718 228000.0 0.24 0.0263 0.085 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C17 compound treatment 3647076.142 -331000.0 -0.36 3299197.581 -695000.0 -0.72 -0.7646 -0.9478 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C18 compound treatment 3774224.39 -204000.0 -0.22 3529785.714 -464000.0 -0.48 -0.4976 -0.9372 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C19 compound treatment 3529740.741 -448000.0 -0.49 3759587.94 -235000.0 -0.24 -0.5161 -0.9491 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C20 compound treatment 3393195.238 -585000.0 -0.63 2798190.083 -1200000.0 -1.24 -1.3274 -0.9512 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C21 compound treatment 3648073.298 -330000.0 -0.36 3132463.83 -862000.0 -0.9 -0.8863 -0.9189 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C22 compound treatment 3197473.43 -781000.0 -0.85 3496635.359 -498000.0 -0.52 -0.9641 -0.9721 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C23 compound treatment 3188720.588 -789000.0 -0.86 2869047.97 -1130000.0 -1.17 -1.4321 -0.9882 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 C24 compound treatment 3244550.505 -733000.0 -0.8 3534564.593 -460000.0 -0.48 -0.9002 -0.9703 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D01 compound treatment 3555428.571 -423000.0 -0.46 4287507.389 293000.0 0.3 -0.1084 -0.197 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D02 compound treatment 4331352.632 353000.0 0.38 4424120.219 430000.0 0.45 0.5869 0.9971 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D03 compound treatment 4299051.02 321000.0 0.35 3907065.116 -87200.0 -0.09 0.1821 0.5062 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D04 compound treatment 3812809.045 -165000.0 -0.18 3243960.0 -750000.0 -0.78 -0.6781 -0.8474 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D05 compound treatment 4446691.099 469000.0 0.51 4532209.091 538000.0 0.56 0.7547 0.9989 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D06 compound treatment 2989860.0 -988000.0 -1.07 3597311.321 -397000.0 -0.41 -1.0493 -0.914 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D07 compound treatment 3435834.061 -542000.0 -0.59 4000303.03 6070.0 0.01 -0.4112 -0.6995 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D08 compound treatment 2981779.736 -996000.0 -1.08 3006082.949 -988000.0 -1.03 -1.4901 -0.9997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D09 compound treatment 3526373.206 -452000.0 -0.49 2872910.638 -1120000.0 -1.17 -1.1704 -0.9258 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D10 compound treatment 3846926.316 -131000.0 -0.14 3030043.103 -964000.0 -1.0 -0.8092 -0.7994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D11 mock treatment 4419851.282 442000.0 0.48 3890920.904 -103000.0 -0.11 0.2628 0.5353 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D12 mock treatment 3928158.974 -49800.0 -0.05 4065143.646 70900.0 0.07 0.0139 0.1521 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D13 compound treatment 3337396.226 -641000.0 -0.69 3593046.083 -401000.0 -0.42 -0.786 -0.9702 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D14 compound treatment 3813540.107 -164000.0 -0.18 3186123.223 -808000.0 -0.84 -0.72 -0.8385 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D15 mock treatment 3958857.843 -19100.0 -0.02 3547102.881 -447000.0 -0.46 -0.3433 -0.738 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D16 mock treatment 3879703.863 -98300.0 -0.11 4322083.77 328000.0 0.34 0.1656 0.4638 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D17 compound treatment 3714155.08 -264000.0 -0.29 3395545.872 -599000.0 -0.62 -0.6423 -0.9378 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D18 compound treatment 2833227.106 -1140000.0 -1.24 3382350.877 -612000.0 -0.64 -1.3274 -0.9518 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D19 compound treatment 3510644.231 -467000.0 -0.51 3406877.273 -587000.0 -0.61 -0.79 -0.9957 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D20 compound treatment 3795110.672 -183000.0 -0.2 3411641.577 -583000.0 -0.61 -0.5684 -0.8921 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D21 compound treatment 2211848.837 -1770000.0 -1.91 2582639.344 -1410000.0 -1.47 -2.3916 -0.9914 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D22 compound treatment 3655907.216 -322000.0 -0.35 2853459.35 -1140000.0 -1.19 -1.0854 -0.8781 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D23 compound treatment 3182019.512 -796000.0 -0.86 3146124.402 -848000.0 -0.88 -1.2336 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 D24 compound treatment 2896036.53 -1080000.0 -1.17 2843558.036 -1150000.0 -1.2 -1.6753 -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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E01 mock treatment 3797682.54 -180000.0 -0.2 4299426.316 305000.0 0.32 0.0861 0.2309 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E02 mock treatment 4747109.524 769000.0 0.83 4464476.636 470000.0 0.49 0.9353 0.9676 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E03 compound treatment 3502065.116 -476000.0 -0.52 4243668.478 249000.0 0.26 -0.1816 -0.3144 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E04 compound treatment 4036398.148 58400.0 0.06 3762689.189 -232000.0 -0.24 -0.1254 -0.5039 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E05 compound treatment 3771880.0 -206000.0 -0.22 3576747.706 -417000.0 -0.43 -0.4649 -0.9524 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E06 compound treatment 3049437.736 -929000.0 -1.01 3432125.628 -562000.0 -0.58 -1.1251 -0.9665 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E07 compound treatment 4473507.177 496000.0 0.54 3732994.949 -261000.0 -0.27 0.1879 0.3121 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E08 compound treatment 3792844.34 -185000.0 -0.2 3517345.725 -477000.0 -0.5 -0.4925 -0.9208 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E09 mock treatment 4496848.341 519000.0 0.56 4020313.725 26100.0 0.03 0.417 0.7403 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E10 mock treatment 4481577.32 504000.0 0.55 4147431.472 153000.0 0.16 0.4987 0.8768 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E11 compound treatment 3654128.889 -324000.0 -0.35 3421729.614 -573000.0 -0.6 -0.6691 -0.9683 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E12 compound treatment 3388009.804 -590000.0 -0.64 3769739.583 -224000.0 -0.23 -0.6173 -0.9066 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E13 compound treatment 3582160.194 -396000.0 -0.43 3466584.416 -528000.0 -0.55 -0.6913 -0.9926 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E14 compound treatment 3913800.0 -64200.0 -0.07 3327572.115 -667000.0 -0.69 -0.5392 -0.7742 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E15 compound treatment 4592229.947 614000.0 0.67 3971813.397 -22400.0 -0.02 0.4544 0.6819 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E16 compound treatment 2660857.143 -1320000.0 -1.43 3221028.986 -773000.0 -0.8 -1.5781 -0.963 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E17 mock treatment 4198470.874 220000.0 0.24 3859474.576 -135000.0 -0.14 0.07 0.2526 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E18 mock treatment 4235935.185 258000.0 0.28 4297448.276 303000.0 0.32 0.4206 0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E19 compound treatment 3635382.222 -343000.0 -0.37 3431548.673 -563000.0 -0.58 -0.6762 -0.976 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E20 compound treatment 3814723.982 -163000.0 -0.18 3950527.273 -43700.0 -0.05 -0.1573 -0.8607 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E21 compound treatment 3911785.714 -66200.0 -0.07 4765537.234 771000.0 0.8 0.5161 0.6412 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E22 compound treatment 4085087.379 107000.0 0.12 3510446.721 -484000.0 -0.5 -0.2735 -0.5299 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E23 compound treatment 3762928.571 -215000.0 -0.23 2593442.804 -1400000.0 -1.46 -1.1944 -0.81 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 E24 compound treatment 1307078.431 -2670000.0 -2.9 1528979.592 -2470000.0 -2.56 -3.8597 -0.9981 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F01 mock treatment 4062705.584 84700.0 0.09 4243082.126 249000.0 0.26 0.2478 0.9029 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F02 mock treatment 5269778.325 1290000.0 1.4 4929316.327 935000.0 0.97 1.6777 0.9841 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F03 compound treatment 2979349.206 -999000.0 -1.08 3872217.949 -122000.0 -0.13 -0.8553 -0.7846 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F04 compound treatment 4351739.726 374000.0 0.41 3154888.06 -839000.0 -0.87 -0.3304 -0.3434 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F05 compound treatment 4050602.679 72600.0 0.08 3532561.265 -462000.0 -0.48 -0.2837 -0.5833 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F06 compound treatment 3890987.552 -87000.0 -0.09 3972507.937 -21700.0 -0.02 -0.0827 -0.8523 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F07 compound treatment 3753193.396 -225000.0 -0.24 3367288.991 -627000.0 -0.65 -0.6331 -0.91 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F08 compound treatment 3931486.957 -46500.0 -0.05 3378334.694 -616000.0 -0.64 -0.4883 -0.7605 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F09 mock treatment 4725552.174 748000.0 0.81 4238902.439 245000.0 0.25 0.753 0.8864 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F10 mock treatment 4179403.162 201000.0 0.22 4407192.488 413000.0 0.43 0.4579 0.9509 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F11 compound treatment 2981971.93 -996000.0 -1.08 3598481.651 -396000.0 -0.41 -1.0545 -0.9125 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F12 compound treatment 2581007.752 -1400000.0 -1.51 3086240.175 -908000.0 -0.94 -1.7384 -0.9741 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F13 compound treatment 3082824.903 -895000.0 -0.97 3279394.737 -715000.0 -0.74 -1.2117 -0.9913 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F14 compound treatment 2964665.049 -1010000.0 -1.1 3225615.385 -769000.0 -0.8 -1.3418 -0.9877 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F15 compound treatment 3238070.485 -740000.0 -0.8 3722885.572 -271000.0 -0.28 -0.7667 -0.9016 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F16 compound treatment 3389141.026 -589000.0 -0.64 3745302.198 -249000.0 -0.26 -0.6344 -0.9209 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F17 mock treatment 3944274.262 -33700.0 -0.04 3569069.672 -425000.0 -0.44 -0.3383 -0.763 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F18 mock treatment 3967392.857 -10600.0 -0.01 3483676.724 -511000.0 -0.53 -0.3834 -0.7223 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F19 compound treatment 3343161.572 -635000.0 -0.69 3520923.445 -473000.0 -0.49 -0.8346 -0.9864 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F20 compound treatment 5107610.811 1130000.0 1.22 4022095.023 27900.0 0.03 0.8865 0.7236 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F21 compound treatment 3669583.673 -308000.0 -0.33 3288055.777 -706000.0 -0.73 -0.7555 -0.9366 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F22 compound treatment 3886319.502 -91700.0 -0.1 3709884.12 -284000.0 -0.3 -0.2793 -0.8956 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F23 compound treatment 2122861.635 -1860000.0 -2.01 2212411.29 -1780000.0 -1.85 -2.7319 -0.9991 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 F24 compound treatment 2910334.842 -1070000.0 -1.16 2890059.633 -1100000.0 -1.15 -1.6301 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G01 compound treatment 3204639.423 -773000.0 -0.84 2750297.436 -1240000.0 -1.29 -1.5072 -0.978 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G02 compound treatment 3705880.0 -272000.0 -0.3 4011345.794 17100.0 0.02 -0.1961 -0.6633 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G03 mock treatment 3960336.283 -17700.0 -0.02 4699138.614 705000.0 0.73 0.5045 0.6884 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G04 mock treatment 4446027.397 468000.0 0.51 4484807.292 491000.0 0.51 0.7194 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G05 compound treatment 3435115.702 -543000.0 -0.59 3457781.377 -536000.0 -0.56 -0.8105 -0.9996 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G06 compound treatment 3302945.946 -675000.0 -0.73 4315241.758 321000.0 0.33 -0.2816 -0.3501 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G07 compound treatment 3194958.506 -783000.0 -0.85 3222730.924 -772000.0 -0.8 -1.1674 -0.9996 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G08 compound treatment 3839117.391 -139000.0 -0.15 3870597.285 -124000.0 -0.13 -0.1974 -0.9969 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G09 compound treatment 3951564.22 -26400.0 -0.03 3697535.0 -297000.0 -0.31 -0.2383 -0.7695 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G10 compound treatment 3904088.983 -73900.0 -0.08 3847850.0 -146000.0 -0.15 -0.1643 -0.9552 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G11 compound treatment 3361575.342 -616000.0 -0.67 3103874.439 -890000.0 -0.93 -1.127 -0.9872 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G12 compound treatment 3275770.701 -702000.0 -0.76 3263304.348 -731000.0 -0.76 -1.0756 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G13 compound treatment 3614403.292 -364000.0 -0.39 3707926.087 -286000.0 -0.3 -0.4892 -0.9904 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G14 compound treatment 3769265.0 -209000.0 -0.23 3509719.807 -485000.0 -0.5 -0.5161 -0.9348 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G15 compound treatment 3560535.885 -417000.0 -0.45 3906346.154 -87900.0 -0.09 -0.3847 -0.833 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G16 compound treatment 3963227.053 -14800.0 -0.02 4031331.797 37100.0 0.04 0.0159 0.3817 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G17 compound treatment 4346853.535 369000.0 0.4 4367380.952 373000.0 0.39 0.557 0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G18 compound treatment 4389017.467 411000.0 0.45 4060985.577 66800.0 0.07 0.3642 0.8075 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G19 mock treatment 4189828.194 212000.0 0.23 4161873.874 168000.0 0.17 0.2856 0.9907 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G20 mock treatment 4001749.035 23700.0 0.03 3925894.34 -68300.0 -0.07 -0.032 -0.4238 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G21 compound treatment 4395979.253 418000.0 0.45 4410478.261 416000.0 0.43 0.6264 0.9997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G22 compound treatment 4443807.882 466000.0 0.51 3773240.343 -221000.0 -0.23 0.1947 0.3509 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G23 compound treatment 4883308.14 905000.0 0.98 4259890.0 266000.0 0.28 0.8893 0.8722 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 G24 compound treatment 2623282.895 -1350000.0 -1.47 2965257.485 -1030000.0 -1.07 -1.7949 -0.9879 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H01 compound treatment 3226551.351 -751000.0 -0.81 3322436.019 -672000.0 -0.7 -1.0699 -0.997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H02 compound treatment 4436281.553 458000.0 0.5 4788519.231 794000.0 0.83 0.9351 0.9705 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H03 mock treatment 4850483.871 872000.0 0.95 5306809.524 1310000.0 1.36 1.6336 0.984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H04 mock treatment 4790763.889 813000.0 0.88 4994648.936 1000000.0 1.04 1.3584 0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H05 compound treatment 3023843.318 -954000.0 -1.03 2748081.301 -1250000.0 -1.3 -1.6474 -0.9938 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H06 compound treatment 3749746.781 -228000.0 -0.25 4059592.417 65400.0 0.07 -0.127 -0.4947 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H07 compound treatment 4875098.901 897000.0 0.97 4024134.021 29900.0 0.03 0.7098 0.7293 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H08 compound treatment 4445530.233 468000.0 0.51 4559509.009 565000.0 0.59 0.7739 0.9973 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H09 compound treatment 2948865.497 -1030000.0 -1.12 3301476.596 -693000.0 -0.72 -1.2982 -0.9775 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H10 compound treatment 3978480.0 477.0 0.0 4161591.837 167000.0 0.17 0.1234 0.7092 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H11 compound treatment 2249947.368 -1730000.0 -1.87 1744708.738 -2250000.0 -2.34 -2.9782 -0.994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H12 compound treatment 3856311.224 -122000.0 -0.13 3654964.646 -339000.0 -0.35 -0.3427 -0.9101 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H13 compound treatment 3418400.0 -560000.0 -0.61 3366186.047 -628000.0 -0.65 -0.8906 -0.9993 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H14 compound treatment 3748804.545 -229000.0 -0.25 3792186.275 -202000.0 -0.21 -0.3242 -0.9965 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H15 compound treatment 3885843.602 -92200.0 -0.1 3749930.876 -244000.0 -0.25 -0.2502 -0.9169 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H16 compound treatment 3799949.074 -178000.0 -0.19 3824722.222 -170000.0 -0.18 -0.2611 -0.999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H17 compound treatment 3966055.046 -11900.0 -0.01 3756287.449 -238000.0 -0.25 -0.184 -0.7431 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H18 compound treatment 3878441.86 -99600.0 -0.11 3102978.07 -891000.0 -0.93 -0.7314 -0.7842 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H19 mock treatment 3432277.027 -546000.0 -0.59 3687834.677 -306000.0 -0.32 -0.6436 -0.9578 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H20 mock treatment 3602124.088 -376000.0 -0.41 3704667.87 -290000.0 -0.3 -0.501 -0.9889 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H21 compound treatment 3874808.889 -103000.0 -0.11 4101663.507 107000.0 0.11 -2.0E-4 -0.001 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H22 compound treatment 4023138.249 45100.0 0.05 3822636.752 -172000.0 -0.18 -0.0915 -0.4948 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H23 compound treatment 3865191.781 -113000.0 -0.12 3441790.795 -552000.0 -0.57 -0.4925 -0.8389 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 H24 compound treatment 3631122.34 -347000.0 -0.38 4087269.663 93000.0 0.1 -0.1976 -0.5088 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I01 compound treatment 3644664.975 -333000.0 -0.36 3394382.979 -600000.0 -0.62 -0.6964 -0.9664 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I02 compound treatment 4221956.522 244000.0 0.26 3996801.843 2570.0 0.0 0.1889 0.7142 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I03 compound treatment 3344753.425 -633000.0 -0.69 2738254.902 -1260000.0 -1.31 -1.4086 -0.955 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I04 compound treatment 3674529.412 -303000.0 -0.33 3528263.83 -466000.0 -0.48 -0.5751 -0.9823 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I05 mock treatment 4041042.254 63000.0 0.07 4285469.767 291000.0 0.3 0.2624 0.8455 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I06 mock treatment 4099725.322 122000.0 0.13 3786842.742 -207000.0 -0.22 -0.0591 -0.2338 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I07 compound treatment 3203637.555 -774000.0 -0.84 3331622.881 -663000.0 -0.69 -1.0807 -0.9952 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I08 compound treatment 4262558.685 285000.0 0.31 3700120.192 -294000.0 -0.31 0.002 0.0046 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I09 compound treatment 2577909.722 -1400000.0 -1.52 3224511.737 -770000.0 -0.8 -1.6392 -0.9552 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I10 compound treatment 2961459.227 -1020000.0 -1.1 3597298.165 -397000.0 -0.41 -1.0711 -0.9101 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I11 compound treatment 3135924.623 -842000.0 -0.91 3666012.931 -328000.0 -0.34 -0.8868 -0.9099 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I12 compound treatment 3019102.804 -959000.0 -1.04 3001770.27 -992000.0 -1.03 -1.4646 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I13 compound treatment 3243086.364 -735000.0 -0.8 3291410.256 -703000.0 -0.73 -1.08 -0.9991 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I14 compound treatment 3278729.358 -699000.0 -0.76 3108085.586 -886000.0 -0.92 -1.1874 -0.9953 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I15 compound treatment 3207439.834 -771000.0 -0.84 3386454.148 -608000.0 -0.63 -1.0375 -0.9905 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I16 compound treatment 3240349.624 -738000.0 -0.8 3216119.565 -778000.0 -0.81 -1.1374 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I17 compound treatment 3193062.5 -785000.0 -0.85 3285988.142 -708000.0 -0.74 -1.1224 -0.9974 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I18 compound treatment 3291319.728 -687000.0 -0.74 3402539.855 -592000.0 -0.62 -0.9614 -0.9955 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I19 compound treatment 2835530.612 -1140000.0 -1.24 3833776.256 -160000.0 -0.17 -0.9939 -0.7951 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I20 compound treatment 3594859.504 -383000.0 -0.42 4168753.363 175000.0 0.18 -0.1655 -0.3651 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I21 mock treatment 3792039.474 -186000.0 -0.2 3784418.327 -210000.0 -0.22 -0.2968 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I22 mock treatment 3526678.261 -451000.0 -0.49 3650787.77 -343000.0 -0.36 -0.5985 -0.988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I23 compound treatment 3779074.866 -199000.0 -0.22 3719396.907 -275000.0 -0.29 -0.3545 -0.9904 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 I24 compound treatment 2453395.973 -1520000.0 -1.65 2227715.909 -1770000.0 -1.84 -2.4673 -0.9986 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J01 compound treatment 3439175.0 -539000.0 -0.58 4633239.583 639000.0 0.66 0.0565 0.0639 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J02 compound treatment 3556191.111 -422000.0 -0.46 4410534.031 416000.0 0.43 -0.0174 -0.0277 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J03 compound treatment 3676008.584 -302000.0 -0.33 3220387.218 -774000.0 -0.8 -0.8003 -0.9215 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J04 compound treatment 4255368.182 277000.0 0.3 4096774.892 103000.0 0.11 0.288 0.9027 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J05 mock treatment 4939128.713 961000.0 1.04 4900734.3 907000.0 0.94 1.4031 0.9987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J06 mock treatment 4657180.617 679000.0 0.74 4841862.832 848000.0 0.88 1.1437 0.996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J07 compound treatment 3819392.241 -159000.0 -0.17 3717217.391 -277000.0 -0.29 -0.3252 -0.9697 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J08 compound treatment 3891487.705 -86500.0 -0.09 3814508.621 -180000.0 -0.19 -0.1984 -0.9492 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J09 compound treatment 3912657.258 -65300.0 -0.07 3693389.423 -301000.0 -0.31 -0.2712 -0.8459 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J10 compound treatment 4240466.667 262000.0 0.28 3582253.521 -412000.0 -0.43 -0.1016 -0.1975 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J11 compound treatment 3025440.367 -953000.0 -1.03 3326208.955 -668000.0 -0.69 -1.2213 -0.9813 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J12 compound treatment 3420594.378 -557000.0 -0.6 3645209.607 -349000.0 -0.36 -0.6839 -0.9702 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J13 compound treatment 3139477.011 -839000.0 -0.91 3719569.378 -275000.0 -0.29 -0.8448 -0.8865 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J14 compound treatment 3452130.233 -526000.0 -0.57 3640291.08 -354000.0 -0.37 -0.6633 -0.9775 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J15 compound treatment 3027761.658 -950000.0 -1.03 3704091.346 -290000.0 -0.3 -0.9418 -0.8773 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J16 compound treatment 2759689.243 -1220000.0 -1.32 2963570.796 -1030000.0 -1.07 -1.6916 -0.9946 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J17 compound treatment 2390172.619 -1590000.0 -1.72 2838626.866 -1160000.0 -1.2 -2.0667 -0.9845 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J18 compound treatment 4470820.628 493000.0 0.53 3982996.0 -11200.0 -0.01 0.3696 0.6915 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J19 compound treatment 3019007.782 -959000.0 -1.04 3304437.722 -690000.0 -0.72 -1.2422 -0.9835 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J20 compound treatment 2861645.051 -1120000.0 -1.21 2905454.849 -1090000.0 -1.13 -1.6561 -0.9994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J21 mock treatment 3408339.286 -570000.0 -0.62 3208711.538 -786000.0 -0.82 -1.0141 -0.9905 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J22 mock treatment 3271423.077 -707000.0 -0.77 3317860.627 -676000.0 -0.7 -1.0388 -0.9991 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J23 compound treatment 3070104.839 -908000.0 -0.98 4025037.559 30800.0 0.03 -0.6734 -0.6837 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 J24 compound treatment 3041497.717 -937000.0 -1.02 3342711.628 -652000.0 -0.68 -1.1969 -0.9806 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K01 compound treatment 3680807.292 -297000.0 -0.32 3028065.421 -966000.0 -1.0 -0.938 -0.8893 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K02 compound treatment 3803889.952 -174000.0 -0.19 3484693.798 -510000.0 -0.53 -0.508 -0.9035 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K03 compound treatment 3642197.044 -336000.0 -0.36 3500794.239 -493000.0 -0.51 -0.6201 -0.9859 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K04 compound treatment 4610060.086 632000.0 0.69 4030346.667 36100.0 0.04 0.5111 0.7447 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K05 compound treatment 3912648.889 -65400.0 -0.07 3971958.525 -22300.0 -0.02 -0.0665 -0.8917 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K06 compound treatment 4147948.276 170000.0 0.18 3420052.632 -574000.0 -0.6 -0.2917 -0.467 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K07 mock treatment 4129078.341 151000.0 0.16 4043373.585 49100.0 0.05 0.1519 0.8855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K08 mock treatment 3826758.621 -151000.0 -0.16 4235091.743 241000.0 0.25 0.0611 0.204 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K09 compound treatment 4222857.868 245000.0 0.27 4263828.729 270000.0 0.28 0.3859 0.9996 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K10 compound treatment 3073836.82 -904000.0 -0.98 3538111.628 -456000.0 -0.47 -1.0285 -0.9444 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K11 compound treatment 4031965.517 54000.0 0.06 3993976.285 -257.0 0.0 0.0412 0.7039 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K12 compound treatment 3422882.813 -555000.0 -0.6 3290485.507 -704000.0 -0.73 -0.9428 -0.9953 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K13 compound treatment 3168569.17 -809000.0 -0.88 3483466.667 -511000.0 -0.53 -0.996 -0.971 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K14 compound treatment 3483913.706 -494000.0 -0.54 3492207.65 -502000.0 -0.52 -0.7478 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K15 mock treatment 3751267.442 -227000.0 -0.25 3723929.53 -270000.0 -0.28 -0.3725 -0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K16 mock treatment 3816703.008 -161000.0 -0.17 3766752.475 -227000.0 -0.24 -0.2909 -0.989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K17 compound treatment 3916208.531 -61800.0 -0.07 4156447.368 162000.0 0.17 0.0718 0.396 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K18 compound treatment 3531463.71 -447000.0 -0.48 4289492.683 295000.0 0.31 -0.1253 -0.2187 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K19 compound treatment 3796009.662 -182000.0 -0.2 3561653.061 -433000.0 -0.45 -0.4575 -0.9317 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K20 compound treatment 2855543.75 -1120000.0 -1.22 4480262.136 486000.0 0.51 -0.5034 -0.382 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K21 compound treatment 4050870.536 72900.0 0.08 4040793.478 46600.0 0.05 0.0901 0.9723 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K22 compound treatment 3723922.374 -254000.0 -0.28 4394046.154 400000.0 0.42 0.0991 0.1987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K23 mock treatment 3746181.467 -232000.0 -0.25 4147310.811 153000.0 0.16 -0.0652 -0.2193 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 K24 mock treatment 3487415.929 -491000.0 -0.53 3664700.0 -330000.0 -0.34 -0.6183 -0.9773 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L01 compound treatment 2804850.0 -1170000.0 -1.27 2877098.592 -1120000.0 -1.16 -1.7205 -0.999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L02 compound treatment 3230301.31 -748000.0 -0.81 3168717.647 -826000.0 -0.86 -1.18 -0.9996 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L03 compound treatment 3770448.485 -208000.0 -0.23 3824600.0 -170000.0 -0.18 -0.2838 -0.9927 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L04 compound treatment 4444934.426 467000.0 0.51 4738645.022 744000.0 0.77 0.9051 0.9789 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L05 compound treatment 5022835.821 1040000.0 1.13 4779319.249 785000.0 0.82 1.3781 0.987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L06 compound treatment 3678657.718 -299000.0 -0.32 4797350.0 803000.0 0.83 0.3608 0.4028 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L07 mock treatment 4731850.0 754000.0 0.82 4930956.863 937000.0 0.97 1.2664 0.9962 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L08 mock treatment 4698480.392 720000.0 0.78 4863920.561 870000.0 0.9 1.1916 0.9974 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L09 compound treatment 4354004.831 376000.0 0.41 4636815.668 643000.0 0.67 0.7606 0.972 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L10 compound treatment 4086661.017 109000.0 0.12 4453960.199 460000.0 0.48 0.4212 0.8558 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L11 compound treatment 3942766.52 -35200.0 -0.04 3502553.506 -492000.0 -0.51 -0.3884 -0.7579 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L12 compound treatment 4069826.291 91800.0 0.1 4789063.725 795000.0 0.83 0.6546 0.7866 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L13 compound treatment 3916204.188 -61800.0 -0.07 3799100.0 -195000.0 -0.2 -0.1908 -0.8932 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L14 compound treatment 5039163.636 1060000.0 1.15 4418000.0 424000.0 0.44 1.125 0.9132 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L15 mock treatment 4091104.762 113000.0 0.12 4040847.39 46600.0 0.05 0.121 0.9175 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L16 mock treatment 3552463.333 -426000.0 -0.46 3863087.719 -131000.0 -0.14 -0.4226 -0.8785 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L17 compound treatment 4530965.174 553000.0 0.6 4745865.591 752000.0 0.78 0.9764 0.9915 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L18 compound treatment 4233458.15 255000.0 0.28 4415635.556 421000.0 0.44 0.5056 0.9756 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L19 compound treatment 4989924.623 1010000.0 1.1 4730943.005 737000.0 0.77 1.3173 0.9845 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L20 compound treatment 3799249.147 -179000.0 -0.19 3990612.782 -3620.0 0.0 -0.1397 -0.7207 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L21 compound treatment 4383384.279 405000.0 0.44 3633338.912 -361000.0 -0.38 0.0456 0.0788 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L22 compound treatment 3920944.206 -57100.0 -0.06 3874965.398 -119000.0 -0.12 -0.1314 -0.9484 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L23 mock treatment 3594241.667 -384000.0 -0.42 3776651.685 -218000.0 -0.23 -0.4541 -0.9589 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 L24 mock treatment 3250831.933 -727000.0 -0.79 3346196.364 -648000.0 -0.67 -1.0338 -0.9969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M01 compound treatment 2269539.474 -1710000.0 -1.85 2806214.286 -1190000.0 -1.23 -2.183 -0.9806 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M02 compound treatment 3091588.235 -886000.0 -0.96 2964745.536 -1030000.0 -1.07 -1.4363 -0.9986 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M03 compound treatment 3067188.462 -911000.0 -0.99 3256529.167 -738000.0 -0.77 -1.2405 -0.9922 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M04 compound treatment 3582430.83 -396000.0 -0.43 3118049.43 -876000.0 -0.91 -0.9473 -0.941 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M05 compound treatment 3921266.01 -56700.0 -0.06 3888853.081 -105000.0 -0.11 -0.121 -0.9628 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M06 compound treatment 3385117.347 -593000.0 -0.64 3244735.849 -749000.0 -0.78 -1.0054 -0.9954 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M07 compound treatment 2670919.355 -1310000.0 -1.42 2852047.619 -1140000.0 -1.19 -1.8416 -0.9961 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M08 compound treatment 3427726.316 -550000.0 -0.6 3325153.488 -669000.0 -0.7 -0.9137 -0.9971 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M09 mock treatment 3523727.7 -454000.0 -0.49 3190414.179 -804000.0 -0.84 -0.9391 -0.9682 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M10 mock treatment 3389688.976 -588000.0 -0.64 3411662.551 -583000.0 -0.61 -0.8792 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M11 compound treatment 3582773.148 -395000.0 -0.43 3576487.705 -418000.0 -0.43 -0.6101 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M12 compound treatment 3704356.828 -274000.0 -0.3 3358064.935 -636000.0 -0.66 -0.6774 -0.9346 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M13 mock treatment 3399500.0 -579000.0 -0.63 3221482.906 -773000.0 -0.8 -1.0115 -0.9925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M14 mock treatment 3430137.097 -548000.0 -0.59 3001221.453 -993000.0 -1.03 -1.1499 -0.9656 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M15 compound treatment 3628445.026 -350000.0 -0.38 3191314.815 -803000.0 -0.83 -0.8581 -0.9362 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M16 compound treatment 3188214.008 -790000.0 -0.86 3700004.329 -294000.0 -0.31 -0.8218 -0.9037 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M17 compound treatment 2309351.111 -1670000.0 -1.81 2235524.664 -1760000.0 -1.83 -2.5719 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M18 compound treatment 3254712.375 -723000.0 -0.78 3084372.385 -910000.0 -0.95 -1.2233 -0.9957 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M19 compound treatment 3658275.109 -320000.0 -0.35 3971562.791 -22700.0 -0.02 -0.2618 -0.7534 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M20 compound treatment 4136596.244 159000.0 0.17 4116153.509 122000.0 0.13 0.2112 0.9887 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M21 compound treatment 3870033.195 -108000.0 -0.12 3808623.016 -186000.0 -0.19 -0.2192 -0.9713 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M22 compound treatment 3730259.542 -248000.0 -0.27 4202575.758 208000.0 0.22 -0.0368 -0.1067 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M23 compound treatment 2881940.0 -1100000.0 -1.19 2629791.809 -1360000.0 -1.42 -1.8432 -0.9961 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 M24 compound treatment 2494931.034 -1480000.0 -1.61 2720059.361 -1270000.0 -1.32 -2.0735 -0.9954 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N01 compound treatment 3176317.972 -802000.0 -0.87 3165255.23 -829000.0 -0.86 -1.2239 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N02 compound treatment 3369816.143 -608000.0 -0.66 3371020.576 -623000.0 -0.65 -0.9243 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N03 compound treatment 4326384.937 348000.0 0.38 3786840.909 -207000.0 -0.22 0.1147 0.2637 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N04 compound treatment 3742039.301 -236000.0 -0.26 4090035.398 95800.0 0.1 -0.1105 -0.4025 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N05 compound treatment 3820359.813 -158000.0 -0.17 3737032.52 -257000.0 -0.27 -0.3099 -0.9766 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N06 compound treatment 4126912.664 149000.0 0.16 3856183.857 -138000.0 -0.14 0.0127 0.0588 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N07 compound treatment 3312023.364 -666000.0 -0.72 2761348.148 -1230000.0 -1.28 -1.4167 -0.9632 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N08 compound treatment 3970341.709 -7660.0 -0.01 3648658.986 -346000.0 -0.36 -0.2599 -0.7233 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N09 mock treatment 4335959.641 358000.0 0.39 3928781.893 -65500.0 -0.07 0.2263 0.5744 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N10 mock treatment 4295804.348 318000.0 0.34 3596584.906 -398000.0 -0.41 -0.0486 -0.0903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N11 compound treatment 3526193.694 -452000.0 -0.49 3572941.176 -421000.0 -0.44 -0.656 -0.9984 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N12 compound treatment 3610110.497 -368000.0 -0.4 3097569.767 -897000.0 -0.93 -0.9411 -0.9283 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N13 mock treatment 3812891.775 -165000.0 -0.18 3382164.794 -612000.0 -0.64 -0.5764 -0.8722 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N14 mock treatment 3944198.276 -33800.0 -0.04 3376083.333 -618000.0 -0.64 -0.4802 -0.7462 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N15 compound treatment 3617577.075 -360000.0 -0.39 3960713.656 -33500.0 -0.03 -0.301 -0.7671 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N16 compound treatment 4026374.408 48400.0 0.05 3281879.245 -712000.0 -0.74 -0.4865 -0.6554 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N17 compound treatment 3962576.19 -15400.0 -0.02 3493548.523 -501000.0 -0.52 -0.3798 -0.7295 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N18 compound treatment 4041458.716 63500.0 0.07 3636181.818 -358000.0 -0.37 -0.2145 -0.5668 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N19 compound treatment 3569504.348 -408000.0 -0.44 3258985.56 -735000.0 -0.76 -0.8536 -0.9664 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N20 compound treatment 3815651.163 -162000.0 -0.18 3468271.739 -526000.0 -0.55 -0.511 -0.8898 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N21 compound treatment 2954797.71 -1020000.0 -1.11 2847274.448 -1150000.0 -1.19 -1.6275 -0.9994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N22 compound treatment 3075027.972 -903000.0 -0.98 2986768.987 -1010000.0 -1.05 -1.4328 -0.9994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N23 compound treatment 3824568.465 -153000.0 -0.17 3350360.153 -644000.0 -0.67 -0.5909 -0.8568 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 N24 compound treatment 2735815.166 -1240000.0 -1.35 2909803.15 -1080000.0 -1.13 -1.7494 -0.9961 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O01 compound treatment 2936923.077 -1040000.0 -1.13 3378372.197 -616000.0 -0.64 -1.2508 -0.9639 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O02 compound treatment 3451742.574 -526000.0 -0.57 3306602.459 -688000.0 -0.71 -0.9089 -0.9938 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O03 compound treatment 4133185.185 155000.0 0.17 3858985.577 -135000.0 -0.14 0.0196 0.0893 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O04 compound treatment 2781284.585 -1200000.0 -1.3 2836506.173 -1160000.0 -1.2 -1.7684 -0.9993 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O05 compound treatment 2925941.406 -1050000.0 -1.14 3430164.557 -564000.0 -0.59 -1.2212 -0.9521 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O06 compound treatment 4119553.03 142000.0 0.15 4558757.322 565000.0 0.59 0.5234 0.863 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O07 compound treatment 3939092.784 -38900.0 -0.04 3188495.652 -806000.0 -0.84 -0.622 -0.7418 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O08 compound treatment 4059251.185 81200.0 0.09 3970700.935 -23500.0 -0.02 0.045 0.4922 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O09 compound treatment 3355602.564 -622000.0 -0.67 3479704.036 -515000.0 -0.53 -0.8554 -0.9934 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O10 compound treatment 3805962.963 -172000.0 -0.19 3740671.569 -254000.0 -0.26 -0.3183 -0.9857 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O11 mock treatment 3684055.556 -294000.0 -0.32 3519675.182 -475000.0 -0.49 -0.5742 -0.9777 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O12 mock treatment 3416315.353 -562000.0 -0.61 3566331.933 -428000.0 -0.44 -0.7451 -0.9881 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O13 compound treatment 4189765.027 212000.0 0.23 2793816.794 -1200000.0 -1.25 -0.7199 -0.5675 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O14 compound treatment 3491821.739 -486000.0 -0.53 3737767.196 -256000.0 -0.27 -0.5612 -0.9501 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O15 compound treatment 3842896.226 -135000.0 -0.15 3699422.111 -295000.0 -0.31 -0.3203 -0.9429 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O16 compound treatment 3081483.871 -897000.0 -0.97 2744699.67 -1250000.0 -1.3 -1.6057 -0.9898 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O17 compound treatment 3911707.763 -66300.0 -0.07 4682892.157 689000.0 0.72 0.4553 0.6329 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O18 compound treatment 2804178.03 -1170000.0 -1.27 3194866.337 -799000.0 -0.83 -1.4875 -0.9786 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O19 compound treatment 4022732.984 44700.0 0.05 3778081.081 -216000.0 -0.22 -0.1246 -0.542 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O20 compound treatment 4077024.038 99000.0 0.11 4476647.619 482000.0 0.5 0.4305 0.8395 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O21 compound treatment 3926643.939 -51400.0 -0.06 4149991.87 156000.0 0.16 0.0751 0.4387 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O22 compound treatment 3480202.586 -498000.0 -0.54 3765120.69 -229000.0 -0.24 -0.5501 -0.9324 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O23 compound treatment 2882881.081 -1100000.0 -1.19 2578127.854 -1420000.0 -1.47 -1.8804 -0.9943 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 O24 compound treatment 2681255.319 -1300000.0 -1.41 2824117.188 -1170000.0 -1.22 -1.8542 -0.9974 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P01 compound treatment 2831811.715 -1150000.0 -1.24 3645193.237 -349000.0 -0.36 -1.1353 -0.8769 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P02 compound treatment 3010610.687 -967000.0 -1.05 3349975.0 -644000.0 -0.67 -1.2152 -0.9765 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P03 compound treatment 3424644.269 -553000.0 -0.6 4026265.306 32000.0 0.03 -0.4007 -0.6668 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P04 compound treatment 3424900.398 -553000.0 -0.6 4118854.545 125000.0 0.13 -0.3325 -0.5419 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P05 compound treatment 3082638.783 -895000.0 -0.97 4090114.833 95900.0 0.1 -0.616 -0.6312 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P06 compound treatment 3751284.264 -227000.0 -0.25 4201711.443 207000.0 0.22 -0.0213 -0.0652 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P07 compound treatment 2895880.184 -1080000.0 -1.17 3551071.77 -443000.0 -0.46 -1.1554 -0.9166 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P08 compound treatment 3323823.789 -654000.0 -0.71 2454067.742 -1540000.0 -1.6 -1.6335 -0.9329 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P09 compound treatment 2734695.455 -1240000.0 -1.35 3170511.521 -824000.0 -0.86 -1.5586 -0.976 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P10 compound treatment 3339166.667 -639000.0 -0.69 3307675.556 -687000.0 -0.71 -0.9944 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P11 mock treatment 3314112.84 -664000.0 -0.72 3353136.364 -641000.0 -0.67 -0.9802 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P12 mock treatment 3248174.312 -730000.0 -0.79 3611547.826 -383000.0 -0.4 -0.8408 -0.9494 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P13 compound treatment 3376447.826 -602000.0 -0.65 3291897.321 -702000.0 -0.73 -0.9774 -0.9984 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P14 compound treatment 3195281.124 -783000.0 -0.85 2933536.797 -1060000.0 -1.1 -1.3797 -0.9916 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P15 compound treatment 2952826.271 -1030000.0 -1.11 2230870.432 -1760000.0 -1.83 -2.082 -0.9713 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P16 compound treatment 2514598.485 -1460000.0 -1.59 2641900.709 -1350000.0 -1.41 -2.1159 -0.9982 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P17 compound treatment 2950367.965 -1030000.0 -1.11 3231365.957 -763000.0 -0.79 -1.3486 -0.9861 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P18 compound treatment 2813700.405 -1160000.0 -1.26 3744717.391 -250000.0 -0.26 -1.076 -0.8349 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P19 compound treatment 2795360.0 -1180000.0 -1.28 3078175.51 -916000.0 -0.95 -1.58 -0.9893 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P20 compound treatment 2995449.58 -983000.0 -1.07 2711717.647 -1280000.0 -1.33 -1.6959 -0.9938 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P21 compound treatment 3024844.595 -953000.0 -1.03 2955191.176 -1040000.0 -1.08 -1.4944 -0.9998 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P22 compound treatment 2931936.441 -1050000.0 -1.13 2656746.094 -1340000.0 -1.39 -1.785 -0.9949 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P23 compound treatment 1432048.78 -2550000.0 -2.76 1642000.0 -2350000.0 -2.44 -3.6808 -0.9982 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2097 P24 compound treatment 2341519.824 -1640000.0 -1.77 2622177.966 -1370000.0 -1.43 -2.2631 -0.9941 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A01 compound treatment 3644234.973 -312000.0 -0.34 3458075.0 -617000.0 -0.64 -0.6932 -0.9554 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A02 compound treatment 3749327.869 -207000.0 -0.22 3676127.451 -399000.0 -0.42 -0.4523 -0.9584 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A03 compound treatment 3358988.235 -597000.0 -0.65 3881107.317 -194000.0 -0.2 -0.6009 -0.8855 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A04 compound treatment 4220550.459 264000.0 0.29 3993117.647 -82300.0 -0.09 0.1419 0.475 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A05 compound treatment 4285465.969 329000.0 0.36 3975440.594 -100000.0 -0.1 0.1787 0.481 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A06 compound treatment 4243120.192 287000.0 0.31 3748376.623 -327000.0 -0.34 -0.0206 -0.0448 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A07 compound treatment 4113617.225 157000.0 0.17 4139760.638 64300.0 0.07 0.1677 0.9165 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A08 compound treatment 3617056.075 -339000.0 -0.37 3929983.957 -145000.0 -0.15 -0.3672 -0.9228 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A09 compound treatment 3578961.353 -378000.0 -0.41 3906032.11 -169000.0 -0.18 -0.414 -0.929 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A10 compound treatment 3367343.75 -589000.0 -0.64 3646432.432 -429000.0 -0.45 -0.767 -0.9846 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A11 compound treatment 1310448.98 -2650000.0 -2.87 1034062.5 -3040000.0 -3.16 -4.264 -0.9988 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A12 compound treatment 3477195.021 -479000.0 -0.52 3780538.462 -295000.0 -0.31 -0.5842 -0.9683 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A13 mock treatment 4119389.163 163000.0 0.18 4177445.026 102000.0 0.11 0.1999 0.9702 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A14 mock treatment 3869704.225 -86800.0 -0.09 3787171.296 -288000.0 -0.3 -0.2784 -0.8865 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A15 compound treatment 3274086.538 -682000.0 -0.74 3376881.579 -699000.0 -0.73 -1.0366 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A16 compound treatment 3858620.968 -97900.0 -0.11 3634512.195 -441000.0 -0.46 -0.3991 -0.8484 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A17 compound treatment 3300941.818 -656000.0 -0.71 3893032.922 -182000.0 -0.19 -0.6367 -0.8655 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A18 compound treatment 3863627.551 -92800.0 -0.1 3799079.295 -276000.0 -0.29 -0.2743 -0.9012 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A19 compound treatment 3306531.915 -650000.0 -0.7 3885080.645 -190000.0 -0.2 -0.6382 -0.8719 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A20 compound treatment 3137992.883 -818000.0 -0.89 3850186.047 -225000.0 -0.23 -0.7931 -0.8641 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A21 compound treatment 2784822.464 -1170000.0 -1.27 3049596.774 -1030000.0 -1.07 -1.6523 -0.9962 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A22 compound treatment 3293867.22 -663000.0 -0.72 3378754.167 -697000.0 -0.72 -1.0201 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A23 compound treatment 2601266.968 -1360000.0 -1.47 2483329.06 -1590000.0 -1.65 -2.2092 -0.9982 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 A24 compound treatment 3150320.0 -806000.0 -0.87 2352271.062 -1720000.0 -1.79 -1.8846 -0.9456 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B01 compound treatment 2869213.675 -1090000.0 -1.18 3413606.965 -662000.0 -0.69 -1.32 -0.9671 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B02 compound treatment 4725215.385 769000.0 0.83 4752836.735 677000.0 0.7 1.0872 0.9965 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B03 compound treatment 4063427.313 107000.0 0.12 4232900.524 157000.0 0.16 0.1977 0.9858 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B04 compound treatment 5529828.326 1570000.0 1.71 4761415.842 686000.0 0.71 1.7104 0.9251 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B05 compound treatment 5041773.585 1090000.0 1.18 4321693.333 246000.0 0.26 1.0131 0.8412 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B06 compound treatment 4822811.06 866000.0 0.94 3693228.448 -382000.0 -0.4 0.3833 0.3758 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B07 compound treatment 4029082.988 72600.0 0.08 4150641.86 75200.0 0.08 0.1109 1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B08 compound treatment 4142087.963 186000.0 0.2 4852122.222 777000.0 0.81 0.7131 0.8572 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B09 compound treatment 4927348.718 971000.0 1.05 4544082.192 469000.0 0.49 1.0888 0.9387 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B10 compound treatment 3749703.883 -207000.0 -0.22 4239239.796 164000.0 0.17 -0.0382 -0.1355 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B11 compound treatment 4822343.348 866000.0 0.94 5033861.538 958000.0 1.0 1.3683 0.9996 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B12 compound treatment 3827766.169 -129000.0 -0.14 3892800.948 -183000.0 -0.19 -0.2329 -0.9885 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B13 mock treatment 4217355.649 261000.0 0.28 4855088.235 780000.0 0.81 0.773 0.9006 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B14 mock treatment 4048094.787 91600.0 0.1 4474613.065 399000.0 0.41 0.3636 0.8523 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B15 compound treatment 3752362.319 -204000.0 -0.22 4635334.951 560000.0 0.58 0.255 0.4096 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B16 compound treatment 3933265.152 -23200.0 -0.03 4697027.523 622000.0 0.65 0.439 0.679 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B17 compound treatment 3568818.93 -388000.0 -0.42 4669619.792 594000.0 0.62 0.1395 0.1867 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B18 compound treatment 3567141.818 -389000.0 -0.42 4308919.048 233000.0 0.24 -0.1269 -0.2606 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B19 compound treatment 4709761.421 753000.0 0.82 4235631.313 160000.0 0.17 0.6953 0.8341 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B20 compound treatment 3579263.598 -377000.0 -0.41 4434075.63 359000.0 0.37 -0.0256 -0.0463 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B21 compound treatment 3587792.157 -369000.0 -0.4 3633135.135 -442000.0 -0.46 -0.6078 -0.9976 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B22 compound treatment 3734253.333 -222000.0 -0.24 4112979.381 37500.0 0.04 -0.1428 -0.585 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B23 compound treatment 3879548.387 -76900.0 -0.08 4422072.816 347000.0 0.36 0.1958 0.5294 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 B24 compound treatment 3822408.867 -134000.0 -0.15 3862884.211 -213000.0 -0.22 -0.259 -0.9794 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C01 compound treatment 3406861.224 -550000.0 -0.6 3439379.167 -636000.0 -0.66 -0.8889 -0.9987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C02 compound treatment 4047871.901 91400.0 0.1 4515595.556 440000.0 0.46 0.3936 0.8408 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C03 compound treatment 4382376.238 426000.0 0.46 3805000.0 -270000.0 -0.28 0.1278 0.2363 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C04 compound treatment 3896746.193 -59700.0 -0.06 3523767.773 -552000.0 -0.57 -0.4513 -0.782 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C05 compound treatment 3533225.641 -423000.0 -0.46 2897400.0 -1180000.0 -1.22 -1.1903 -0.9103 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C06 compound treatment 4133644.67 177000.0 0.19 3819564.103 -256000.0 -0.27 -0.0522 -0.1592 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C07 compound treatment 4542279.817 586000.0 0.64 4493044.335 418000.0 0.43 0.756 0.9828 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C08 compound treatment 3606681.592 -350000.0 -0.38 2560122.449 -1520000.0 -1.58 -1.3819 -0.853 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C09 compound treatment 3070348.039 -886000.0 -0.96 2994504.63 -1080000.0 -1.12 -1.4739 -0.997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C10 compound treatment 2891426.009 -1070000.0 -1.15 3007959.184 -1070000.0 -1.11 -1.6012 -0.9998 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C11 mock treatment 3897975.728 -58500.0 -0.06 4231882.682 156000.0 0.16 0.0701 0.4017 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C12 mock treatment 4075359.223 119000.0 0.13 4046089.947 -29400.0 -0.03 0.0696 0.5251 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C13 compound treatment 2974989.691 -981000.0 -1.06 3083537.234 -992000.0 -1.03 -1.4815 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C14 compound treatment 3544510.288 -412000.0 -0.45 3242693.277 -833000.0 -0.87 -0.9279 -0.9526 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C15 mock treatment 3970228.07 13800.0 0.01 4263097.561 188000.0 0.2 0.1485 0.7589 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C16 mock treatment 3611752.475 -345000.0 -0.37 3960285.714 -115000.0 -0.12 -0.3489 -0.8891 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C17 compound treatment 3284811.475 -672000.0 -0.73 3547045.455 -528000.0 -0.55 -0.9033 -0.9903 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C18 compound treatment 3801062.827 -155000.0 -0.17 4364936.416 289000.0 0.3 0.0936 0.2714 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C19 compound treatment 3476818.627 -480000.0 -0.52 3579167.513 -496000.0 -0.52 -0.7325 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C20 compound treatment 3344246.637 -612000.0 -0.66 3671396.04 -404000.0 -0.42 -0.7664 -0.9756 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C21 compound treatment 3000029.091 -956000.0 -1.04 3662109.524 -413000.0 -0.43 -1.0371 -0.9239 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C22 compound treatment 4291040.816 335000.0 0.36 3787683.616 -288000.0 -0.3 0.045 0.0957 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C23 compound treatment 3731236.715 -225000.0 -0.24 3674276.786 -401000.0 -0.42 -0.4676 -0.9675 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 C24 compound treatment 3104771.028 -852000.0 -0.92 3437538.462 -638000.0 -0.66 -1.1219 -0.9868 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D01 compound treatment 4003014.778 46500.0 0.05 2899016.064 -1180000.0 -1.22 -0.829 -0.6774 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D02 compound treatment 3257390.135 -699000.0 -0.76 4703700.535 628000.0 0.65 -0.0742 -0.0742 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D03 compound treatment 3897061.856 -59400.0 -0.06 4550654.822 475000.0 0.49 0.3037 0.6097 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D04 compound treatment 4214790.816 258000.0 0.28 4632763.158 557000.0 0.58 0.6077 0.9444 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D05 compound treatment 3672877.358 -284000.0 -0.31 3695292.793 -380000.0 -0.4 -0.4968 -0.9923 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D06 compound treatment 3219448.148 -737000.0 -0.8 4368260.87 293000.0 0.3 -0.3499 -0.4091 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D07 compound treatment 3732819.095 -224000.0 -0.24 3293620.37 -782000.0 -0.81 -0.7461 -0.8798 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D08 compound treatment 3359689.815 -597000.0 -0.65 4065403.509 -10100.0 -0.01 -0.4649 -0.7184 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D09 compound treatment 3994728.205 38300.0 0.04 4526450.495 451000.0 0.47 0.3608 0.7667 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D10 compound treatment 4175286.517 219000.0 0.24 3670150.628 -405000.0 -0.42 -0.1301 -0.2692 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D11 mock treatment 3879446.602 -77000.0 -0.08 3942133.333 -133000.0 -0.14 -0.1571 -0.9706 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D12 mock treatment 3810103.627 -146000.0 -0.16 3999376.884 -76100.0 -0.08 -0.1681 -0.9482 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D13 compound treatment 3612958.974 -344000.0 -0.37 3678426.036 -397000.0 -0.41 -0.5552 -0.9987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D14 compound treatment 3326454.128 -630000.0 -0.68 3534134.715 -541000.0 -0.56 -0.8809 -0.9954 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D15 mock treatment 3453025.862 -503000.0 -0.55 3791893.443 -284000.0 -0.29 -0.5944 -0.9582 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D16 mock treatment 3556115.88 -400000.0 -0.43 4129180.412 53700.0 0.06 -0.2675 -0.6111 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D17 compound treatment 3066862.595 -890000.0 -0.96 3829922.018 -246000.0 -0.26 -0.8625 -0.8645 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D18 compound treatment 3328081.522 -628000.0 -0.68 3865245.0 -210000.0 -0.22 -0.6363 -0.8893 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D19 compound treatment 3246205.357 -710000.0 -0.77 3255515.0 -820000.0 -0.85 -1.1472 -0.9987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D20 compound treatment 3163069.388 -793000.0 -0.86 3287123.932 -788000.0 -0.82 -1.1877 -0.9997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D21 compound treatment 3457401.709 -499000.0 -0.54 3875480.392 -200000.0 -0.21 -0.5296 -0.9136 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D22 compound treatment 3620836.806 -336000.0 -0.36 3699573.991 -376000.0 -0.39 -0.5336 -0.9994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D23 compound treatment 3249714.286 -707000.0 -0.77 2864878.788 -1210000.0 -1.26 -1.4316 -0.9717 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 D24 compound treatment 3183549.505 -773000.0 -0.84 3582005.155 -493000.0 -0.51 -0.9553 -0.9722 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E01 mock treatment 4022665.072 66200.0 0.07 4195241.026 120000.0 0.12 0.1388 0.9657 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E02 mock treatment 4171443.878 215000.0 0.23 4696972.603 622000.0 0.65 0.6216 0.9051 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E03 compound treatment 4117507.772 161000.0 0.17 4670312.5 595000.0 0.62 0.5607 0.8727 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E04 compound treatment 4382653.061 426000.0 0.46 4203487.685 128000.0 0.13 0.4208 0.8752 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E05 compound treatment 3665907.95 -291000.0 -0.32 4545288.043 470000.0 0.49 0.1225 0.2108 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E06 compound treatment 2606078.591 -1350000.0 -1.46 3799514.523 -276000.0 -0.29 -1.2382 -0.8299 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E07 compound treatment 4306164.609 350000.0 0.38 4280284.444 205000.0 0.21 0.4186 0.9628 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E08 compound treatment 3124899.254 -832000.0 -0.9 3434720.0 -641000.0 -0.67 -1.1085 -0.9889 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E09 mock treatment 4566589.372 610000.0 0.66 4605819.005 530000.0 0.55 0.8576 0.9959 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E10 mock treatment 4523419.512 567000.0 0.61 4415785.0 340000.0 0.35 0.6848 0.9656 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E11 compound treatment 4292273.632 336000.0 0.36 3523893.939 -552000.0 -0.57 -0.1479 -0.2178 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E12 compound treatment 3361008.403 -595000.0 -0.65 4487155.914 412000.0 0.43 -0.154 -0.1988 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E13 compound treatment 3297681.818 -659000.0 -0.71 3140361.502 -935000.0 -0.97 -1.1924 -0.9885 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E14 compound treatment 3568363.985 -388000.0 -0.42 4413385.027 338000.0 0.35 -0.0492 -0.0898 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E15 compound treatment 2843460.227 -1110000.0 -1.21 3388126.829 -687000.0 -0.71 -1.3585 -0.9687 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E16 compound treatment 4404172.996 448000.0 0.49 3432173.913 -643000.0 -0.67 -0.1296 -0.1568 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E17 mock treatment 4141077.253 185000.0 0.2 4302855.615 227000.0 0.24 0.3087 0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E18 mock treatment 4325880.383 369000.0 0.4 4498279.188 423000.0 0.44 0.594 0.9989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E19 compound treatment 3096520.93 -860000.0 -0.93 4176918.367 101000.0 0.11 -0.5848 -0.6232 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E20 compound treatment 4292595.96 336000.0 0.36 4367989.305 293000.0 0.3 0.4727 0.9959 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E21 compound treatment 2985700.758 -971000.0 -1.05 3205004.367 -870000.0 -0.9 -1.3841 -0.9972 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E22 compound treatment 3715072.034 -241000.0 -0.26 3192160.535 -883000.0 -0.92 -0.8343 -0.8739 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E23 compound treatment 3593604.651 -363000.0 -0.39 3978596.774 -96900.0 -0.1 -0.3494 -0.8603 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 E24 compound treatment 3663551.111 -293000.0 -0.32 3621636.792 -454000.0 -0.47 -0.5581 -0.9815 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F01 mock treatment 3974721.393 18200.0 0.02 4585407.96 510000.0 0.53 0.3888 0.733 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F02 mock treatment 4448551.02 492000.0 0.53 5237413.265 1160000.0 1.21 1.2313 0.9325 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F03 compound treatment 3545452.282 -411000.0 -0.45 4569580.0 494000.0 0.51 0.048 0.0706 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F04 compound treatment 3722438.053 -234000.0 -0.25 4190285.714 115000.0 0.12 -0.095 -0.3389 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F05 compound treatment 3233367.769 -723000.0 -0.78 3529811.245 -546000.0 -0.57 -0.9554 -0.9874 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F06 compound treatment 4040039.024 83600.0 0.09 4298229.73 223000.0 0.23 0.2278 0.9162 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F07 compound treatment 3847040.201 -109000.0 -0.12 4248890.83 173000.0 0.18 0.0436 0.2019 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F08 compound treatment 3639612.335 -317000.0 -0.34 3507219.298 -568000.0 -0.59 -0.6606 -0.9668 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F09 mock treatment 4035106.195 78600.0 0.09 4842182.692 767000.0 0.8 0.6238 0.7783 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F10 mock treatment 4510365.741 554000.0 0.6 4874492.228 799000.0 0.83 1.0119 0.9873 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F11 compound treatment 2930816.054 -1030000.0 -1.11 4255975.962 181000.0 0.19 -0.6537 -0.5796 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F12 compound treatment 3174984.293 -781000.0 -0.85 4337784.211 262000.0 0.27 -0.4064 -0.4565 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F13 compound treatment 3679529.167 -277000.0 -0.3 4451600.0 376000.0 0.39 0.0641 0.1301 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F14 compound treatment 3360396.825 -596000.0 -0.65 3745145.631 -330000.0 -0.34 -0.6998 -0.9562 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F15 compound treatment 3211830.189 -745000.0 -0.81 3927018.433 -148000.0 -0.15 -0.68 -0.8273 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F16 compound treatment 1050972.222 -2910000.0 -3.15 1479210.526 -2600000.0 -2.7 -4.1358 -0.997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F17 mock treatment 3885652.174 -70800.0 -0.08 4002719.828 -72700.0 -0.08 -0.1078 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F18 mock treatment 3984133.621 27700.0 0.03 3895604.982 -180000.0 -0.19 -0.111 -0.5862 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F19 compound treatment 3238273.504 -718000.0 -0.78 3258598.456 -817000.0 -0.85 -1.151 -0.9991 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F20 compound treatment 3919412.017 -37100.0 -0.04 4163611.607 88200.0 0.09 0.0364 0.3635 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F21 compound treatment 3534637.066 -422000.0 -0.46 3972760.0 -103000.0 -0.11 -0.3989 -0.8493 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F22 compound treatment 3426510.46 -530000.0 -0.57 2922854.478 -1150000.0 -1.2 -1.2535 -0.9434 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F23 compound treatment 4059723.005 103000.0 0.11 4047453.125 -28000.0 -0.03 0.0586 0.5064 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 F24 compound treatment 2912752.294 -1040000.0 -1.13 3352214.634 -723000.0 -0.75 -1.3318 -0.9803 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G01 compound treatment 3334277.228 -622000.0 -0.67 2466921.182 -1610000.0 -1.67 -1.6593 -0.9203 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G02 compound treatment 4354392.344 398000.0 0.43 4457589.109 382000.0 0.4 0.5859 0.9991 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G03 mock treatment 4101149.321 145000.0 0.16 4547900.498 472000.0 0.49 0.4582 0.8887 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G04 mock treatment 4642258.537 686000.0 0.74 4473700.98 398000.0 0.41 0.8185 0.9618 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G05 compound treatment 4294357.798 338000.0 0.37 4397636.364 322000.0 0.33 0.4958 0.999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G06 compound treatment 4115247.664 159000.0 0.17 4484387.387 409000.0 0.43 0.4223 0.9208 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G07 compound treatment 2500806.452 -1460000.0 -1.58 3204429.487 -871000.0 -0.91 -1.7562 -0.9652 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G08 compound treatment 3621395.437 -335000.0 -0.36 4482445.026 407000.0 0.42 0.0422 0.0757 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G09 compound treatment 3838643.154 -118000.0 -0.13 4253636.364 178000.0 0.19 0.0406 0.1805 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G10 compound treatment 4005596.491 49100.0 0.05 4346049.18 271000.0 0.28 0.2365 0.8263 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G11 compound treatment 3779231.818 -177000.0 -0.19 4037975.49 -37500.0 -0.04 -0.1634 -0.8335 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G12 compound treatment 3972580.645 16100.0 0.02 4146827.027 71400.0 0.07 0.0648 0.8503 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G13 compound treatment 3495786.047 -461000.0 -0.5 4333422.535 258000.0 0.27 -0.1636 -0.2886 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G14 compound treatment 3528191.837 -428000.0 -0.46 4200286.408 125000.0 0.13 -0.2366 -0.4907 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G15 compound treatment 3966809.524 10300.0 0.01 4305479.07 230000.0 0.24 0.177 0.7394 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G16 compound treatment 3782956.731 -174000.0 -0.19 4214483.871 139000.0 0.14 -0.0309 -0.1301 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G17 compound treatment 3853663.717 -103000.0 -0.11 4301690.355 226000.0 0.24 0.0874 0.336 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G18 compound treatment 4213167.442 257000.0 0.28 4189000.0 114000.0 0.12 0.2803 0.927 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G19 mock treatment 3855003.69 -101000.0 -0.11 4202833.333 127000.0 0.13 0.0158 0.0919 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G20 mock treatment 3992703.297 36200.0 0.04 4702042.654 627000.0 0.65 0.4883 0.7484 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G21 compound treatment 5110596.685 1150000.0 1.25 4753103.093 678000.0 0.7 1.3829 0.963 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G22 compound treatment 4224246.753 268000.0 0.29 4710732.673 635000.0 0.66 0.6722 0.9319 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G23 compound treatment 3686023.041 -270000.0 -0.29 4119771.084 44300.0 0.05 -0.1748 -0.5888 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 G24 compound treatment 3597962.085 -359000.0 -0.39 4564580.11 489000.0 0.51 0.0846 0.1322 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H01 compound treatment 4139183.673 183000.0 0.2 3942414.201 -133000.0 -0.14 0.0423 0.1751 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H02 compound treatment 3182519.231 -774000.0 -0.84 4820589.744 745000.0 0.77 -0.0457 -0.04 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H03 mock treatment 4835900.0 879000.0 0.95 5609883.249 1530000.0 1.59 1.802 0.9698 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H04 mock treatment 5093777.778 1140000.0 1.23 5742438.503 1670000.0 1.73 2.0971 0.9861 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H05 compound treatment 5169542.105 1210000.0 1.32 4969507.177 894000.0 0.93 1.5871 0.9855 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H06 compound treatment 3636637.097 -320000.0 -0.35 3890183.333 -185000.0 -0.19 -0.3814 -0.9615 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H07 compound treatment 4161245.69 205000.0 0.22 4367888.889 292000.0 0.3 0.3719 0.9881 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H08 compound treatment 4473933.921 517000.0 0.56 4824809.091 749000.0 0.78 0.9475 0.987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H09 compound treatment 3731472.103 -225000.0 -0.24 4592470.588 517000.0 0.54 0.2075 0.3516 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H10 compound treatment 3854995.816 -101000.0 -0.11 3302302.419 -773000.0 -0.8 -0.6461 -0.7965 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H11 compound treatment 4259585.366 303000.0 0.33 4561801.932 486000.0 0.51 0.5898 0.9783 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H12 compound treatment 3339362.869 -617000.0 -0.67 4234979.058 160000.0 0.17 -0.3559 -0.5163 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H13 compound treatment 3338714.894 -618000.0 -0.67 4440994.975 366000.0 0.38 -0.205 -0.2662 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H14 compound treatment 3190993.884 -765000.0 -0.83 4292607.306 217000.0 0.23 -0.4273 -0.4968 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H15 compound treatment 4035206.14 78700.0 0.09 4409090.476 334000.0 0.35 0.3056 0.8556 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H16 compound treatment 3646466.063 -310000.0 -0.34 3823757.848 -252000.0 -0.26 -0.4227 -0.9923 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H17 compound treatment 3737843.478 -219000.0 -0.24 4626556.522 551000.0 0.57 0.2374 0.383 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H18 compound treatment 3249543.478 -707000.0 -0.77 4146072.115 70600.0 0.07 -0.4901 -0.6365 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H19 mock treatment 3758341.27 -198000.0 -0.21 4014401.709 -61100.0 -0.06 -0.1968 -0.8785 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H20 mock treatment 3990691.729 34200.0 0.04 3981797.665 -93700.0 -0.1 -0.0426 -0.409 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H21 compound treatment 5108917.874 1150000.0 1.25 4261755.459 186000.0 0.19 1.0205 0.8071 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H22 compound treatment 3477776.471 -479000.0 -0.52 4112878.151 37400.0 0.04 -0.3395 -0.6523 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H23 compound treatment 4243299.145 287000.0 0.31 4781040.541 706000.0 0.73 0.7385 0.927 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 H24 compound treatment 3415025.751 -541000.0 -0.59 3832166.667 -243000.0 -0.25 -0.5939 -0.9292 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I01 compound treatment 3439123.656 -517000.0 -0.56 2980591.954 -1090000.0 -1.14 -1.2014 -0.9469 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I02 compound treatment 4707509.615 751000.0 0.81 4265639.81 190000.0 0.2 0.7156 0.854 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I03 compound treatment 987153.8462 -2970000.0 -3.22 1255807.692 -2820000.0 -2.93 -4.3489 -0.9989 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I04 compound treatment 3383056.738 -573000.0 -0.62 4159176.991 83700.0 0.09 -0.3781 -0.6023 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I05 mock treatment 4168040.541 212000.0 0.23 4294256.637 219000.0 0.23 0.323 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I06 mock treatment 4081547.511 125000.0 0.14 4371283.019 296000.0 0.31 0.3133 0.9323 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I07 compound treatment 4162532.52 206000.0 0.22 4271281.25 196000.0 0.2 0.3019 0.9989 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I08 compound treatment 3860046.948 -96400.0 -0.1 3694807.692 -381000.0 -0.4 -0.3537 -0.8643 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I09 compound treatment 3144615.385 -812000.0 -0.88 3840133.005 -235000.0 -0.24 -0.7954 -0.8706 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I10 compound treatment 2672980.132 -1280000.0 -1.39 3596910.798 -479000.0 -0.5 -1.3358 -0.9038 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I11 compound treatment 3190004.425 -766000.0 -0.83 3317525.581 -758000.0 -0.79 -1.1447 -0.9996 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I12 compound treatment 3532449.761 -424000.0 -0.46 3717030.457 -358000.0 -0.37 -0.5885 -0.9946 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I13 compound treatment 4097500.0 141000.0 0.15 3939940.909 -136000.0 -0.14 0.0085 0.041 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I14 compound treatment 3225148.594 -731000.0 -0.79 4194105.263 119000.0 0.12 -0.4735 -0.59 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I15 compound treatment 3946597.222 -9880.0 -0.01 3676358.974 -399000.0 -0.41 -0.3009 -0.7251 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I16 compound treatment 3632756.972 -324000.0 -0.35 3597831.224 -478000.0 -0.5 -0.5992 -0.9856 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I17 compound treatment 3609110.236 -347000.0 -0.38 3719916.3 -356000.0 -0.37 -0.5276 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I18 compound treatment 4419277.512 463000.0 0.5 3984854.626 -90600.0 -0.09 0.2882 0.5645 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I19 compound treatment 3711481.928 -245000.0 -0.27 3579842.553 -496000.0 -0.52 -0.5521 -0.9525 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I20 compound treatment 4974947.368 1020000.0 1.1 3588435.714 -487000.0 -0.51 0.4229 0.3481 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I21 mock treatment 3889673.82 -66800.0 -0.07 4003599.057 -71900.0 -0.07 -0.104 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I22 mock treatment 3511970.26 -445000.0 -0.48 4087402.655 11900.0 0.01 -0.332 -0.6887 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I23 compound treatment 2850736.17 -1110000.0 -1.2 3047481.818 -1030000.0 -1.07 -1.6033 -0.9983 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 I24 compound treatment 2758466.135 -1200000.0 -1.3 3531050.251 -544000.0 -0.57 -1.3186 -0.9307 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J01 compound treatment 3954726.257 -1750.0 0.0 3958347.305 -117000.0 -0.12 -0.0874 -0.718 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J02 compound treatment 3763592.593 -193000.0 -0.21 4207519.802 132000.0 0.14 -0.0508 -0.2032 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J03 compound treatment 3680714.286 -276000.0 -0.3 4603364.103 528000.0 0.55 0.1766 0.2826 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J04 compound treatment 3825892.857 -131000.0 -0.14 4240892.157 165000.0 0.17 0.0215 0.0964 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J05 mock treatment 4629459.574 673000.0 0.73 4886850.962 811000.0 0.84 1.1123 0.9974 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J06 mock treatment 4592318.182 636000.0 0.69 5099177.033 1020000.0 1.06 1.2399 0.9779 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J07 compound treatment 3581837.5 -375000.0 -0.41 4296046.729 221000.0 0.23 -0.1251 -0.2682 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J08 compound treatment 3665132.353 -291000.0 -0.32 3164476.19 -911000.0 -0.95 -0.8929 -0.8945 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J09 compound treatment 3715415.888 -241000.0 -0.26 4332606.987 257000.0 0.27 0.0042 0.0112 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J10 compound treatment 3611513.393 -345000.0 -0.37 4132561.404 57100.0 0.06 -0.2225 -0.5876 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J11 compound treatment 3916745.833 -39700.0 -0.04 4216013.393 141000.0 0.15 0.0728 0.4782 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J12 compound treatment 948796.875 -3010000.0 -3.26 1096183.333 -2980000.0 -3.1 -4.4957 -0.9997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J13 compound treatment 3950851.852 -5630.0 -0.01 3922030.973 -153000.0 -0.16 -0.1171 -0.7336 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J14 compound treatment 3249171.429 -707000.0 -0.77 3251641.791 -824000.0 -0.86 -1.1478 -0.9985 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J15 compound treatment 3366794.393 -590000.0 -0.64 2981953.947 -1090000.0 -1.14 -1.2558 -0.963 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J16 compound treatment 3431641.35 -525000.0 -0.57 3759375.566 -316000.0 -0.33 -0.6347 -0.9659 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J17 compound treatment 3439940.426 -517000.0 -0.56 3664581.818 -411000.0 -0.43 -0.698 -0.991 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J18 compound treatment 3201500.0 -755000.0 -0.82 3097560.538 -978000.0 -1.02 -1.2976 -0.9942 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J19 compound treatment 3877977.578 -78500.0 -0.09 3761154.472 -314000.0 -0.33 -0.2912 -0.8625 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J20 compound treatment 3035516.949 -921000.0 -1.0 3800748.899 -275000.0 -0.29 -0.908 -0.8743 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J21 mock treatment 3307791.822 -649000.0 -0.7 3446372.263 -629000.0 -0.65 -0.9597 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J22 mock treatment 3147626.623 -809000.0 -0.88 3381767.717 -694000.0 -0.72 -1.13 -0.9953 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J23 compound treatment 3627369.668 -329000.0 -0.36 3612369.231 -463000.0 -0.48 -0.5927 -0.9891 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 J24 compound treatment 2993389.381 -963000.0 -1.04 3460770.0 -615000.0 -0.64 -1.1902 -0.9722 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K01 compound treatment 2770440.0 -1190000.0 -1.29 3281486.911 -794000.0 -0.83 -1.4929 -0.977 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K02 compound treatment 4482379.845 526000.0 0.57 4042154.167 -33300.0 -0.03 0.3787 0.663 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K03 compound treatment 4820850.877 864000.0 0.94 4716148.148 641000.0 0.67 1.1336 0.986 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K04 compound treatment 4978446.512 1020000.0 1.11 4468909.091 393000.0 0.41 1.0727 0.9082 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K05 compound treatment 3600107.28 -356000.0 -0.39 3559448.0 -516000.0 -0.54 -0.6525 -0.9871 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K06 compound treatment 3789736.626 -167000.0 -0.18 4787000.0 712000.0 0.74 0.3951 0.519 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K07 mock treatment 4278174.797 322000.0 0.35 4233856.574 158000.0 0.16 0.3631 0.9413 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K08 mock treatment 3727053.846 -229000.0 -0.25 3961214.035 -114000.0 -0.12 -0.2599 -0.9427 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K09 compound treatment 3561058.824 -395000.0 -0.43 3947889.328 -128000.0 -0.13 -0.3969 -0.8845 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K10 compound treatment 4285649.038 329000.0 0.36 4419169.811 344000.0 0.36 0.505 1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K11 compound treatment 2871689.498 -1080000.0 -1.18 2785391.304 -1290000.0 -1.34 -1.7799 -0.9979 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K12 compound treatment 3472188.235 -484000.0 -0.53 3673627.803 -402000.0 -0.42 -0.6666 -0.9936 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K13 compound treatment 1381509.804 -2570000.0 -2.79 1437780.0 -2640000.0 -2.74 -3.9128 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K14 compound treatment 2937138.686 -1020000.0 -1.11 3661058.594 -414000.0 -0.43 -1.0861 -0.9156 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K15 mock treatment 4009115.702 52600.0 0.06 3613235.88 -462000.0 -0.48 -0.2994 -0.6188 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K16 mock treatment 4028205.387 71700.0 0.08 3860142.857 -215000.0 -0.22 -0.1033 -0.4358 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K17 compound treatment 3455987.552 -500000.0 -0.54 3296433.213 -779000.0 -0.81 -0.9563 -0.9811 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K18 compound treatment 4123442.105 167000.0 0.18 4429582.474 354000.0 0.37 0.3883 0.9466 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K19 compound treatment 3805147.679 -151000.0 -0.16 4703975.728 629000.0 0.65 0.3459 0.5136 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K20 compound treatment 4680522.388 724000.0 0.79 4075788.288 328.0 0.0 0.5554 0.7074 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K21 compound treatment 4098240.458 142000.0 0.15 3877250.0 -198000.0 -0.21 -0.037 -0.1439 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K22 compound treatment 4799216.346 843000.0 0.91 3633589.655 -442000.0 -0.46 0.3214 0.3142 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K23 mock treatment 3780678.571 -176000.0 -0.19 4093427.481 18000.0 0.02 -0.1216 -0.6348 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 K24 mock treatment 3437562.016 -519000.0 -0.56 3412357.43 -663000.0 -0.69 -0.8852 -0.9949 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L01 compound treatment 3907126.05 -49400.0 -0.05 3479723.214 -596000.0 -0.62 -0.4757 -0.7654 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L02 compound treatment 4969421.941 1010000.0 1.1 5385383.333 1310000.0 1.36 1.7394 0.9943 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L03 compound treatment 5496169.725 1540000.0 1.67 5794125.523 1720000.0 1.79 2.4436 0.9994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L04 compound treatment 5201656.863 1250000.0 1.35 4885704.225 810000.0 0.84 1.5502 0.9742 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L05 compound treatment 4692822.511 736000.0 0.8 4777986.364 703000.0 0.73 1.0809 0.999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L06 compound treatment 4240296.443 284000.0 0.31 4966338.235 891000.0 0.93 0.8724 0.894 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L07 mock treatment 4899069.307 943000.0 1.02 4917453.39 842000.0 0.88 1.3415 0.997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L08 mock treatment 4726168.269 770000.0 0.83 4182816.609 107000.0 0.11 0.669 0.7946 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L09 compound treatment 4176763.158 220000.0 0.24 4468099.057 393000.0 0.41 0.4575 0.9674 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L10 compound treatment 3779616.438 -177000.0 -0.19 4264483.092 189000.0 0.2 0.0033 0.0121 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L11 compound treatment 3672816.794 -284000.0 -0.31 4369009.009 294000.0 0.31 -0.0017 -0.004 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L12 compound treatment 3809706.667 -147000.0 -0.16 3902367.089 -173000.0 -0.18 -0.2397 -0.9981 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L13 compound treatment 4371772.512 415000.0 0.45 4386676.471 311000.0 0.32 0.5471 0.9868 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L14 compound treatment 4309123.894 353000.0 0.38 3774782.609 -301000.0 -0.31 0.0494 0.1 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L15 mock treatment 3995834.559 39400.0 0.04 4253926.829 178000.0 0.19 0.1613 0.8476 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L16 mock treatment 4034271.375 77800.0 0.08 4069262.931 -6200.0 -0.01 0.0551 0.6512 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L17 compound treatment 4163023.166 207000.0 0.22 4050235.294 -25200.0 -0.03 0.1398 0.6201 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L18 compound treatment 3797515.625 -159000.0 -0.17 3678560.284 -397000.0 -0.41 -0.4136 -0.925 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L19 compound treatment 4309148.594 353000.0 0.38 4852457.547 777000.0 0.81 0.8415 0.9417 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L20 compound treatment 3934062.5 -22400.0 -0.02 3834560.656 -241000.0 -0.25 -0.1942 -0.7721 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L21 compound treatment 4031147.826 74700.0 0.08 4055282.258 -20200.0 -0.02 0.0424 0.5072 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L22 compound treatment 3491167.785 -465000.0 -0.5 3415152.866 -660000.0 -0.69 -0.8421 -0.9885 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L23 mock treatment 3955813.869 -663.0 0.0 3717708.475 -358000.0 -0.37 -0.2634 -0.7085 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 L24 mock treatment 3546185.567 -410000.0 -0.44 3540754.864 -535000.0 -0.56 -0.7076 -0.9939 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M01 compound treatment 3046805.687 -910000.0 -0.99 3170965.686 -904000.0 -0.94 -1.3622 -0.9997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M02 compound treatment 3754557.692 -202000.0 -0.22 3707511.848 -368000.0 -0.38 -0.4252 -0.965 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M03 compound treatment 4062878.505 106000.0 0.12 3567657.895 -508000.0 -0.53 -0.2916 -0.5398 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M04 compound treatment 3858344.498 -98100.0 -0.11 3683235.294 -392000.0 -0.41 -0.3635 -0.8628 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M05 compound treatment 3776298.319 -180000.0 -0.2 3452000.0 -623000.0 -0.65 -0.5964 -0.8811 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M06 compound treatment 4032578.723 76100.0 0.08 4206031.963 131000.0 0.14 0.1543 0.9715 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M07 compound treatment 3414230.189 -542000.0 -0.59 3388699.248 -687000.0 -0.71 -0.9205 -0.9954 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M08 compound treatment 4201743.842 245000.0 0.27 3998616.438 -76800.0 -0.08 0.1316 0.4738 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M09 mock treatment 3285802.521 -671000.0 -0.73 3236677.966 -839000.0 -0.87 -1.1307 -0.9959 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M10 mock treatment 3111494.845 -845000.0 -0.92 3109038.76 -966000.0 -1.0 -1.3581 -0.9989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M11 compound treatment 3723656.716 -233000.0 -0.25 3027160.976 -1050000.0 -1.09 -0.949 -0.8485 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M12 compound treatment 3638666.667 -318000.0 -0.34 3347058.252 -728000.0 -0.76 -0.779 -0.9365 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M13 mock treatment 3083140.187 -873000.0 -0.95 3258322.314 -817000.0 -0.85 -1.2702 -0.9985 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M14 mock treatment 3264685.039 -692000.0 -0.75 3158792.982 -917000.0 -0.95 -1.2041 -0.993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M15 compound treatment 3947526.829 -8950.0 -0.01 2797061.688 -1280000.0 -1.33 -0.9465 -0.7123 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M16 compound treatment 3687736.22 -269000.0 -0.29 4425386.598 350000.0 0.36 0.0511 0.1097 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M17 compound treatment 3201339.13 -755000.0 -0.82 3893253.012 -182000.0 -0.19 -0.7129 -0.8483 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M18 compound treatment 3483808.0 -473000.0 -0.51 3398551.181 -677000.0 -0.7 -0.8599 -0.9879 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M19 compound treatment 3600933.798 -356000.0 -0.39 4700202.703 625000.0 0.65 0.1866 0.2471 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M20 compound treatment 4109103.896 153000.0 0.17 4064359.504 -11100.0 -0.01 0.1089 0.6562 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M21 compound treatment 3292064.626 -664000.0 -0.72 3120531.835 -955000.0 -0.99 -1.2112 -0.9876 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M22 compound treatment 3143971.429 -813000.0 -0.88 3789174.672 -286000.0 -0.3 -0.8334 -0.8962 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M23 compound treatment 3183669.903 -773000.0 -0.84 3446153.285 -629000.0 -0.65 -1.055 -0.9925 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 M24 compound treatment 2699331.776 -1260000.0 -1.36 2629026.432 -1450000.0 -1.5 -2.0269 -0.9988 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N01 compound treatment 3122979.508 -833000.0 -0.9 3527852.535 -548000.0 -0.57 -1.0415 -0.9752 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N02 compound treatment 4047771.552 91300.0 0.1 4730461.905 655000.0 0.68 0.5514 0.8015 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N03 compound treatment 4794560.748 838000.0 0.91 4906977.273 832000.0 0.86 1.2537 0.9997 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N04 compound treatment 3854155.844 -102000.0 -0.11 3636279.07 -439000.0 -0.46 -0.4012 -0.8541 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N05 compound treatment 4602391.304 646000.0 0.7 4604665.158 529000.0 0.55 0.8842 0.9929 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N06 compound treatment 3810372.642 -146000.0 -0.16 3889751.269 -186000.0 -0.19 -0.2485 -0.9952 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N07 compound treatment 4000852.041 44400.0 0.05 3641602.679 -434000.0 -0.45 -0.2849 -0.6281 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N08 compound treatment 3679218.884 -277000.0 -0.3 3386128.889 -689000.0 -0.72 -0.7192 -0.9256 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N09 mock treatment 4052603.774 96100.0 0.1 3591386.861 -484000.0 -0.5 -0.2821 -0.549 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N10 mock treatment 3550793.103 -406000.0 -0.44 3813700.0 -262000.0 -0.27 -0.5034 -0.9733 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N11 compound treatment 4099405.797 143000.0 0.15 3943591.549 -132000.0 -0.14 0.0127 0.0612 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N12 compound treatment 2931908.714 -1020000.0 -1.11 3146133.333 -929000.0 -0.97 -1.4686 -0.9976 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N13 mock treatment 3559294.118 -397000.0 -0.43 3707502.304 -368000.0 -0.38 -0.575 -0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N14 mock treatment 3641553.571 -315000.0 -0.34 3134204.013 -941000.0 -0.98 -0.9333 -0.9006 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N15 compound treatment 3650966.667 -306000.0 -0.33 3690876.19 -385000.0 -0.4 -0.5169 -0.9956 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N16 compound treatment 3303086.957 -653000.0 -0.71 2974419.476 -1100000.0 -1.14 -1.3102 -0.9734 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N17 compound treatment 3444939.13 -512000.0 -0.55 3517522.901 -558000.0 -0.58 -0.8023 -0.9998 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N18 compound treatment 3018408.867 -938000.0 -1.02 3161979.592 -913000.0 -0.95 -1.3906 -0.9994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N19 compound treatment 3412075.862 -544000.0 -0.59 3195338.078 -880000.0 -0.91 -1.0643 -0.9775 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N20 compound treatment 2867677.419 -1090000.0 -1.18 2911724.409 -1160000.0 -1.21 -1.6901 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N21 compound treatment 3526787.77 -430000.0 -0.47 3162640.152 -913000.0 -0.95 -1.0003 -0.9464 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N22 compound treatment 2537569.024 -1420000.0 -1.54 2887368.889 -1190000.0 -1.23 -1.9611 -0.9941 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N23 compound treatment 3530910.853 -426000.0 -0.46 2869229.927 -1210000.0 -1.25 -1.2128 -0.9078 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 N24 compound treatment 1587121.951 -2370000.0 -2.57 1521875.0 -2550000.0 -2.65 -3.6934 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O01 compound treatment 3267572.0 -689000.0 -0.75 3452728.972 -623000.0 -0.65 -0.9859 -0.9975 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O02 compound treatment 3103226.244 -853000.0 -0.93 3318337.778 -757000.0 -0.79 -1.2106 -0.9968 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O03 compound treatment 3668481.343 -288000.0 -0.31 3834796.61 -241000.0 -0.25 -0.3977 -0.994 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O04 compound treatment 3910445.415 -46000.0 -0.05 3181602.459 -894000.0 -0.93 -0.6923 -0.744 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O05 compound treatment 4535964.912 579000.0 0.63 3196642.173 -879000.0 -0.91 -0.2016 -0.1819 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O06 compound treatment 3230684.028 -726000.0 -0.79 4270351.485 195000.0 0.2 -0.4132 -0.5085 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O07 compound treatment 4597666.667 641000.0 0.7 4457063.107 382000.0 0.4 0.7721 0.9646 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O08 compound treatment 4688759.162 732000.0 0.79 3524231.481 -551000.0 -0.57 0.1563 0.1596 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O09 compound treatment 4107801.802 151000.0 0.16 4579764.103 504000.0 0.52 0.4867 0.886 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O10 compound treatment 3178510.417 -778000.0 -0.84 2880857.639 -1190000.0 -1.24 -1.4745 -0.9823 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O11 mock treatment 3963088.889 6610.0 0.01 3852983.936 -222000.0 -0.23 -0.1584 -0.6849 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O12 mock treatment 3669859.031 -287000.0 -0.31 4000241.706 -75200.0 -0.08 -0.275 -0.8583 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O13 compound treatment 3792394.737 -164000.0 -0.18 3499107.438 -576000.0 -0.6 -0.5494 -0.8792 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O14 compound treatment 3895895.683 -60600.0 -0.07 4054162.393 -21300.0 -0.02 -0.0621 -0.8959 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O15 compound treatment 3658845.133 -298000.0 -0.32 3403766.423 -672000.0 -0.7 -0.7219 -0.9385 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O16 compound treatment 4825068.421 869000.0 0.94 3641601.594 -434000.0 -0.45 0.3471 0.3324 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O17 compound treatment 4460629.108 504000.0 0.55 4193504.762 118000.0 0.12 0.4733 0.8448 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O18 compound treatment 3487795.367 -469000.0 -0.51 3499045.455 -576000.0 -0.6 -0.783 -0.9966 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O19 compound treatment 4167220.096 211000.0 0.23 3515440.816 -560000.0 -0.58 -0.25 -0.3998 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O20 compound treatment 3725978.799 -230000.0 -0.25 3720579.137 -355000.0 -0.37 -0.4376 -0.982 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O21 compound treatment 3931165.138 -25300.0 -0.03 3941846.154 -134000.0 -0.14 -0.1176 -0.8308 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O22 compound treatment 3221155.844 -735000.0 -0.8 3709534.884 -366000.0 -0.38 -0.8327 -0.9427 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O23 compound treatment 3110541.353 -846000.0 -0.92 3387040.146 -688000.0 -0.72 -1.1545 -0.9925 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 O24 compound treatment 3211662.393 -745000.0 -0.81 2748370.968 -1330000.0 -1.38 -1.5464 -0.9675 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P01 compound treatment 2857718.254 -1100000.0 -1.19 3618318.627 -457000.0 -0.48 -1.1784 -0.9188 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P02 compound treatment 1781533.333 -2170000.0 -2.36 1594143.791 -2480000.0 -2.58 -3.4912 -0.999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P03 compound treatment 3613038.298 -343000.0 -0.37 3769684.685 -306000.0 -0.32 -0.488 -0.9969 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P04 compound treatment 3312478.673 -644000.0 -0.7 3304355.14 -771000.0 -0.8 -1.0605 -0.9976 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P05 compound treatment 3649874.396 -307000.0 -0.33 3579846.491 -496000.0 -0.52 -0.5993 -0.9775 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P06 compound treatment 3338927.835 -618000.0 -0.67 3192975.0 -882000.0 -0.92 -1.1221 -0.988 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P07 compound treatment 2726294.479 -1230000.0 -1.33 4119607.306 44100.0 0.05 -0.9107 -0.6824 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P08 compound treatment 2833666.667 -1120000.0 -1.22 2773449.761 -1300000.0 -1.35 -1.8178 -0.9986 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P09 compound treatment 3405557.789 -551000.0 -0.6 3522401.747 -553000.0 -0.57 -0.8289 -0.9998 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P10 compound treatment 2948864.629 -1010000.0 -1.09 2998344.538 -1080000.0 -1.12 -1.5642 -0.9999 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P11 mock treatment 3635868.085 -321000.0 -0.35 3410803.419 -665000.0 -0.69 -0.7343 -0.9495 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P12 mock treatment 3281814.516 -675000.0 -0.73 3244327.869 -831000.0 -0.86 -1.1281 -0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P13 compound treatment 3515486.842 -441000.0 -0.48 3315345.133 -760000.0 -0.79 -0.8968 -0.9711 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P14 compound treatment 3332584.314 -624000.0 -0.68 3024247.863 -1050000.0 -1.09 -1.2509 -0.9734 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P15 compound treatment 3341763.713 -615000.0 -0.67 3140367.857 -935000.0 -0.97 -1.1586 -0.9831 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P16 compound treatment 2893196.581 -1060000.0 -1.15 2768233.716 -1310000.0 -1.36 -1.776 -0.9967 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P17 compound treatment 3152757.246 -804000.0 -0.87 3759825.472 -316000.0 -0.33 -0.8482 -0.9109 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P18 compound treatment 2987552.98 -969000.0 -1.05 2954865.9 -1120000.0 -1.16 -1.5665 -0.9987 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P19 compound treatment 4213052.402 257000.0 0.28 3788655.022 -287000.0 -0.3 -0.0141 -0.0345 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P20 compound treatment 2570086.331 -1390000.0 -1.5 2732555.556 -1340000.0 -1.4 -2.0499 -0.9993 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P21 compound treatment 3024284.615 -932000.0 -1.01 2695981.061 -1380000.0 -1.43 -1.7286 -0.9854 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P22 compound treatment 2355156.156 -1600000.0 -1.74 2380887.372 -1690000.0 -1.76 -2.4732 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P23 compound treatment 2735115.556 -1220000.0 -1.32 2806625.926 -1270000.0 -1.32 -1.869 -1.0 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2098 P24 compound treatment 1960260.317 -2000000.0 -2.16 2245878.571 -1830000.0 -1.9 -2.8752 -0.9979 3189006 PK04_098320 CC(C)[Si](OCCCNS(=O)(=O)c1ccc(Br)cc1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A01 compound treatment 3792429.952 -98000.0 -0.11 3136235.0 -314000.0 -0.33 -0.3059 -0.8913 3052787 PK04_100001 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A02 compound treatment 3642705.882 -248000.0 -0.27 3542447.115 92300.0 0.1 -0.1221 -0.4282 3052649 PK04_100002 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A03 compound treatment 4254575.61 364000.0 0.39 3777826.733 328000.0 0.34 0.52 0.9973 3176622 PK04_100003 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A04 compound treatment 4096546.798 206000.0 0.22 3590662.037 140000.0 0.15 0.2613 0.9787 3175961 PK04_100004 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A05 compound treatment 4011661.458 121000.0 0.13 3265336.634 -185000.0 -0.19 -0.0429 -0.1844 3176556 PK04_100005 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A06 compound treatment 3868700.0 -21800.0 -0.02 3334517.241 -116000.0 -0.12 -0.1017 -0.83 3176630 PK04_100006 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A07 compound treatment 3941068.063 50600.0 0.05 3559232.323 109000.0 0.11 0.119 0.9446 3175901 PK04_100007 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A08 compound treatment 4380370.0 490000.0 0.53 3092162.562 -358000.0 -0.37 0.1125 0.1734 3176729 PK04_100008 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A09 compound treatment 2983784.861 -907000.0 -0.98 3054628.141 -396000.0 -0.41 -0.9859 -0.9252 3052580 PK04_100009 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A10 compound treatment 3987714.286 97300.0 0.11 3470507.389 20300.0 0.02 0.0895 0.8322 3176731 PK04_100010 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A11 compound treatment 3976523.56 86100.0 0.09 3370650.485 -79500.0 -0.08 0.0075 0.0604 3176633 PK04_100011 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A12 compound treatment 4090901.961 200000.0 0.22 3400412.322 -49800.0 -0.05 0.1171 0.5242 3176445 PK04_100012 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A13 mock treatment 4079224.49 189000.0 0.2 3932677.249 482000.0 0.5 0.4994 0.9219 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A14 mock treatment 3886673.575 -3780.0 0.0 3457952.381 7770.0 0.01 0.0028 0.3108 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A15 compound treatment 3200939.394 -690000.0 -0.75 2970876.19 -479000.0 -0.5 -0.8809 -0.9805 3175963 PK04_100013 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A16 compound treatment 3737834.197 -153000.0 -0.17 3497635.468 47500.0 0.05 -0.0821 -0.4757 3052785 PK04_100014 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A17 compound treatment 4174220.513 284000.0 0.31 3192095.455 -258000.0 -0.27 0.0279 0.0683 3052837 PK04_100015 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A18 compound treatment 4109984.211 220000.0 0.24 3382057.895 -68100.0 -0.07 0.1182 0.4761 3176262 PK04_100016 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A19 compound treatment 3935541.463 45100.0 0.05 3021532.995 -429000.0 -0.45 -0.2805 -0.6258 3176686 PK04_100017 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A20 compound treatment 3818860.36 -71600.0 -0.08 3042438.679 -408000.0 -0.42 -0.3546 -0.8229 3176371 PK04_100018 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A21 compound treatment 3312916.667 -578000.0 -0.63 2929181.818 -521000.0 -0.54 -0.8257 -0.9974 3052829 PK04_100019 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A22 compound treatment 3247621.399 -643000.0 -0.7 3135306.533 -315000.0 -0.33 -0.7243 -0.9406 3052833 PK04_100020 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A23 compound treatment 3008486.395 -882000.0 -0.96 3018640.187 -432000.0 -0.45 -0.9934 -0.9405 3052878 PK04_100021 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 A24 compound treatment 3473014.634 -417000.0 -0.45 3215129.187 -235000.0 -0.24 -0.4928 -0.9581 3052694 PK04_100022 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B01 compound treatment 4156162.437 266000.0 0.29 4163535.519 713000.0 0.74 0.728 0.9152 3052928 PK04_100023 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B02 compound treatment 5040027.473 1150000.0 1.25 2577156.584 -873000.0 -0.91 0.2397 0.1555 3052800 PK04_100024 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B03 compound treatment 4824923.077 934000.0 1.01 4619906.404 1170000.0 1.22 1.5762 0.9959 3052842 PK04_100025 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B04 compound treatment 854368.4211 -3040000.0 -3.29 959895.5224 -2490000.0 -2.59 -4.158 -0.9929 3176782 PK04_100026 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B05 compound treatment 4317991.525 428000.0 0.46 3830773.148 381000.0 0.4 0.6075 0.9969 3175971 PK04_100027 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B06 compound treatment 5043439.153 1150000.0 1.25 3381402.913 -68800.0 -0.07 0.8334 0.6656 3176561 PK04_100028 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B07 compound treatment 4841512.821 951000.0 1.03 4012878.505 563000.0 0.58 1.1427 0.9639 3176369 PK04_100029 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B08 compound treatment 4516139.303 626000.0 0.68 4018410.714 568000.0 0.59 0.8973 0.9976 3176441 PK04_100030 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B09 compound treatment 5060202.899 1170000.0 1.27 3767155.779 317000.0 0.33 1.1298 0.8622 3052641 PK04_100031 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B10 compound treatment 4361214.286 471000.0 0.51 3892535.354 442000.0 0.46 0.686 0.9986 3176555 PK04_100032 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B11 compound treatment 4518483.254 628000.0 0.68 4262726.368 813000.0 0.84 1.0787 0.9943 3176554 PK04_100033 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B12 compound treatment 4425379.808 535000.0 0.58 3970267.016 520000.0 0.54 0.7924 0.9994 3052747 PK04_100034 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B13 mock treatment 4501677.57 611000.0 0.66 3750052.91 300000.0 0.31 0.689 0.9408 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B14 mock treatment 4627783.92 737000.0 0.8 3824724.868 375000.0 0.39 0.8406 0.9453 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B15 compound treatment 1403154.639 -2490000.0 -2.7 1754340.0 -1700000.0 -1.76 -3.1534 -0.9788 3052707 PK04_100035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B16 compound treatment 3976218.447 85800.0 0.09 3363216.346 -87000.0 -0.09 0.0018 0.0142 3176447 PK04_100036 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B17 compound treatment 3941032.71 50600.0 0.05 4116856.436 667000.0 0.69 0.5288 0.7607 3176194 PK04_100037 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B18 compound treatment 5185278.607 1290000.0 1.4 3807313.433 357000.0 0.37 1.2552 0.8644 3176504 PK04_100038 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B19 compound treatment 3766034.483 -124000.0 -0.13 3241187.817 -209000.0 -0.22 -0.249 -0.9737 3176439 PK04_100039 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B20 compound treatment 4311094.787 421000.0 0.46 3340323.404 -110000.0 -0.11 0.2418 0.5142 3176678 PK04_100040 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B21 compound treatment 3562561.702 -328000.0 -0.36 3109967.742 -340000.0 -0.35 -0.5014 -1.0 3176260 PK04_100041 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B22 compound treatment 3330355.372 -560000.0 -0.61 3162811.659 -287000.0 -0.3 -0.6406 -0.9466 3176621 PK04_100042 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B23 compound treatment 3182936.17 -708000.0 -0.77 3389684.426 -60500.0 -0.06 -0.5869 -0.7625 3176370 PK04_100043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 B24 compound treatment 3982990.099 92500.0 0.1 3842936.893 393000.0 0.41 0.3596 0.8554 3176636 PK04_100044 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C01 compound treatment 3650601.01 -240000.0 -0.26 2931099.174 -519000.0 -0.54 -0.5654 -0.944 3052532 PK04_100045 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C02 compound treatment 4189502.674 299000.0 0.32 3721038.627 271000.0 0.28 0.4284 0.9975 3052638 PK04_100046 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C03 compound treatment 4110353.846 220000.0 0.24 3774223.14 324000.0 0.34 0.4068 0.9857 3052540 PK04_100047 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C04 compound treatment 4069655.0 179000.0 0.19 3767617.647 317000.0 0.33 0.3707 0.9681 3052751 PK04_100048 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C05 compound treatment 4252326.203 362000.0 0.39 3767387.56 317000.0 0.33 0.5106 0.9963 3052702 PK04_100049 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C06 compound treatment 4107011.111 217000.0 0.23 3308251.309 -142000.0 -0.15 0.0617 0.2226 3176680 PK04_100050 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C07 compound treatment 4498420.561 608000.0 0.66 3506761.905 56600.0 0.06 0.5077 0.7671 3052743 PK04_100051 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C08 compound treatment 4076130.89 186000.0 0.2 3149730.769 -300000.0 -0.31 -0.0785 -0.2112 3176043 PK04_100052 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C09 compound treatment 3224991.228 -665000.0 -0.72 2924147.959 -526000.0 -0.55 -0.8968 -0.9906 3052925 PK04_100053 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C10 compound treatment 3770345.029 -120000.0 -0.13 3162754.286 -287000.0 -0.3 -0.3033 -0.9308 3176324 PK04_100054 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C11 mock treatment 4232627.358 342000.0 0.37 3224686.747 -225000.0 -0.23 0.0966 0.2201 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C12 mock treatment 4230230.366 340000.0 0.37 3241677.778 -209000.0 -0.22 0.1073 0.2509 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C13 compound treatment 3233721.739 -657000.0 -0.71 2711670.683 -739000.0 -0.77 -1.0463 -0.9993 3176376 PK04_100055 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C14 compound treatment 3986938.776 96500.0 0.1 3619331.658 169000.0 0.18 0.1983 0.9693 3176324 PK04_100056 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C15 mock treatment 4369371.287 479000.0 0.52 3414091.398 -36100.0 -0.04 0.3407 0.6543 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C16 mock treatment 3807426.724 -83000.0 -0.09 3404624.39 -45600.0 -0.05 -0.0971 -0.955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C17 compound treatment 3724358.65 -166000.0 -0.18 3127319.149 -323000.0 -0.34 -0.3646 -0.9574 3052884 PK04_100057 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C18 compound treatment 3769500.0 -121000.0 -0.13 2903132.653 -547000.0 -0.57 -0.4948 -0.8479 3176562 PK04_100058 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C19 compound treatment 3825570.755 -64900.0 -0.07 3385363.184 -64800.0 -0.07 -0.0974 -0.9998 3176124 PK04_100059 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C20 compound treatment 3478817.778 -412000.0 -0.45 3320058.201 -130000.0 -0.14 -0.4112 -0.8818 3052784 PK04_100060 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C21 compound treatment 3186638.498 -704000.0 -0.76 3073584.906 -377000.0 -0.39 -0.8164 -0.9519 3052792 PK04_100061 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C22 compound treatment 3611204.082 -279000.0 -0.3 3007386.74 -443000.0 -0.46 -0.5395 -0.9794 3052749 PK04_100062 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C23 compound treatment 3152765.854 -738000.0 -0.8 2804000.0 -646000.0 -0.67 -1.0405 -0.9962 3176204 PK04_100063 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 C24 compound treatment 3036133.663 -854000.0 -0.93 2867080.357 -583000.0 -0.61 -1.0836 -0.9789 3176041 PK04_100064 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D01 compound treatment 3232478.022 -658000.0 -0.71 3199740.331 -250000.0 -0.26 -0.6885 -0.9066 3052926 PK04_100065 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D02 compound treatment 2587335.505 -1300000.0 -1.41 2889314.159 -561000.0 -0.58 -1.4113 -0.9234 3176201 PK04_100066 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D03 compound treatment 3374748.744 -516000.0 -0.56 3074721.893 -375000.0 -0.39 -0.6713 -0.9845 3052885 PK04_100067 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D04 compound treatment 821843.3735 -3070000.0 -3.33 810506.3291 -2640000.0 -2.74 -4.2928 -0.9954 3176377 PK04_100068 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D05 compound treatment 3329674.157 -561000.0 -0.61 2778946.939 -671000.0 -0.7 -0.9233 -0.9977 3052790 PK04_100069 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D06 compound treatment 4047381.643 157000.0 0.17 3783486.726 333000.0 0.35 0.3653 0.9464 3052881 PK04_100070 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D07 compound treatment 3309068.085 -581000.0 -0.63 3368070.093 -82100.0 -0.09 -0.5061 -0.7956 3052536 PK04_100071 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D08 compound treatment 3794598.901 -95900.0 -0.1 3268677.083 -182000.0 -0.19 -0.2069 -0.9605 3052923 PK04_100072 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D09 compound treatment 3698080.952 -192000.0 -0.21 3100268.868 -350000.0 -0.36 -0.4047 -0.9652 3052690 PK04_100073 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D10 compound treatment 4114671.642 224000.0 0.24 3644659.898 194000.0 0.2 0.3148 0.9958 3052841 PK04_100074 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D11 mock treatment 3934126.697 43700.0 0.05 3213487.562 -237000.0 -0.25 -0.1405 -0.5607 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D12 mock treatment 3743440.0 -147000.0 -0.16 3392420.29 -57800.0 -0.06 -0.1552 -0.911 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D13 compound treatment 3727172.222 -163000.0 -0.18 3397424.39 -52800.0 -0.05 -0.164 -0.8847 3176624 PK04_100075 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D14 compound treatment 871054.7945 -3020000.0 -3.27 967892.3077 -2480000.0 -2.58 -4.1394 -0.9931 3176375 PK04_100076 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D15 mock treatment 3550404.372 -340000.0 -0.37 3319695.652 -130000.0 -0.14 -0.3566 -0.9078 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D16 mock treatment 3840535.912 -49900.0 -0.05 3587514.706 137000.0 0.14 0.0627 0.4105 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D17 compound treatment 3039032.653 -851000.0 -0.92 3483990.148 33800.0 0.04 -0.6279 -0.6797 3176503 PK04_100077 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D18 compound treatment 3227500.0 -663000.0 -0.72 3158556.098 -292000.0 -0.3 -0.7226 -0.9263 3052543 PK04_100078 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D19 compound treatment 2940528.958 -950000.0 -1.03 2956552.511 -494000.0 -0.51 -1.0911 -0.9482 3052538 PK04_100079 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D20 compound treatment 3230400.881 -660000.0 -0.72 3223588.745 -227000.0 -0.24 -0.6726 -0.8927 3052705 PK04_100080 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D21 compound treatment 2939172.549 -951000.0 -1.03 2720290.816 -730000.0 -0.76 -1.2658 -0.9886 3052691 PK04_100081 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D22 compound treatment 3106752.066 -784000.0 -0.85 2949386.364 -501000.0 -0.52 -0.9689 -0.9723 3052534 PK04_100082 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D23 compound treatment 2733665.37 -1160000.0 -1.25 3022308.824 -428000.0 -0.44 -1.2014 -0.9028 3176202 PK04_100083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 D24 compound treatment 2970447.005 -920000.0 -1.0 2750302.789 -700000.0 -0.73 -1.2198 -0.988 3176197 PK04_100084 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E01 mock treatment 4061410.891 171000.0 0.19 3365642.857 -84500.0 -0.09 0.0689 0.3361 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E02 mock treatment 4493856.354 603000.0 0.65 4348410.256 898000.0 0.93 1.1228 0.9849 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E03 compound treatment 4824269.036 934000.0 1.01 3836146.067 386000.0 0.4 0.9996 0.9179 3176672 PK04_100085 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E04 compound treatment 4588630.682 698000.0 0.76 3878708.861 429000.0 0.45 0.8502 0.968 3052883 PK04_100086 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E05 compound treatment 5065365.482 1170000.0 1.27 4277305.419 827000.0 0.86 1.5087 0.9817 3176126 PK04_100087 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E06 compound treatment 4866352.332 976000.0 1.06 4131944.724 682000.0 0.71 1.2493 0.981 3052533 PK04_100088 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E07 compound treatment 4150597.633 260000.0 0.28 3820892.704 371000.0 0.39 0.4719 0.9882 3175839 PK04_100089 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E08 compound treatment 4924104.478 1030000.0 1.12 3965538.071 515000.0 0.54 1.1713 0.9429 3052695 PK04_100090 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E09 mock treatment 4549351.955 659000.0 0.71 3543028.09 92800.0 0.1 0.5734 0.7954 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E10 mock treatment 4538873.171 648000.0 0.7 3755735.45 306000.0 0.32 0.7217 0.9355 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E11 compound treatment 1270660.0 -2620000.0 -2.84 1396127.66 -2050000.0 -2.14 -3.5183 -0.9901 3176568 PK04_100091 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E12 compound treatment 4637621.891 747000.0 0.81 3990933.333 541000.0 0.56 0.9703 0.984 3176044 PK04_100092 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E13 compound treatment 3685640.394 -205000.0 -0.22 2114233.871 -1340000.0 -1.39 -1.1389 -0.8099 3052753 PK04_100093 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E14 compound treatment 3939843.882 49400.0 0.05 3894176.471 444000.0 0.46 0.3642 0.7839 3175962 PK04_100094 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E15 compound treatment 3093851.852 -797000.0 -0.86 3054644.068 -396000.0 -0.41 -0.9015 -0.9424 3176325 PK04_100095 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E16 compound treatment 4286283.654 396000.0 0.43 3697761.658 248000.0 0.26 0.4854 0.9701 3052542 PK04_100096 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E17 mock treatment 4148675.439 258000.0 0.28 3559781.095 110000.0 0.11 0.2785 0.9215 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E18 mock treatment 4361969.849 472000.0 0.51 3526147.959 76000.0 0.08 0.4173 0.8067 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E19 compound treatment 1484660.0 -2410000.0 -2.61 1741826.667 -1710000.0 -1.78 -3.1001 -0.9824 3052746 PK04_100097 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E20 compound treatment 4472852.041 582000.0 0.63 3904520.548 454000.0 0.47 0.7804 0.9898 3176676 PK04_100098 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E21 compound treatment 4133460.829 243000.0 0.26 3588826.923 139000.0 0.14 0.2882 0.9597 3052756 PK04_100099 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E22 compound treatment 4325463.542 435000.0 0.47 3488570.681 38400.0 0.04 0.3617 0.7642 3176560 PK04_100100 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E23 compound treatment 4069386.792 179000.0 0.19 3458811.966 8630.0 0.01 0.1435 0.739 3052487 PK04_100101 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 E24 compound treatment 3522401.914 -368000.0 -0.4 3338686.275 -111000.0 -0.12 -0.3641 -0.8763 3176563 PK04_100102 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F01 mock treatment 3834974.359 -55500.0 -0.06 3359163.043 -91000.0 -0.09 -0.1094 -0.9761 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F02 mock treatment 5131313.725 1240000.0 1.35 4173947.917 724000.0 0.75 1.4833 0.9623 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F03 compound treatment 4121491.525 231000.0 0.25 3490975.962 40800.0 0.04 0.2071 0.8152 3176684 PK04_100103 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F04 compound treatment 3678448.148 -212000.0 -0.23 3085891.626 -364000.0 -0.38 -0.4303 -0.9714 3176121 PK04_100104 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F05 compound treatment 4431896.226 541000.0 0.59 3603097.826 153000.0 0.16 0.5275 0.8673 3176435 PK04_100105 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F06 compound treatment 4646193.833 756000.0 0.82 3730495.238 280000.0 0.29 0.7854 0.9031 3176627 PK04_100106 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F07 compound treatment 4419318.182 529000.0 0.57 3730321.429 280000.0 0.29 0.6114 0.9506 3176774 PK04_100107 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F08 compound treatment 4985748.815 1100000.0 1.19 3858490.741 408000.0 0.42 1.1399 0.9038 3174822 PK04_100108 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F09 mock treatment 4174188.889 284000.0 0.31 3992144.033 542000.0 0.56 0.6159 0.9595 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F10 mock treatment 4322989.418 433000.0 0.47 3521579.439 71400.0 0.07 0.3841 0.8089 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F11 compound treatment 4559818.182 669000.0 0.73 3747649.038 297000.0 0.31 0.7318 0.9277 3176192 PK04_100109 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F12 compound treatment 4454716.418 564000.0 0.61 3600875.622 151000.0 0.16 0.5434 0.8604 3052594 PK04_100110 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F13 compound treatment 4581849.246 691000.0 0.75 3952433.333 502000.0 0.52 0.8992 0.9844 3052748 PK04_100111 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F14 compound treatment 2927185.185 -963000.0 -1.04 2927924.444 -522000.0 -0.54 -1.1224 -0.9535 3176567 PK04_100112 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F15 compound treatment 4034500.0 144000.0 0.16 3683004.566 233000.0 0.24 0.2816 0.9776 3052759 PK04_100113 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F16 compound treatment 1315541.667 -2570000.0 -2.79 1326978.723 -2120000.0 -2.21 -3.5347 -0.9932 3176780 PK04_100114 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F17 mock treatment 3880518.868 -9930.0 -0.01 2898883.178 -551000.0 -0.57 -0.4128 -0.7203 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F18 mock treatment 3793862.832 -96600.0 -0.1 3149207.373 -301000.0 -0.31 -0.2953 -0.895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F19 compound treatment 4150971.564 261000.0 0.28 3029604.061 -421000.0 -0.44 -0.1094 -0.2101 3176625 PK04_100115 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F20 compound treatment 4236490.566 346000.0 0.38 3591685.99 142000.0 0.15 0.3693 0.9164 3052750 PK04_100116 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F21 compound treatment 3784311.284 -106000.0 -0.12 2985659.292 -465000.0 -0.48 -0.4228 -0.8518 3052889 PK04_100117 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F22 compound treatment 3641240.175 -249000.0 -0.27 3048446.352 -402000.0 -0.42 -0.4863 -0.9778 3052696 PK04_100118 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F23 compound treatment 3544679.487 -346000.0 -0.37 3289892.43 -160000.0 -0.17 -0.3829 -0.9333 3176674 PK04_100119 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 F24 compound treatment 3589735.043 -301000.0 -0.33 3059730.435 -390000.0 -0.41 -0.5175 -0.9941 3176436 PK04_100120 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G01 compound treatment 4121871.658 231000.0 0.25 3354048.913 -96100.0 -0.1 0.1068 0.3953 3052845 PK04_100121 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G02 compound treatment 4656895.833 766000.0 0.83 3969234.513 519000.0 0.54 0.9691 0.9781 3052835 PK04_100122 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G03 mock treatment 4411052.632 521000.0 0.56 3709408.163 259000.0 0.27 0.5897 0.9427 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G04 mock treatment 4271641.86 381000.0 0.41 3884128.205 434000.0 0.45 0.6112 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G05 compound treatment 4696126.316 806000.0 0.87 3785970.443 336000.0 0.35 0.8645 0.919 3176502 PK04_100123 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G06 compound treatment 4083738.318 193000.0 0.21 3523528.571 73300.0 0.08 0.2021 0.9062 3176265 PK04_100124 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G07 compound treatment 1518163.265 -2370000.0 -2.57 1264181.818 -2190000.0 -2.27 -3.4255 -0.9981 3052742 PK04_100125 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G08 compound treatment 4096190.476 206000.0 0.22 2918845.865 -531000.0 -0.55 -0.2328 -0.3908 3052639 PK04_100126 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G09 compound treatment 2922573.394 -968000.0 -1.05 2564531.646 -886000.0 -0.92 -1.393 -0.9979 3176200 PK04_100127 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G10 compound treatment 3760107.759 -130000.0 -0.14 2761341.637 -689000.0 -0.72 -0.6062 -0.8307 3052650 PK04_100128 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G11 compound treatment 3574811.321 -316000.0 -0.34 2934624.39 -516000.0 -0.54 -0.6209 -0.9765 3176683 PK04_100129 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G12 compound treatment 3729062.78 -161000.0 -0.17 3036194.444 -414000.0 -0.43 -0.428 -0.9214 3176631 PK04_100130 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G13 compound treatment 4198956.522 309000.0 0.33 3502015.075 51800.0 0.05 0.2746 0.8105 3176045 PK04_100131 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G14 compound treatment 4075200.873 185000.0 0.2 3728170.404 278000.0 0.29 0.346 0.984 3176196 PK04_100132 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G15 compound treatment 1735818.182 -2150000.0 -2.34 2234513.158 -1220000.0 -1.26 -2.5454 -0.9584 3176446 PK04_100133 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G16 compound treatment 3891203.98 753.0 0.0 3320747.863 -129000.0 -0.13 -0.0946 -0.7028 3052834 PK04_100134 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G17 compound treatment 3449717.687 -441000.0 -0.48 3300599.078 -150000.0 -0.16 -0.4478 -0.8912 3052640 PK04_100135 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G18 compound treatment 3573185.874 -317000.0 -0.34 3854427.23 404000.0 0.42 0.0539 0.0992 3176727 PK04_100136 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G19 mock treatment 3871992.337 -18500.0 -0.02 3778901.478 329000.0 0.34 0.2274 0.6645 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G20 mock treatment 4417362.694 527000.0 0.57 3635190.265 185000.0 0.19 0.54 0.8957 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G21 compound treatment 4295835.749 405000.0 0.44 3167250.0 -283000.0 -0.29 0.1029 0.1945 3176272 PK04_100137 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G22 compound treatment 4481289.474 591000.0 0.64 3689232.558 239000.0 0.25 0.6287 0.915 3176261 PK04_100138 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G23 compound treatment 4152520.202 262000.0 0.28 3437930.233 -12300.0 -0.01 0.1919 0.6747 3176513 PK04_100139 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 G24 compound treatment 3806976.19 -83500.0 -0.09 3907982.609 458000.0 0.48 0.2725 0.5625 3052924 PK04_100140 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H01 compound treatment 3948491.979 58000.0 0.06 3417489.583 -32700.0 -0.03 0.0205 0.2862 3176557 PK04_100141 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H02 compound treatment 5080523.56 1190000.0 1.29 2788270.175 -662000.0 -0.69 0.4259 0.2913 3052875 PK04_100142 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H03 mock treatment 5204579.787 1310000.0 1.42 4143788.66 694000.0 0.72 1.5173 0.9502 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H04 mock treatment 4980594.872 1090000.0 1.18 4071620.112 621000.0 0.65 1.2925 0.9596 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H05 compound treatment 3247275.862 -643000.0 -0.7 3229599.174 -221000.0 -0.23 -0.6552 -0.8926 3052652 PK04_100143 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H06 compound treatment 4167334.906 277000.0 0.3 3750775.0 301000.0 0.31 0.4332 0.9998 3052786 PK04_100144 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H07 compound treatment 1053091.954 -2840000.0 -3.08 1167011.364 -2280000.0 -2.37 -3.8535 -0.9918 3176328 PK04_100145 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H08 compound treatment 4327621.495 437000.0 0.47 4362780.374 913000.0 0.95 1.0059 0.9486 3176321 PK04_100146 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H09 compound treatment 1283307.692 -2610000.0 -2.83 1813649.485 -1640000.0 -1.7 -3.2017 -0.9705 3176735 PK04_100147 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H10 compound treatment 4544303.318 654000.0 0.71 3796150.235 346000.0 0.36 0.7556 0.9505 3175969 PK04_100148 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H11 compound treatment 4204260.163 314000.0 0.34 4195573.604 745000.0 0.77 0.7884 0.9318 3176193 PK04_100149 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H12 compound treatment 4302237.624 412000.0 0.45 3334936.255 -115000.0 -0.12 0.231 0.4997 3176050 PK04_100150 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H13 compound treatment 3346400.0 -544000.0 -0.59 3258115.942 -192000.0 -0.2 -0.5583 -0.8965 3176569 PK04_100151 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H14 compound treatment 3838294.686 -52200.0 -0.06 3304094.787 -146000.0 -0.15 -0.1474 -0.9094 3052874 PK04_100152 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H15 compound treatment 3682524.272 -208000.0 -0.23 3310726.829 -139000.0 -0.14 -0.2619 -0.9772 3052832 PK04_100153 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H16 compound treatment 3431762.646 -459000.0 -0.5 3067174.468 -383000.0 -0.4 -0.6332 -0.9939 3176267 PK04_100154 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H17 compound treatment 1846436.975 -2040000.0 -2.22 1595481.132 -1850000.0 -1.93 -2.9303 -0.9976 3176378 PK04_100155 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H18 compound treatment 4049068.826 159000.0 0.17 3425279.621 -24900.0 -0.03 0.1033 0.594 3176322 PK04_100156 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H19 mock treatment 3839768.889 -50700.0 -0.05 3410211.382 -40000.0 -0.04 -0.0682 -0.9905 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H20 mock treatment 3896609.865 6160.0 0.01 3385980.583 -64200.0 -0.07 -0.0425 -0.6332 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H21 compound treatment 4218384.236 328000.0 0.36 3755720.207 306000.0 0.32 0.476 0.9984 3052801 PK04_100157 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H22 compound treatment 3900537.549 10100.0 0.01 3495848.624 45700.0 0.05 0.0413 0.8478 3176726 PK04_100158 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H23 compound treatment 3703458.678 -187000.0 -0.2 3443392.241 -6790.0 -0.01 -0.1484 -0.7313 3176558 PK04_100159 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 H24 compound treatment 3696723.14 -194000.0 -0.21 3446586.066 -3600.0 0.0 -0.1512 -0.7196 3052704 PK04_100160 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I01 compound treatment 4224896.739 334000.0 0.36 3071953.125 -378000.0 -0.39 -0.0216 -0.0403 3052648 PK04_100161 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I02 compound treatment 4811719.626 921000.0 1.0 3524716.495 74500.0 0.08 0.7611 0.7597 3176506 PK04_100162 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I03 compound treatment 4472363.208 582000.0 0.63 3895653.659 445000.0 0.46 0.7736 0.9884 3176274 PK04_100163 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I04 compound treatment 4090563.319 200000.0 0.22 3616005.025 166000.0 0.17 0.2753 0.9935 3176679 PK04_100164 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I05 mock treatment 4035016.807 145000.0 0.16 3353202.83 -97000.0 -0.1 0.0396 0.2123 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I06 mock treatment 3938794.643 48300.0 0.05 3184094.262 -266000.0 -0.28 -0.1585 -0.5631 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I07 compound treatment 3138629.787 -752000.0 -0.82 2715286.275 -735000.0 -0.76 -1.1165 -0.9995 3052930 PK04_100165 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I08 compound treatment 3661965.665 -228000.0 -0.25 3024262.097 -426000.0 -0.44 -0.4882 -0.9624 3176444 PK04_100166 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I09 compound treatment 2814491.15 -1080000.0 -1.17 2862609.959 -588000.0 -0.61 -1.2568 -0.9544 3052697 PK04_100167 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I10 compound treatment 3316179.688 -574000.0 -0.62 2985000.0 -465000.0 -0.48 -0.7822 -0.9922 3176731 PK04_100168 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I11 compound treatment 3542649.289 -348000.0 -0.38 3039306.977 -411000.0 -0.43 -0.5686 -0.9981 3052535 PK04_100169 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I12 compound treatment 3367276.018 -523000.0 -0.57 3072459.144 -378000.0 -0.39 -0.6787 -0.9838 3176198 PK04_100170 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I13 compound treatment 3849800.0 -40700.0 -0.04 3308340.426 -142000.0 -0.15 -0.1354 -0.88 3176119 PK04_100171 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I14 compound treatment 3814673.913 -75800.0 -0.08 2957952.381 -492000.0 -0.51 -0.4199 -0.8103 3176442 PK04_100172 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I15 compound treatment 3844101.852 -46300.0 -0.05 3310091.371 -140000.0 -0.15 -0.1385 -0.8991 3176566 PK04_100173 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I16 compound treatment 3689091.324 -201000.0 -0.22 3109179.592 -341000.0 -0.35 -0.405 -0.9729 3052844 PK04_100174 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I17 compound treatment 3226200.743 -664000.0 -0.72 3057264.706 -393000.0 -0.41 -0.7981 -0.9639 3176781 PK04_100175 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I18 compound treatment 3403399.194 -487000.0 -0.53 3115104.0 -335000.0 -0.35 -0.6197 -0.9796 3052891 PK04_100176 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I19 compound treatment 3473958.678 -416000.0 -0.45 3198814.48 -251000.0 -0.26 -0.5041 -0.9662 3052840 PK04_100177 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I20 compound treatment 3316957.895 -573000.0 -0.62 3097200.837 -353000.0 -0.37 -0.6991 -0.9683 3174821 PK04_100178 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I21 mock treatment 3536982.222 -353000.0 -0.38 3264660.287 -186000.0 -0.19 -0.4074 -0.9495 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I22 mock treatment 3666800.905 -224000.0 -0.24 3173069.124 -277000.0 -0.29 -0.3751 -0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I23 compound treatment 3576817.797 -314000.0 -0.34 3235222.772 -215000.0 -0.22 -0.3985 -0.9792 3176670 PK04_100179 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 I24 compound treatment 3273321.285 -617000.0 -0.67 2936452.586 -514000.0 -0.53 -0.8507 -0.9937 3176728 PK04_100180 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J01 compound treatment 3501632.184 -389000.0 -0.42 2782021.277 -668000.0 -0.69 -0.7892 -0.9714 3176783 PK04_100181 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J02 compound treatment 4815014.423 925000.0 1.0 2877057.269 -573000.0 -0.6 0.2876 0.2466 3176448 PK04_100182 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J03 compound treatment 4800070.352 910000.0 0.99 3351709.402 -98500.0 -0.1 0.625 0.6303 3176047 PK04_100183 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J04 compound treatment 4530104.545 640000.0 0.69 3732514.286 282000.0 0.29 0.6979 0.9268 3176269 PK04_100184 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J05 mock treatment 4571955.882 682000.0 0.74 3690846.154 241000.0 0.25 0.6994 0.8965 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J06 mock treatment 4612004.695 722000.0 0.78 3554088.785 104000.0 0.11 0.6296 0.7972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J07 compound treatment 3870434.211 -20000.0 -0.02 3643953.704 194000.0 0.2 0.1271 0.6273 3176635 PK04_100185 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J08 compound treatment 4150617.925 260000.0 0.28 3592328.571 142000.0 0.15 0.3039 0.9545 3176114 PK04_100186 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J09 compound treatment 3976811.927 86400.0 0.09 3787452.736 337000.0 0.35 0.3141 0.8656 3175966 PK04_100187 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J10 compound treatment 4377581.59 487000.0 0.53 3567044.118 117000.0 0.12 0.4594 0.8476 3052757 PK04_100188 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J11 compound treatment 4063389.908 173000.0 0.19 3242464.646 -208000.0 -0.22 -0.0201 -0.0702 3174819 PK04_100189 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J12 compound treatment 3806506.494 -83900.0 -0.09 3399000.0 -51200.0 -0.05 -0.102 -0.9673 3176738 PK04_100190 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J13 compound treatment 3849844.622 -40600.0 -0.04 3370030.702 -80200.0 -0.08 -0.09 -0.9556 3176380 PK04_100191 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J14 compound treatment 3746791.262 -144000.0 -0.16 3248616.114 -202000.0 -0.21 -0.2583 -0.9893 3176199 PK04_100192 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J15 compound treatment 3696794.574 -194000.0 -0.21 3097759.336 -352000.0 -0.37 -0.4075 -0.9651 3176623 PK04_100193 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J16 compound treatment 3778352.381 -112000.0 -0.12 3393610.577 -56600.0 -0.06 -0.1275 -0.9445 3176632 PK04_100194 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J17 compound treatment 3797134.328 -93300.0 -0.1 3048030.837 -402000.0 -0.42 -0.3671 -0.8536 3052795 PK04_100195 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J18 compound treatment 3483313.725 -407000.0 -0.44 3112013.333 -338000.0 -0.35 -0.5607 -0.9936 3052636 PK04_100196 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J19 compound treatment 3647927.35 -243000.0 -0.26 2523476.703 -927000.0 -0.96 -0.867 -0.8684 3052591 PK04_100197 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J20 compound treatment 3730599.156 -160000.0 -0.17 2963961.039 -486000.0 -0.51 -0.4799 -0.8983 3176629 PK04_100198 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J21 mock treatment 3236453.441 -654000.0 -0.71 2977347.49 -473000.0 -0.49 -0.8489 -0.984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J22 mock treatment 3217412.639 -673000.0 -0.73 3090232.0 -360000.0 -0.37 -0.7806 -0.9518 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J23 compound treatment 3086299.213 -804000.0 -0.87 2901385.827 -549000.0 -0.57 -1.0199 -0.9788 3176776 PK04_100199 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 J24 compound treatment 2821274.436 -1070000.0 -1.16 2381064.189 -1070000.0 -1.11 -1.6055 -0.9998 3052544 PK04_100200 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K01 compound treatment 3809695.876 -80800.0 -0.09 2965120.0 -485000.0 -0.5 -0.4184 -0.8177 3176739 PK04_100201 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K02 compound treatment 4310023.148 420000.0 0.45 3832091.346 382000.0 0.4 0.6024 0.9977 3176042 PK04_100202 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K03 compound treatment 4343231.111 453000.0 0.49 3866207.373 416000.0 0.43 0.6529 0.998 3052528 PK04_100203 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K04 compound treatment 4172858.447 282000.0 0.31 3919497.738 469000.0 0.49 0.5615 0.9748 3176564 PK04_100204 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K05 compound treatment 4224331.818 334000.0 0.36 3961232.558 511000.0 0.53 0.6316 0.9825 3176329 PK04_100205 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K06 compound treatment 4028877.551 138000.0 0.15 3418190.476 -32000.0 -0.03 0.0826 0.5374 3052588 PK04_100206 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K07 mock treatment 3647860.627 -243000.0 -0.26 3629271.493 179000.0 0.19 -0.0544 -0.1687 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K08 mock treatment 4033258.621 143000.0 0.15 3454569.507 4390.0 0.0 0.1127 0.7276 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K09 compound treatment 1414223.684 -2480000.0 -2.68 1288150.685 -2160000.0 -2.25 -3.4875 -0.9961 3176733 PK04_100207 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K10 compound treatment 4025141.732 135000.0 0.15 3249219.178 -201000.0 -0.21 -0.0444 -0.1744 3052589 PK04_100208 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K11 compound treatment 3792144.628 -98300.0 -0.11 3922985.222 473000.0 0.49 0.2721 0.5412 3052651 PK04_100209 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K12 compound treatment 3560285.171 -330000.0 -0.36 3266107.28 -184000.0 -0.19 -0.3884 -0.9569 3176507 PK04_100210 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K13 compound treatment 3377903.704 -513000.0 -0.56 3658550.725 208000.0 0.22 -0.2398 -0.4021 3052706 PK04_100211 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K14 compound treatment 3971147.826 80700.0 0.09 3706606.481 256000.0 0.27 0.2503 0.8924 3175959 PK04_100212 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K15 mock treatment 3630912.088 -260000.0 -0.28 3441139.918 -9040.0 -0.01 -0.2056 -0.7303 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K16 mock treatment 3905650.862 15200.0 0.02 3386110.32 -64100.0 -0.07 -0.0354 -0.5165 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K17 compound treatment 3681804.0 -209000.0 -0.23 3655290.698 205000.0 0.21 -0.0092 -0.0297 3174817 PK04_100213 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K18 compound treatment 3783938.697 -107000.0 -0.12 3474810.606 24600.0 0.03 -0.0636 -0.5373 3176725 PK04_100214 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K19 compound treatment 3914500.0 24000.0 0.03 3685623.894 235000.0 0.24 0.1915 0.778 3052537 PK04_100215 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K20 compound treatment 3834720.0 -55700.0 -0.06 3537473.118 87300.0 0.09 0.0214 0.1966 3052596 PK04_100216 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K21 compound treatment 3624530.864 -266000.0 -0.29 3572296.443 122000.0 0.13 -0.1141 -0.3623 3176049 PK04_100217 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K22 compound treatment 4229285.714 339000.0 0.37 3709404.651 259000.0 0.27 0.4503 0.9884 3052637 PK04_100218 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K23 mock treatment 3894654.028 4200.0 0.0 3861600.0 411000.0 0.43 0.3056 0.7146 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 K24 mock treatment 3467215.447 -423000.0 -0.46 3539913.876 89700.0 0.09 -0.2585 -0.5521 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L01 compound treatment 4190697.436 300000.0 0.33 3357645.631 -92500.0 -0.1 0.1622 0.4778 3052595 PK04_100219 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L02 compound treatment 4514738.095 624000.0 0.68 3233405.983 -217000.0 -0.23 0.3193 0.4476 3176046 PK04_100220 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L03 compound treatment 4814186.603 924000.0 1.0 4414810.0 965000.0 1.0 1.4172 1.0 3052585 PK04_100221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L04 compound treatment 3457767.196 -433000.0 -0.47 2545951.22 -904000.0 -0.94 -0.9963 -0.9485 3176734 PK04_100222 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L05 compound treatment 4877168.224 987000.0 1.07 3691474.747 241000.0 0.25 0.9339 0.8498 3176688 PK04_100223 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L06 compound treatment 5175776.316 1290000.0 1.39 4426457.547 976000.0 1.01 1.703 0.9879 3176372 PK04_100224 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L07 mock treatment 4424942.982 534000.0 0.58 4021532.468 571000.0 0.59 0.8297 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L08 mock treatment 4558343.348 668000.0 0.72 3986834.906 537000.0 0.56 0.9065 0.9917 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L09 compound treatment 4011745.37 121000.0 0.13 3804754.545 355000.0 0.37 0.3536 0.9036 3176559 PK04_100225 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L10 compound treatment 4096639.485 206000.0 0.22 4235110.204 785000.0 0.82 0.735 0.8688 3052527 PK04_100226 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L11 compound treatment 3584482.587 -306000.0 -0.33 3443364.486 -6820.0 -0.01 -0.2396 -0.722 3176432 PK04_100227 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L12 compound treatment 1224000.0 -2670000.0 -2.89 2744868.263 -705000.0 -0.73 -2.5627 -0.8592 3176326 PK04_100228 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L13 compound treatment 3964996.047 74500.0 0.08 3679195.652 229000.0 0.24 0.2255 0.8969 3176737 PK04_100229 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L14 compound treatment 4276029.851 386000.0 0.42 2930095.71 -520000.0 -0.54 -0.0866 -0.1268 3175964 PK04_100230 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L15 mock treatment 3573578.231 -317000.0 -0.34 3535509.506 85300.0 0.09 -0.1802 -0.5079 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L16 mock treatment 3454088.737 -436000.0 -0.47 3439840.58 -10300.0 -0.01 -0.3422 -0.723 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L17 compound treatment 3872786.561 -17700.0 -0.02 3706979.079 257000.0 0.27 0.1752 0.6547 3176787 PK04_100231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L18 compound treatment 3581900.662 -309000.0 -0.33 3616966.165 167000.0 0.17 -0.114 -0.3025 3175960 PK04_100232 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L19 compound treatment 3604569.343 -286000.0 -0.31 3555972.0 106000.0 0.11 -0.1414 -0.43 3176273 PK04_100233 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L20 compound treatment 3992666.667 102000.0 0.11 3878063.636 428000.0 0.44 0.3928 0.8571 3052882 PK04_100234 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L21 compound treatment 3395310.03 -495000.0 -0.54 3474258.427 24100.0 0.03 -0.3619 -0.6734 3176053 PK04_100235 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L22 compound treatment 3255313.38 -635000.0 -0.69 3199228.188 -251000.0 -0.26 -0.6714 -0.9117 3052696 PK04_100236 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L23 mock treatment 3258262.799 -632000.0 -0.69 3506696.429 56500.0 0.06 -0.4432 -0.6442 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 L24 mock treatment 3126142.857 -764000.0 -0.83 3424188.976 -26000.0 -0.03 -0.6051 -0.7298 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M01 compound treatment 3006149.321 -884000.0 -0.96 2922617.225 -528000.0 -0.55 -1.0657 -0.9649 3176052 PK04_100237 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M02 compound treatment 3526836.283 -364000.0 -0.39 3188598.291 -262000.0 -0.27 -0.471 -0.9835 3176323 PK04_100238 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M03 compound treatment 3404942.308 -486000.0 -0.53 3003768.627 -446000.0 -0.46 -0.7003 -0.998 3176206 PK04_100239 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M04 compound treatment 3386271.93 -504000.0 -0.55 3259588.235 -191000.0 -0.2 -0.5266 -0.9057 3052883 PK04_100240 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M05 compound treatment 3514702.222 -376000.0 -0.41 2850530.303 -600000.0 -0.62 -0.7288 -0.9788 3052744 PK04_100241 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M06 compound treatment 3273979.167 -616000.0 -0.67 3064963.563 -385000.0 -0.4 -0.7558 -0.97 3176505 PK04_100242 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M07 compound treatment 2685000.0 -1210000.0 -1.31 2372305.195 -1080000.0 -1.12 -1.7164 -0.9971 3176434 PK04_100243 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M08 compound treatment 3138804.979 -752000.0 -0.81 2703132.075 -747000.0 -0.78 -1.1253 -0.9997 3176729 PK04_100244 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M09 mock treatment 3141036.145 -749000.0 -0.81 2658434.109 -792000.0 -0.82 -1.1565 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M10 mock treatment 3168907.692 -722000.0 -0.78 2806269.663 -644000.0 -0.67 -1.0265 -0.997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M11 compound treatment 1374021.739 -2520000.0 -2.73 1398173.913 -2050000.0 -2.13 -3.4375 -0.9926 3052590 PK04_100245 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M12 compound treatment 2932027.237 -958000.0 -1.04 2756668.0 -694000.0 -0.72 -1.2445 -0.984 3176565 PK04_100246 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M13 mock treatment 3192440.0 -698000.0 -0.76 2703313.253 -747000.0 -0.78 -1.0841 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M14 mock treatment 3233245.614 -657000.0 -0.71 2760042.969 -690000.0 -0.72 -1.0111 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M15 compound treatment 2619870.588 -1270000.0 -1.38 1812015.625 -1640000.0 -1.7 -2.1782 -0.9945 3176508 PK04_100247 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M16 compound treatment 3226205.607 -664000.0 -0.72 3042733.645 -407000.0 -0.42 -0.8087 -0.968 3052587 PK04_100248 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M17 compound treatment 2976934.694 -914000.0 -0.99 2602212.435 -848000.0 -0.88 -1.3236 -0.9983 3052643 PK04_100249 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M18 compound treatment 3250953.125 -639000.0 -0.69 2591399.194 -859000.0 -0.89 -1.1215 -0.9922 3176777 PK04_100250 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M19 compound treatment 2613341.297 -1280000.0 -1.38 2654837.5 -795000.0 -0.83 -1.5637 -0.9696 3052583 PK04_100251 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M20 compound treatment 3048201.646 -842000.0 -0.91 2813602.41 -637000.0 -0.66 -1.1136 -0.9875 3052586 PK04_100252 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M21 compound treatment 2787756.757 -1100000.0 -1.2 2495118.321 -955000.0 -0.99 -1.5474 -0.9957 3052593 PK04_100253 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M22 compound treatment 3163315.789 -727000.0 -0.79 2830961.864 -619000.0 -0.64 -1.0126 -0.9949 3176374 PK04_100254 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M23 compound treatment 3060640.927 -830000.0 -0.9 2878118.644 -572000.0 -0.59 -1.0567 -0.9798 3052699 PK04_100255 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 M24 compound treatment 2789415.966 -1100000.0 -1.19 2631231.405 -819000.0 -0.85 -1.4461 -0.9863 3176628 PK04_100256 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N01 compound treatment 3515179.245 -375000.0 -0.41 3296110.577 -154000.0 -0.16 -0.401 -0.9169 3052530 PK04_100257 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N02 compound treatment 3594894.515 -296000.0 -0.32 3244734.3 -205000.0 -0.21 -0.3776 -0.9805 3176510 PK04_100258 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N03 compound treatment 4599634.361 709000.0 0.77 4056489.177 606000.0 0.63 0.9893 0.9951 3052646 PK04_100259 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N04 compound treatment 4517751.111 627000.0 0.68 3614855.072 165000.0 0.17 0.602 0.8583 3176040 PK04_100260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N05 compound treatment 3367524.0 -523000.0 -0.57 3043140.496 -407000.0 -0.42 -0.7001 -0.9896 3052838 PK04_100261 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N06 compound treatment 4075436.019 185000.0 0.2 3955738.938 506000.0 0.53 0.5134 0.9128 3176263 PK04_100262 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N07 compound treatment 3276495.935 -614000.0 -0.67 2553673.54 -897000.0 -0.93 -1.1296 -0.9864 3176511 PK04_100263 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N08 compound treatment 3671648.0 -219000.0 -0.24 3453974.79 3790.0 0.0 -0.165 -0.6953 3052644 PK04_100264 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N09 mock treatment 3927439.462 37000.0 0.04 3273040.486 -177000.0 -0.18 -0.1018 -0.5404 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N10 mock treatment 3276897.163 -614000.0 -0.67 3271021.008 -179000.0 -0.19 -0.6021 -0.8715 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N11 compound treatment 3423089.796 -467000.0 -0.51 3134820.717 -315000.0 -0.33 -0.5901 -0.9778 3052880 PK04_100265 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N12 compound treatment 1892835.052 -2000000.0 -2.17 1419086.42 -2030000.0 -2.11 -3.0244 -0.9999 3176732 PK04_100266 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N13 mock treatment 3419205.323 -471000.0 -0.51 3170968.037 -279000.0 -0.29 -0.5665 -0.9641 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N14 mock treatment 3432093.22 -458000.0 -0.5 3175437.5 -275000.0 -0.29 -0.5534 -0.9654 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N15 compound treatment 3268238.636 -622000.0 -0.67 2831448.56 -619000.0 -0.64 -0.9318 -0.9997 3052703 PK04_100267 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N16 compound treatment 3115726.644 -775000.0 -0.84 3220614.286 -230000.0 -0.24 -0.7627 -0.8734 3176120 PK04_100268 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N17 compound treatment 2993208.791 -897000.0 -0.97 2844292.373 -606000.0 -0.63 -1.1332 -0.9778 3052843 PK04_100269 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N18 compound treatment 3323745.02 -567000.0 -0.61 2817353.909 -633000.0 -0.66 -0.8996 -0.9994 3176116 PK04_100270 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N19 compound treatment 2927313.916 -963000.0 -1.04 2639164.234 -811000.0 -0.84 -1.3345 -0.9944 3176319 PK04_100271 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N20 compound treatment 3153358.025 -737000.0 -0.8 2940303.03 -510000.0 -0.53 -0.9399 -0.9801 3052797 PK04_100272 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N21 compound treatment 3623275.591 -267000.0 -0.29 3079617.284 -371000.0 -0.39 -0.4772 -0.9901 3052581 PK04_100273 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N22 compound treatment 2657729.323 -1230000.0 -1.34 2645223.485 -805000.0 -0.84 -1.5367 -0.9745 3176118 PK04_100274 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N23 compound treatment 2665552.632 -1220000.0 -1.33 2586226.148 -864000.0 -0.9 -1.5741 -0.9818 3176207 PK04_100275 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 N24 compound treatment 2500521.739 -1390000.0 -1.51 2443553.719 -1010000.0 -1.05 -1.8055 -0.9841 3176266 PK04_100276 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O01 compound treatment 2983500.0 -907000.0 -0.98 2652200.704 -798000.0 -0.83 -1.2818 -0.9964 3176687 PK04_100277 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O02 compound treatment 3429125.541 -461000.0 -0.5 3399463.415 -50700.0 -0.05 -0.391 -0.7773 3176323 PK04_100278 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O03 compound treatment 3592219.298 -298000.0 -0.32 3740848.485 291000.0 0.3 -0.015 -0.0339 3176438 PK04_100279 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O04 compound treatment 3594917.695 -296000.0 -0.32 3530056.225 79900.0 0.08 -0.1679 -0.5072 3176117 PK04_100280 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O05 compound treatment 3484151.261 -406000.0 -0.44 3592902.128 143000.0 0.15 -0.2066 -0.4445 3176384 PK04_100281 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O06 compound treatment 3366670.996 -524000.0 -0.57 3249799.087 -200000.0 -0.21 -0.5489 -0.9073 3052695 PK04_100282 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O07 compound treatment 3395215.311 -495000.0 -0.54 2804486.056 -646000.0 -0.67 -0.8543 -0.9939 3052929 PK04_100283 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O08 compound treatment 3685130.081 -205000.0 -0.22 3311729.258 -138000.0 -0.14 -0.2592 -0.9777 3052798 PK04_100284 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O09 compound treatment 4112468.468 222000.0 0.24 3463674.208 13500.0 0.01 0.1801 0.747 3176509 PK04_100285 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O10 compound treatment 3230552.743 -660000.0 -0.72 3434327.014 -15900.0 -0.02 -0.5176 -0.7232 3176681 PK04_100286 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O11 mock treatment 3329641.667 -561000.0 -0.61 3308357.143 -142000.0 -0.15 -0.5342 -0.8538 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O12 mock treatment 3434844.828 -456000.0 -0.49 3358381.188 -91800.0 -0.1 -0.4168 -0.8284 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O13 compound treatment 3105182.186 -785000.0 -0.85 3804582.474 354000.0 0.37 -0.3416 -0.3682 3176682 PK04_100287 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O14 compound treatment 3426008.511 -464000.0 -0.5 3581341.014 131000.0 0.14 -0.2597 -0.4978 3176320 PK04_100288 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O15 compound treatment 2926348.178 -964000.0 -1.05 3377812.5 -72400.0 -0.08 -0.7924 -0.756 3176268 PK04_100289 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O16 compound treatment 3544389.908 -346000.0 -0.38 3722668.269 272000.0 0.28 -0.0651 -0.1384 3176373 PK04_100290 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O17 compound treatment 3262582.329 -628000.0 -0.68 3317314.159 -133000.0 -0.14 -0.579 -0.8336 3052700 PK04_100291 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O18 compound treatment 3094500.0 -796000.0 -0.86 2822500.0 -628000.0 -0.65 -1.0716 -0.9905 3176275 PK04_100292 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O19 compound treatment 2833092.251 -1060000.0 -1.15 2998417.391 -452000.0 -0.47 -1.1427 -0.9224 3052887 PK04_100293 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O20 compound treatment 2995240.458 -895000.0 -0.97 3094672.727 -356000.0 -0.37 -0.9476 -0.9124 3176039 PK04_100294 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O21 compound treatment 3150931.624 -740000.0 -0.8 3135218.254 -315000.0 -0.33 -0.7985 -0.9219 3176637 PK04_100295 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O22 compound treatment 3188812.749 -702000.0 -0.76 3502045.872 51900.0 0.05 -0.4998 -0.6554 3176115 PK04_100296 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O23 compound treatment 3233606.061 -657000.0 -0.71 3574383.621 124000.0 0.13 -0.4123 -0.5697 3052755 PK04_100297 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 O24 compound treatment 2697069.959 -1190000.0 -1.29 3125733.333 -324000.0 -0.34 -1.1534 -0.8626 3176443 PK04_100298 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P01 compound treatment 1675220.588 -2220000.0 -2.4 1350376.923 -2100000.0 -2.18 -3.2417 -0.9989 3052698 PK04_100299 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P02 compound treatment 3092096.07 -798000.0 -0.87 2939029.126 -511000.0 -0.53 -0.9878 -0.9725 3176634 PK04_100300 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P03 compound treatment 3666442.922 -224000.0 -0.24 3271483.721 -179000.0 -0.19 -0.3031 -0.9912 3174820 PK04_100301 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P04 compound treatment 3480371.56 -410000.0 -0.44 3281009.259 -169000.0 -0.18 -0.4387 -0.9176 3052597 PK04_100302 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P05 compound treatment 3592372.294 -298000.0 -0.32 2990761.062 -459000.0 -0.48 -0.5662 -0.9819 3176270 PK04_100303 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P06 compound treatment 3756763.889 -134000.0 -0.14 3433284.264 -16900.0 -0.02 -0.1149 -0.787 3176677 PK04_100304 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P07 compound treatment 3239821.429 -651000.0 -0.71 3054931.707 -395000.0 -0.41 -0.7893 -0.9669 3176122 PK04_100305 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P08 compound treatment 3148004.484 -742000.0 -0.81 3445028.302 -5160.0 -0.01 -0.573 -0.7118 3052701 PK04_100306 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P09 compound treatment 3143589.52 -747000.0 -0.81 3007762.791 -442000.0 -0.46 -0.8978 -0.9641 3175972 PK04_100307 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P10 compound treatment 2988842.912 -902000.0 -0.98 3121381.356 -329000.0 -0.34 -0.9329 -0.9008 3052830 PK04_100308 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P11 mock treatment 2985485.106 -905000.0 -0.98 2780828.897 -669000.0 -0.7 -1.1858 -0.9858 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P12 mock treatment 2982306.202 -908000.0 -0.98 3054394.495 -396000.0 -0.41 -0.9872 -0.925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P13 compound treatment 3171357.143 -719000.0 -0.78 2964604.743 -486000.0 -0.5 -0.9082 -0.9778 3052541 PK04_100309 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P14 compound treatment 3208787.234 -682000.0 -0.74 2539870.69 -910000.0 -0.95 -1.1917 -0.9925 3052545 PK04_100310 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P15 compound treatment 2880170.543 -1010000.0 -1.1 2923853.571 -526000.0 -0.55 -1.1614 -0.9485 3176381 PK04_100311 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P16 compound treatment 2675977.064 -1210000.0 -1.32 2914114.155 -536000.0 -0.56 -1.3251 -0.9268 3052789 PK04_100312 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P17 compound treatment 2723749.035 -1170000.0 -1.27 2535818.505 -914000.0 -0.95 -1.5665 -0.9901 3052890 PK04_100313 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P18 compound treatment 2656191.729 -1230000.0 -1.34 2662822.742 -787000.0 -0.82 -1.525 -0.9722 3176779 PK04_100314 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P19 compound treatment 2572277.397 -1320000.0 -1.43 2550263.78 -900000.0 -0.94 -1.6721 -0.9789 3052876 PK04_100315 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P20 compound treatment 2552605.691 -1340000.0 -1.45 2787741.667 -662000.0 -0.69 -1.5126 -0.942 3176264 PK04_100316 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P21 compound treatment 2179069.444 -1710000.0 -1.86 2616602.459 -834000.0 -0.87 -1.9248 -0.9399 3052692 PK04_100317 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P22 compound treatment 2287518.644 -1600000.0 -1.74 2462334.532 -988000.0 -1.03 -1.955 -0.9685 3176051 PK04_100318 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P23 compound treatment 2934501.976 -956000.0 -1.04 2327806.452 -1120000.0 -1.17 -1.5578 -0.9983 3052754 PK04_100319 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2100 P24 compound treatment 2300317.568 -1590000.0 -1.72 2335737.452 -1110000.0 -1.16 -2.0382 -0.9813 3176127 PK04_100320 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A01 compound treatment 2444597.61 -506000.0 -0.55 2932705.179 -947000.0 -0.98 -1.0838 -0.9619 3189007 PK04_101001 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A02 compound treatment 2837085.324 -113000.0 -0.12 3354406.375 -525000.0 -0.55 -0.473 -0.8452 3069619 PK04_101002 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A03 compound treatment 2947646.341 -2850.0 0.0 3253056.225 -627000.0 -0.65 -0.4627 -0.7105 3189008 PK04_101003 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A04 compound treatment 2795077.151 -155000.0 -0.17 3403102.564 -477000.0 -0.5 -0.4694 -0.8972 3189009 PK04_101004 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A05 compound treatment 2791699.153 -159000.0 -0.17 3498271.967 -381000.0 -0.4 -0.402 -0.9303 3069620 PK04_101005 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A06 compound treatment 2460785.714 -490000.0 -0.53 3491969.582 -388000.0 -0.4 -0.6604 -0.9907 3189010 PK04_101006 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A07 compound treatment 2761333.333 -189000.0 -0.21 3352772.532 -527000.0 -0.55 -0.5323 -0.9102 3189011 PK04_101007 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A08 compound treatment 2671032.0 -279000.0 -0.3 3161830.827 -718000.0 -0.75 -0.7418 -0.9212 3069621 PK04_101008 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A09 compound treatment 2314753.472 -636000.0 -0.69 3276051.282 -604000.0 -0.63 -0.931 -0.9989 3189120 PK04_101009 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A10 compound treatment 2350201.238 -600000.0 -0.65 3293364.055 -586000.0 -0.61 -0.8911 -0.9995 3069622 PK04_101010 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A11 compound treatment 2620355.872 -330000.0 -0.36 3319538.462 -560000.0 -0.58 -0.6648 -0.9727 3189121 PK04_101011 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A12 compound treatment 2856521.912 -94000.0 -0.1 3444522.936 -435000.0 -0.45 -0.3918 -0.8452 3069678 PK04_101012 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A13 mock treatment 2833838.71 -117000.0 -0.13 3437822.581 -442000.0 -0.46 -0.4142 -0.8695 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A14 mock treatment 2878212.389 -72300.0 -0.08 3676330.275 -203000.0 -0.21 -0.2048 -0.9089 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A15 compound treatment 2547452.297 -403000.0 -0.44 3475956.897 -404000.0 -0.42 -0.6057 -0.9998 3189122 PK04_101013 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A16 compound treatment 2619702.899 -331000.0 -0.36 3731562.5 -148000.0 -0.15 -0.3624 -0.9286 3069679 PK04_101014 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A17 compound treatment 2656451.264 -294000.0 -0.32 3658562.5 -221000.0 -0.23 -0.3879 -0.9871 3189123 PK04_101015 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A18 compound treatment 2786343.396 -164000.0 -0.18 3505465.021 -374000.0 -0.39 -0.4009 -0.9372 3189124 PK04_101016 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A19 compound treatment 2727689.394 -223000.0 -0.24 3731404.167 -148000.0 -0.15 -0.2798 -0.9764 3069680 PK04_101017 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A20 compound treatment 2868043.321 -82500.0 -0.09 3839312.236 -40300.0 -0.04 -0.0928 -0.9403 3189125 PK04_101018 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A21 compound treatment 2609444.444 -341000.0 -0.37 3567748.918 -312000.0 -0.32 -0.4907 -0.9978 3069681 PK04_101019 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A22 compound treatment 3076804.795 126000.0 0.14 3408552.301 -471000.0 -0.49 -0.2494 -0.4905 3189126 PK04_101020 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A23 compound treatment 2987465.517 37000.0 0.04 3789691.983 -89900.0 -0.09 -0.0378 -0.3712 3189127 PK04_101021 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 A24 compound treatment 2570416.961 -380000.0 -0.41 3593471.698 -286000.0 -0.3 -0.5017 -0.9872 3069682 PK04_101022 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B01 compound treatment 2641634.615 -309000.0 -0.33 3277498.339 -602000.0 -0.63 -0.6794 -0.9571 3189128 PK04_101023 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B02 compound treatment 3193977.941 243000.0 0.26 4179921.488 300000.0 0.31 0.4074 0.9965 3189129 PK04_101024 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B03 compound treatment 3154951.613 204000.0 0.22 4097458.515 218000.0 0.23 0.3169 0.9999 3069683 PK04_101025 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B04 compound treatment 3139645.051 189000.0 0.21 4143841.667 264000.0 0.27 0.3392 0.9897 3189130 PK04_101026 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B05 compound treatment 3091220.974 141000.0 0.15 3907941.176 28300.0 0.03 0.1287 0.8282 3069684 PK04_101027 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B06 compound treatment 3052893.773 102000.0 0.11 3883388.0 3770.0 0.0 0.0813 0.7316 3189131 PK04_101028 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B07 compound treatment 2907047.794 -43500.0 -0.05 4263154.15 384000.0 0.4 0.2486 0.6192 3189132 PK04_101029 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B08 compound treatment 2998523.81 48000.0 0.05 3531834.532 -348000.0 -0.36 -0.2188 -0.5991 3069685 PK04_101030 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B09 compound treatment 2893607.774 -56900.0 -0.06 3885995.37 6370.0 0.01 -0.0389 -0.6276 3189133 PK04_101031 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B10 compound treatment 2864668.0 -85800.0 -0.09 4096780.488 217000.0 0.23 0.0938 0.3842 3189129 PK04_101032 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B11 compound treatment 3190549.669 240000.0 0.26 4054773.333 175000.0 0.18 0.3128 0.9847 3189134 PK04_101033 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B12 compound treatment 2885334.615 -65200.0 -0.07 4096213.992 217000.0 0.23 0.1092 0.4629 3069686 PK04_101034 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B13 mock treatment 2819551.44 -131000.0 -0.14 4268779.736 389000.0 0.4 0.1856 0.433 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B14 mock treatment 2753018.587 -197000.0 -0.21 3966935.78 87300.0 0.09 -0.0872 -0.3751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B15 compound treatment 2842279.412 -108000.0 -0.12 4231622.318 352000.0 0.37 0.1757 0.4574 3189135 PK04_101035 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B16 compound treatment 2769725.275 -181000.0 -0.2 4389233.645 510000.0 0.53 0.236 0.4178 3069686 PK04_101036 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B17 compound treatment 2802687.747 -148000.0 -0.16 3724136.201 -155000.0 -0.16 -0.2276 -1.0 3189136 PK04_101037 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B18 compound treatment 2757411.552 -193000.0 -0.21 3890630.705 11000.0 0.01 -0.1399 -0.6675 3069687 PK04_101038 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B19 compound treatment 2843552.632 -107000.0 -0.12 3786029.52 -93600.0 -0.1 -0.1508 -0.9962 3189137 PK04_101039 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B20 compound treatment 2949448.161 -1050.0 0.0 3981038.793 101000.0 0.11 0.0737 0.6994 3069688 PK04_101040 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B21 compound treatment 2804573.585 -146000.0 -0.16 3343080.153 -537000.0 -0.56 -0.5062 -0.8733 3189138 PK04_101041 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B22 compound treatment 2765212.698 -185000.0 -0.2 3951472.34 71800.0 0.07 -0.0892 -0.4164 3189139 PK04_101042 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B23 compound treatment 2447137.5 -503000.0 -0.55 3819649.351 -60000.0 -0.06 -0.43 -0.7828 3069689 PK04_101043 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 B24 compound treatment 2723901.961 -227000.0 -0.25 3573355.731 -306000.0 -0.32 -0.3988 -0.9918 3189140 PK04_101044 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C01 compound treatment 2434089.888 -516000.0 -0.56 3031251.082 -848000.0 -0.88 -1.0195 -0.976 3189247 PK04_101045 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C02 compound treatment 2693868.794 -257000.0 -0.28 3667586.957 -212000.0 -0.22 -0.3526 -0.9933 3069724 PK04_101046 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C03 compound treatment 2878500.0 -72000.0 -0.08 3827321.267 -52300.0 -0.05 -0.0936 -0.9844 3189248 PK04_101047 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C04 compound treatment 3024325.301 73800.0 0.08 3932525.862 52900.0 0.05 0.0955 0.9832 3189249 PK04_101048 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C05 compound treatment 2648437.063 -302000.0 -0.33 3256666.667 -623000.0 -0.65 -0.6894 -0.9501 3069725 PK04_101049 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C06 compound treatment 2235206.897 -715000.0 -0.78 3144866.667 -735000.0 -0.76 -1.0884 -1.0 3189250 PK04_101050 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C07 compound treatment 2648904.594 -302000.0 -0.33 3667041.825 -213000.0 -0.22 -0.3875 -0.9818 3069726 PK04_101051 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C08 compound treatment 2365632.075 -585000.0 -0.63 2960231.373 -919000.0 -0.96 -1.1241 -0.9802 3189251 PK04_101052 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C09 compound treatment 2245135.762 -705000.0 -0.76 3346645.631 -533000.0 -0.55 -0.9325 -0.9875 3189252 PK04_101053 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C10 compound treatment 2608353.612 -342000.0 -0.37 3762104.712 -118000.0 -0.12 -0.3487 -0.8928 3069727 PK04_101054 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C11 mock treatment 2528535.714 -422000.0 -0.46 3516309.091 -363000.0 -0.38 -0.5905 -0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C12 mock treatment 2779631.229 -171000.0 -0.19 3318386.454 -561000.0 -0.58 -0.5435 -0.888 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C13 compound treatment 2725843.866 -225000.0 -0.24 3528834.711 -351000.0 -0.36 -0.4301 -0.9808 3189253 PK04_101055 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C14 compound treatment 2601248.408 -349000.0 -0.38 3504436.782 -375000.0 -0.39 -0.5435 -0.9999 3069728 PK04_101056 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C15 mock treatment 2576958.904 -374000.0 -0.41 3355075.758 -525000.0 -0.55 -0.6719 -0.9893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C16 mock treatment 2643636.0 -307000.0 -0.33 3566063.91 -314000.0 -0.33 -0.4657 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C17 compound treatment 2652470.356 -298000.0 -0.32 3331759.542 -548000.0 -0.57 -0.6312 -0.964 3189254 PK04_101057 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C18 compound treatment 2848564.0 -102000.0 -0.11 3431232.456 -448000.0 -0.47 -0.4077 -0.8512 3189255 PK04_101058 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C19 compound treatment 2623321.569 -327000.0 -0.35 3262296.029 -617000.0 -0.64 -0.7046 -0.961 3069729 PK04_101059 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C20 compound treatment 2818589.147 -132000.0 -0.14 3528863.248 -351000.0 -0.36 -0.3589 -0.9165 3189256 PK04_101060 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C21 compound treatment 2703908.367 -247000.0 -0.27 3335635.088 -544000.0 -0.57 -0.5889 -0.9415 3189257 PK04_101061 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C22 compound treatment 2683313.793 -267000.0 -0.29 3264129.496 -615000.0 -0.64 -0.6572 -0.9358 3069730 PK04_101062 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C23 compound treatment 2585450.172 -365000.0 -0.4 3363284.519 -516000.0 -0.54 -0.6594 -0.9888 3189258 PK04_101063 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 C24 compound treatment 3648155.102 698000.0 0.76 3224927.66 -655000.0 -0.68 0.0537 0.0528 3069731 PK04_101064 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D01 compound treatment 2349975.709 -601000.0 -0.65 2840961.832 -1040000.0 -1.08 -1.2238 -0.9707 3189259 PK04_101065 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D02 compound treatment 2772842.742 -178000.0 -0.19 3794252.212 -85400.0 -0.09 -0.199 -0.9381 3069687 PK04_101066 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D03 compound treatment 2750065.134 -200000.0 -0.22 3503846.154 -376000.0 -0.39 -0.4299 -0.9617 3189260 PK04_101067 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D04 compound treatment 2957878.229 7380.0 0.01 3810792.952 -68800.0 -0.07 -0.0449 -0.6241 3069688 PK04_101068 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D05 compound treatment 2733261.168 -217000.0 -0.24 3426802.013 -453000.0 -0.47 -0.4994 -0.9488 3069732 PK04_101069 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D06 compound treatment 2862386.029 -88100.0 -0.1 3602919.231 -277000.0 -0.29 -0.2709 -0.894 3189139 PK04_101070 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D07 compound treatment 2634303.226 -316000.0 -0.34 3574465.909 -305000.0 -0.32 -0.4667 -0.9992 3189261 PK04_101071 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D08 compound treatment 2559221.865 -391000.0 -0.42 3596375.566 -283000.0 -0.29 -0.5082 -0.9841 3069733 PK04_101072 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D09 compound treatment 2588510.511 -362000.0 -0.39 3300239.669 -579000.0 -0.6 -0.7034 -0.9785 3189262 PK04_101073 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D10 compound treatment 2551358.974 -399000.0 -0.43 3138565.217 -741000.0 -0.77 -0.8507 -0.9628 3069733 PK04_101074 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D11 mock treatment 2495465.986 -455000.0 -0.49 3637303.738 -242000.0 -0.25 -0.527 -0.9513 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D12 mock treatment 2674555.556 -276000.0 -0.3 4075567.568 196000.0 0.2 -0.0675 -0.1866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D13 compound treatment 2400778.947 -550000.0 -0.6 3650210.046 -229000.0 -0.24 -0.5901 -0.9192 3189263 PK04_101075 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D14 compound treatment 2372640.127 -578000.0 -0.63 3210351.254 -669000.0 -0.7 -0.9349 -0.9986 3069734 PK04_101076 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D15 mock treatment 2525732.523 -425000.0 -0.46 3470804.348 -409000.0 -0.42 -0.6261 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D16 mock treatment 2680080.139 -270000.0 -0.29 3651143.911 -228000.0 -0.24 -0.3753 -0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D17 compound treatment 2525197.842 -425000.0 -0.46 2914947.531 -965000.0 -1.0 -1.0351 -0.9379 3189264 PK04_101077 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D18 compound treatment 2973719.557 23200.0 0.03 3580812.766 -299000.0 -0.31 -0.2018 -0.6477 3069734 PK04_101078 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D19 compound treatment 2739936.842 -211000.0 -0.23 3177097.744 -703000.0 -0.73 -0.6778 -0.8859 3069735 PK04_101079 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D20 compound treatment 2783872.951 -167000.0 -0.18 3424457.692 -455000.0 -0.47 -0.4623 -0.9128 3189265 PK04_101080 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D21 compound treatment 2799992.982 -151000.0 -0.16 3180411.111 -699000.0 -0.73 -0.6293 -0.8448 3189266 PK04_101081 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D22 compound treatment 3251040.956 301000.0 0.33 3578734.043 -301000.0 -0.31 0.0093 0.0205 3189265 PK04_101082 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D23 compound treatment 2894044.828 -56500.0 -0.06 3677629.167 -202000.0 -0.21 -0.1917 -0.8768 3069736 PK04_101083 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 D24 compound treatment 2515616.883 -435000.0 -0.47 3000700.855 -879000.0 -0.91 -0.9794 -0.9527 3189267 PK04_101084 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E01 mock treatment 2762900.433 -188000.0 -0.2 3544649.123 -335000.0 -0.35 -0.39 -0.9672 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E02 mock treatment 2965384.083 14900.0 0.02 3829851.695 -49800.0 -0.05 -0.0252 -0.4644 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E03 compound treatment 3091396.887 141000.0 0.15 3842626.415 -37000.0 -0.04 0.0808 0.5131 3189373 PK04_101085 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E04 compound treatment 3211338.346 261000.0 0.28 4044585.366 165000.0 0.17 0.3212 0.9712 3189374 PK04_101086 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E05 compound treatment 2928568.266 -21900.0 -0.02 3808569.811 -71100.0 -0.07 -0.069 -0.8898 3069761 PK04_101087 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E06 compound treatment 3001966.165 51500.0 0.06 3772040.146 -108000.0 -0.11 -0.0396 -0.317 3189375 PK04_101088 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E07 compound treatment 2923830.45 -26700.0 -0.03 3938884.477 59300.0 0.06 0.0231 0.3396 3189376 PK04_101089 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E08 compound treatment 2995375.427 44900.0 0.05 3777272.727 -102000.0 -0.11 -0.0408 -0.3489 3069762 PK04_101090 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E09 mock treatment 2727704.626 -223000.0 -0.24 3811956.349 -67700.0 -0.07 -0.2205 -0.8766 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E10 mock treatment 2941381.944 -9120.0 -0.01 3566541.667 -313000.0 -0.33 -0.2371 -0.7283 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E11 compound treatment 2921097.826 -29400.0 -0.03 3837727.273 -41900.0 -0.04 -0.0533 -0.9882 3189377 PK04_101091 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E12 compound treatment 2987930.07 37400.0 0.04 3852159.259 -27500.0 -0.03 0.0085 0.1716 3069763 PK04_101092 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E13 compound treatment 2900055.556 -50400.0 -0.05 4099016.667 219000.0 0.23 0.1226 0.5227 3189378 PK04_101093 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E14 compound treatment 3093027.668 143000.0 0.15 3601440.559 -278000.0 -0.29 -0.0952 -0.2903 3189379 PK04_101094 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E15 compound treatment 3065571.97 115000.0 0.12 3977685.95 98100.0 0.1 0.1603 0.995 3069764 PK04_101095 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E16 compound treatment 3287334.483 337000.0 0.37 4259572.549 380000.0 0.39 0.5375 0.9992 3189380 PK04_101096 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E17 mock treatment 3299644.195 349000.0 0.38 4353412.0 474000.0 0.49 0.6159 0.9916 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E18 mock treatment 3063323.232 113000.0 0.12 4104467.249 225000.0 0.23 0.2518 0.9544 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E19 compound treatment 3342714.859 392000.0 0.43 4327252.066 448000.0 0.47 0.6297 0.999 3069765 PK04_101097 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E20 compound treatment 3571736.641 621000.0 0.67 4346596.413 467000.0 0.49 0.8195 0.9871 3189381 PK04_101098 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E21 compound treatment 3526057.554 576000.0 0.62 4036621.739 157000.0 0.16 0.5567 0.863 3189382 PK04_101099 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E22 compound treatment 3111480.687 161000.0 0.17 4257486.056 378000.0 0.39 0.4011 0.9333 3069730 PK04_101100 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E23 compound treatment 2935996.183 -14500.0 -0.02 4027652.0 148000.0 0.15 0.0977 0.6316 3069766 PK04_101101 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 E24 compound treatment 3069974.359 119000.0 0.13 3944563.981 64900.0 0.07 0.1393 0.9538 3069731 PK04_101102 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F01 mock treatment 2552668.067 -398000.0 -0.43 3748455.814 -131000.0 -0.14 -0.4014 -0.8873 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F02 mock treatment 2798540.351 -152000.0 -0.16 3873716.738 -5910.0 -0.01 -0.1208 -0.7329 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F03 compound treatment 2857083.045 -93400.0 -0.1 3864462.451 -15200.0 -0.02 -0.0828 -0.8074 3189383 PK04_101103 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F04 compound treatment 2828147.26 -122000.0 -0.13 3810061.983 -69600.0 -0.07 -0.1449 -0.9593 3189267 PK04_101104 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F05 compound treatment 2683158.451 -267000.0 -0.29 3801416.988 -78200.0 -0.08 -0.2624 -0.8718 3189384 PK04_101105 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F06 compound treatment 2618929.078 -332000.0 -0.36 3992322.034 113000.0 0.12 -0.1714 -0.4533 3069767 PK04_101106 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F07 compound treatment 2843120.805 -107000.0 -0.12 3931586.873 52000.0 0.05 -0.0441 -0.3439 3189385 PK04_101107 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F08 compound treatment 2856081.967 -94400.0 -0.1 3716690.566 -163000.0 -0.17 -0.1921 -0.9709 3069767 PK04_101108 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F09 mock treatment 2639211.806 -311000.0 -0.34 3842929.368 -36700.0 -0.04 -0.2656 -0.782 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F10 mock treatment 2665479.592 -285000.0 -0.31 3545777.372 -334000.0 -0.35 -0.4639 -0.9983 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F11 compound treatment 2785173.01 -165000.0 -0.18 3588218.543 -291000.0 -0.3 -0.3409 -0.9687 3069768 PK04_101109 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F12 compound treatment 2586861.842 -364000.0 -0.39 3534014.286 -346000.0 -0.36 -0.5328 -0.9989 3189386 PK04_101110 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F13 compound treatment 2486689.32 -464000.0 -0.5 3379750.903 -500000.0 -0.52 -0.723 -0.9999 3189387 PK04_101111 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F14 compound treatment 2717304.498 -233000.0 -0.25 3573756.667 -306000.0 -0.32 -0.4036 -0.9936 3189386 PK04_101112 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F15 compound treatment 2671804.27 -279000.0 -0.3 3842260.684 -37400.0 -0.04 -0.2411 -0.7915 3069769 PK04_101113 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F16 compound treatment 2821798.658 -129000.0 -0.14 3745790.698 -134000.0 -0.14 -0.197 -1.0 3189388 PK04_101114 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F17 mock treatment 2717929.078 -233000.0 -0.25 3775333.333 -104000.0 -0.11 -0.255 -0.9289 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F18 mock treatment 2822421.233 -128000.0 -0.14 3796060.0 -83600.0 -0.09 -0.1596 -0.9745 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F19 compound treatment 2807047.97 -143000.0 -0.16 3995781.022 116000.0 0.12 -0.0246 -0.125 3189389 PK04_101115 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F20 compound treatment 2860832.237 -89700.0 -0.1 3927236.162 47600.0 0.05 -0.0338 -0.3094 3189388 PK04_101116 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F21 compound treatment 2954061.538 3560.0 0.0 3579321.429 -300000.0 -0.31 -0.218 -0.6983 3069770 PK04_101117 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F22 compound treatment 3122632.035 172000.0 0.19 3557348.754 -322000.0 -0.33 -0.1049 -0.2735 3189390 PK04_101118 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F23 compound treatment 2784676.364 -166000.0 -0.18 3647345.345 -232000.0 -0.24 -0.2979 -0.9895 3189391 PK04_101119 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 F24 compound treatment 2908900.0 -41600.0 -0.05 3597735.294 -282000.0 -0.29 -0.2391 -0.8065 3189390 PK04_101120 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G01 compound treatment 2711548.736 -239000.0 -0.26 3833985.646 -45600.0 -0.05 -0.2167 -0.8229 3189392 PK04_101121 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G02 compound treatment 2685376.712 -265000.0 -0.29 3608721.116 -271000.0 -0.28 -0.4024 -0.9999 3189374 PK04_101122 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G03 mock treatment 2807690.476 -143000.0 -0.15 3613841.328 -266000.0 -0.28 -0.3048 -0.9626 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G04 mock treatment 2931531.469 -19000.0 -0.02 3653641.732 -226000.0 -0.23 -0.1806 -0.7661 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G05 compound treatment 2838728.873 -112000.0 -0.12 3619992.095 -260000.0 -0.27 -0.2765 -0.9347 3069794 PK04_101123 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G06 compound treatment 2870826.531 -79700.0 -0.09 3904532.468 24900.0 0.03 -0.0428 -0.4743 3189375 PK04_101124 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G07 compound treatment 2730665.635 -220000.0 -0.24 3707661.417 -172000.0 -0.18 -0.2949 -0.9899 3189393 PK04_101125 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G08 compound treatment 2841615.12 -109000.0 -0.12 3714808.725 -165000.0 -0.17 -0.2046 -0.9835 3069762 PK04_101126 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G09 compound treatment 2648077.966 -302000.0 -0.33 3557949.275 -322000.0 -0.33 -0.4683 -1.0 3069795 PK04_101127 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G10 compound treatment 2599646.84 -351000.0 -0.38 3572746.479 -307000.0 -0.32 -0.4945 -0.9962 3069763 PK04_101128 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G11 compound treatment 2899444.444 -51100.0 -0.06 3614224.138 -265000.0 -0.28 -0.2342 -0.8324 3189504 PK04_101129 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G12 compound treatment 2838675.497 -112000.0 -0.12 3875704.861 -3920.0 0.0 -0.0886 -0.7304 3189379 PK04_101130 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G13 compound treatment 2889768.683 -60700.0 -0.07 3420543.396 -459000.0 -0.48 -0.384 -0.7971 3069796 PK04_101131 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G14 compound treatment 3167949.458 217000.0 0.24 4189146.067 310000.0 0.32 0.3942 0.9883 3189380 PK04_101132 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G15 compound treatment 2984290.429 33800.0 0.04 3982832.727 103000.0 0.11 0.1018 0.8977 3189505 PK04_101133 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G16 compound treatment 3182986.755 232000.0 0.25 4111154.882 232000.0 0.24 0.3484 0.9997 3189381 PK04_101134 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G17 compound treatment 3254203.333 304000.0 0.33 4206684.211 327000.0 0.34 0.4732 0.9999 3189506 PK04_101135 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G18 compound treatment 3262823.741 312000.0 0.34 4545995.763 666000.0 0.69 0.7292 0.9458 3069797 PK04_101136 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G19 mock treatment 3291973.684 341000.0 0.37 4374058.366 494000.0 0.51 0.6252 0.9871 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G20 mock treatment 3615329.588 665000.0 0.72 4627627.803 748000.0 0.78 1.0595 0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G21 compound treatment 3441404.58 491000.0 0.53 4185466.387 306000.0 0.32 0.6012 0.9696 3189507 PK04_101137 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G22 compound treatment 3583042.017 633000.0 0.69 4165532.52 286000.0 0.3 0.6951 0.93 3189508 PK04_101138 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G23 compound treatment 3373263.514 423000.0 0.46 4395716.216 516000.0 0.54 0.7034 0.9969 3069798 PK04_101139 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 G24 compound treatment 2995730.233 45200.0 0.05 4348977.477 469000.0 0.49 0.3796 0.7743 3189509 PK04_101140 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H01 compound treatment 2567634.058 -383000.0 -0.42 3641695.067 -238000.0 -0.25 -0.4684 -0.9694 3069799 PK04_101141 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H02 compound treatment 2883083.333 -67400.0 -0.07 3969699.219 90100.0 0.09 0.0145 0.1222 3189510 PK04_101142 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H03 mock treatment 2824242.188 -126000.0 -0.14 4238791.837 359000.0 0.37 0.1672 0.4204 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H04 mock treatment 2929777.778 -20700.0 -0.02 4167386.029 288000.0 0.3 0.1956 0.6522 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H05 compound treatment 2730476.19 -220000.0 -0.24 3918661.597 39000.0 0.04 -0.14 -0.5785 3189511 PK04_101143 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H06 compound treatment 2731853.333 -219000.0 -0.24 3521859.779 -358000.0 -0.37 -0.4306 -0.9764 3069800 PK04_101144 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H07 compound treatment 2796900.929 -154000.0 -0.17 3610919.58 -269000.0 -0.28 -0.3153 -0.9695 3189512 PK04_101145 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H08 compound treatment 2722554.422 -228000.0 -0.25 3562939.286 -317000.0 -0.33 -0.4075 -0.99 3069800 PK04_101146 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H09 compound treatment 2985060.811 34600.0 0.04 3790044.828 -89600.0 -0.09 -0.0393 -0.392 3189513 PK04_101147 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H10 compound treatment 2972752.475 22300.0 0.02 3680168.224 -199000.0 -0.21 -0.1295 -0.6206 3189510 PK04_101148 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H11 compound treatment 2656191.781 -294000.0 -0.32 3309274.648 -570000.0 -0.59 -0.6448 -0.9578 3069801 PK04_101149 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H12 compound treatment 2592156.863 -358000.0 -0.39 3505547.038 -374000.0 -0.39 -0.5497 -1.0 3189514 PK04_101150 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H13 compound treatment 2648007.273 -302000.0 -0.33 3226838.384 -653000.0 -0.68 -0.7117 -0.9444 3189515 PK04_101151 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H14 compound treatment 2759435.088 -191000.0 -0.21 3590658.088 -289000.0 -0.3 -0.3589 -0.9836 3189514 PK04_101152 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H15 compound treatment 2722278.481 -228000.0 -0.25 3631165.584 -248000.0 -0.26 -0.3576 -0.9998 3069802 PK04_101153 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H16 compound treatment 2712401.384 -238000.0 -0.26 3497647.059 -382000.0 -0.4 -0.4633 -0.9783 3189516 PK04_101154 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H17 compound treatment 2787511.628 -163000.0 -0.18 3772435.252 -107000.0 -0.11 -0.2037 -0.9753 3189517 PK04_101155 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H18 compound treatment 2936222.222 -14300.0 -0.02 3741892.116 -138000.0 -0.14 -0.1122 -0.779 3189516 PK04_101156 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H19 mock treatment 2874425.676 -76100.0 -0.08 3651930.147 -228000.0 -0.24 -0.2257 -0.9004 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H20 mock treatment 3047906.574 97400.0 0.11 3829048.0 -50600.0 -0.05 0.0375 0.318 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H21 compound treatment 2906744.681 -43800.0 -0.05 3697698.305 -182000.0 -0.19 -0.1673 -0.8579 3069803 PK04_101157 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H22 compound treatment 2844206.897 -106000.0 -0.12 3707147.465 -172000.0 -0.18 -0.2083 -0.9772 3189518 PK04_101158 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H23 compound treatment 2940425.0 -10100.0 -0.01 4037379.421 158000.0 0.16 0.1082 0.6585 3069804 PK04_101159 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 H24 compound treatment 3084205.128 134000.0 0.14 4433625.641 554000.0 0.58 0.5097 0.8583 3189518 PK04_101160 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I01 compound treatment 2694613.24 -256000.0 -0.28 3327953.704 -552000.0 -0.57 -0.6016 -0.9445 3189519 PK04_101161 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I02 compound treatment 2775587.413 -175000.0 -0.19 3751692.623 -128000.0 -0.13 -0.2281 -0.9849 3189520 PK04_101162 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I03 compound treatment 2718601.351 -232000.0 -0.25 3238989.51 -641000.0 -0.67 -0.6486 -0.9113 3069839 PK04_101163 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I04 compound treatment 2705496.855 -245000.0 -0.27 3569034.483 -311000.0 -0.32 -0.4161 -0.9953 3189521 PK04_101164 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I05 mock treatment 2711965.517 -239000.0 -0.26 3620323.232 -259000.0 -0.27 -0.3735 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I06 mock treatment 2653163.462 -297000.0 -0.32 3383039.007 -497000.0 -0.52 -0.5929 -0.9743 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I07 compound treatment 2820516.892 -130000.0 -0.14 3273692.58 -606000.0 -0.63 -0.545 -0.8445 3069840 PK04_101165 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I08 compound treatment 2704066.445 -246000.0 -0.27 3129108.911 -751000.0 -0.78 -0.7405 -0.8981 3189522 PK04_101166 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I09 compound treatment 2603840.678 -347000.0 -0.38 3240870.722 -639000.0 -0.66 -0.7352 -0.9637 3189523 PK04_101167 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I10 compound treatment 2598040.404 -352000.0 -0.38 3132749.141 -747000.0 -0.78 -0.8192 -0.9467 3069841 PK04_101168 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I11 compound treatment 2738211.073 -212000.0 -0.23 3392809.365 -487000.0 -0.51 -0.5206 -0.9364 3189524 PK04_101169 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I12 compound treatment 2620067.114 -330000.0 -0.36 3446845.659 -433000.0 -0.45 -0.5714 -0.9936 3189640 PK04_101170 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I13 compound treatment 2891838.488 -58700.0 -0.06 3578543.333 -301000.0 -0.31 -0.2663 -0.8338 3069842 PK04_101171 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I14 compound treatment 2948848.485 -1650.0 0.0 3316588.424 -563000.0 -0.59 -0.4151 -0.7093 3189641 PK04_101172 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I15 compound treatment 2774139.073 -176000.0 -0.19 3375533.981 -504000.0 -0.52 -0.5057 -0.9067 3069843 PK04_101173 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I16 compound treatment 2865547.619 -85000.0 -0.09 3712756.098 -167000.0 -0.17 -0.1878 -0.9562 3189642 PK04_101174 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I17 compound treatment 2902880.952 -47600.0 -0.05 3618090.909 -262000.0 -0.27 -0.2287 -0.8266 3069844 PK04_101175 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I18 compound treatment 2767423.913 -183000.0 -0.2 3806889.764 -72700.0 -0.08 -0.1938 -0.9125 3189643 PK04_101176 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I19 compound treatment 3000824.627 50300.0 0.05 3988810.127 109000.0 0.11 0.1188 0.9437 3069845 PK04_101177 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I20 compound treatment 2970164.751 19700.0 0.02 4154643.123 275000.0 0.29 0.2172 0.7577 3189644 PK04_101178 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I21 mock treatment 3095529.197 145000.0 0.16 4118128.099 239000.0 0.25 0.2865 0.9759 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I22 mock treatment 3185759.259 235000.0 0.26 4177040.0 297000.0 0.31 0.399 0.9954 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I23 compound treatment 3076186.77 126000.0 0.14 4353885.0 474000.0 0.49 0.4449 0.87 3189645 PK04_101179 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 I24 compound treatment 2940064.378 -10400.0 -0.01 4032995.0 153000.0 0.16 0.1047 0.6553 3069846 PK04_101180 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J01 compound treatment 3219332.237 269000.0 0.29 4021587.983 142000.0 0.15 0.3105 0.9502 3189646 PK04_101181 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J02 compound treatment 2854335.878 -96200.0 -0.1 4055270.742 176000.0 0.18 0.0554 0.2634 3189647 PK04_101182 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J03 compound treatment 2943563.177 -6940.0 -0.01 4157728.745 278000.0 0.29 0.1991 0.6885 3069847 PK04_101183 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J04 compound treatment 2748680.556 -202000.0 -0.22 3958197.581 78600.0 0.08 -0.097 -0.4152 3189647 PK04_101184 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J05 mock treatment 2690517.35 -260000.0 -0.28 3733085.714 -147000.0 -0.15 -0.307 -0.9582 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J06 mock treatment 2917087.413 -33400.0 -0.04 3548785.714 -331000.0 -0.34 -0.2688 -0.7773 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J07 compound treatment 2718284.133 -232000.0 -0.25 3596747.17 -283000.0 -0.29 -0.3859 -0.997 3189648 PK04_101185 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J08 compound treatment 2625234.727 -325000.0 -0.35 3451859.155 -428000.0 -0.44 -0.5638 -0.9934 3189649 PK04_101186 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J09 compound treatment 2819873.016 -131000.0 -0.14 3431306.122 -448000.0 -0.47 -0.4297 -0.8822 3069848 PK04_101187 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J10 compound treatment 2757008.929 -193000.0 -0.21 3591868.243 -288000.0 -0.3 -0.3598 -0.9849 3189649 PK04_101188 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J11 compound treatment 2849448.171 -101000.0 -0.11 3452097.087 -428000.0 -0.44 -0.3917 -0.8558 3189650 PK04_101189 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J12 compound treatment 2699240.803 -251000.0 -0.27 3511581.315 -368000.0 -0.38 -0.4631 -0.9862 3189651 PK04_101190 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J13 compound treatment 2761009.554 -189000.0 -0.21 3563916.376 -316000.0 -0.33 -0.3773 -0.9746 3069849 PK04_101191 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J14 compound treatment 2666143.357 -284000.0 -0.31 3469702.381 -410000.0 -0.43 -0.5193 -0.9874 3189651 PK04_101192 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J15 compound treatment 2880203.509 -70300.0 -0.08 3430927.336 -449000.0 -0.47 -0.3837 -0.8119 3189652 PK04_101193 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J16 compound treatment 2787420.875 -163000.0 -0.18 3440944.625 -439000.0 -0.46 -0.4474 -0.9149 3069850 PK04_101194 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J17 compound treatment 2752638.796 -198000.0 -0.21 3423420.732 -456000.0 -0.47 -0.487 -0.9357 3189653 PK04_101195 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J18 compound treatment 2928269.737 -22200.0 -0.02 3307088.235 -573000.0 -0.6 -0.4378 -0.7351 3069850 PK04_101196 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J19 compound treatment 2722320.755 -228000.0 -0.25 3673104.377 -207000.0 -0.21 -0.3267 -0.9975 3189654 PK04_101197 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J20 compound treatment 2736844.961 -214000.0 -0.23 3472269.231 -407000.0 -0.42 -0.4632 -0.9597 3069851 PK04_101198 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J21 mock treatment 2998817.881 48300.0 0.05 3637830.325 -242000.0 -0.25 -0.1407 -0.5479 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J22 mock treatment 2868561.837 -81900.0 -0.09 3690889.796 -189000.0 -0.2 -0.2015 -0.9358 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J23 compound treatment 3058489.96 108000.0 0.12 3964412.955 84800.0 0.09 0.1451 0.9902 3189655 PK04_101199 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 J24 compound treatment 2868414.063 -82100.0 -0.09 3846744.939 -32900.0 -0.03 -0.0871 -0.9136 3069851 PK04_101200 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K01 compound treatment 2647725.49 -303000.0 -0.33 4020792.531 141000.0 0.15 -0.1284 -0.357 3189656 PK04_101201 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K02 compound treatment 3116844.523 166000.0 0.18 4273762.5 394000.0 0.41 0.4172 0.9321 3189657 PK04_101202 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K03 compound treatment 3051866.197 101000.0 0.11 3859543.726 -20100.0 -0.02 0.063 0.5628 3069890 PK04_101203 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K04 compound treatment 3100547.468 150000.0 0.16 3745162.791 -134000.0 -0.14 0.0162 0.0756 3189658 PK04_101204 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K05 compound treatment 2873335.548 -77200.0 -0.08 3801157.534 -78500.0 -0.08 -0.1168 -0.9999 3069891 PK04_101205 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K06 compound treatment 3309120.401 359000.0 0.39 4050675.958 171000.0 0.18 0.4007 0.9371 3189659 PK04_101206 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K07 mock treatment 3139880.282 189000.0 0.21 3685628.931 -194000.0 -0.2 0.0026 0.0091 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K08 mock treatment 3299572.289 349000.0 0.38 4011856.631 132000.0 0.14 0.3648 0.906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K09 compound treatment 3149832.317 199000.0 0.22 3828907.121 -50700.0 -0.05 0.1156 0.5194 3187684 PK04_101207 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K10 compound treatment 3315021.201 365000.0 0.4 4020277.154 141000.0 0.15 0.3829 0.9085 3069892 PK04_101208 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K11 compound treatment 3065437.086 115000.0 0.12 3807250.0 -72400.0 -0.08 0.0349 0.24 3187685 PK04_101209 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K12 compound treatment 3263414.791 313000.0 0.34 4114870.175 235000.0 0.24 0.4128 0.9871 3187686 PK04_101210 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K13 compound treatment 3266945.392 316000.0 0.34 3969105.59 89500.0 0.09 0.3084 0.8675 3069893 PK04_101211 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K14 compound treatment 3125966.997 175000.0 0.19 4054927.586 175000.0 0.18 0.2634 0.9998 3187687 PK04_101212 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K15 mock treatment 3592565.789 642000.0 0.7 4093740.157 214000.0 0.22 0.6496 0.8888 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K16 mock treatment 3466720.755 516000.0 0.56 4062513.605 183000.0 0.19 0.5302 0.8969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K17 compound treatment 3431617.45 481000.0 0.52 4405546.624 526000.0 0.55 0.7554 0.9997 3069894 PK04_101213 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K18 compound treatment 3408137.38 458000.0 0.5 4649967.273 770000.0 0.8 0.9171 0.9735 3187688 PK04_101214 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K19 compound treatment 3325923.664 375000.0 0.41 4389253.906 510000.0 0.53 0.6624 0.9915 3069895 PK04_101215 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K20 compound treatment 3382176.955 432000.0 0.47 4538430.108 659000.0 0.68 0.8152 0.9828 3187689 PK04_101216 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K21 compound treatment 3455776.667 505000.0 0.55 4376597.902 497000.0 0.52 0.7527 0.9996 3187690 PK04_101217 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K22 compound treatment 3624822.222 674000.0 0.73 4945916.318 1070000.0 1.11 1.3007 0.9796 3069896 PK04_101218 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K23 mock treatment 3747343.511 797000.0 0.86 4949505.792 1070000.0 1.11 1.3973 0.9922 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 K24 mock treatment 3603083.721 653000.0 0.71 4788730.088 909000.0 0.94 1.1685 0.9898 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L01 compound treatment 3120090.129 170000.0 0.18 4371658.537 492000.0 0.51 0.4917 0.9046 3187691 PK04_101219 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L02 compound treatment 3560253.788 610000.0 0.66 4774745.763 895000.0 0.93 1.1254 0.986 3187692 PK04_101220 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L03 compound treatment 3580750.0 630000.0 0.68 4776612.403 897000.0 0.93 1.1425 0.9883 3069897 PK04_101221 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L04 compound treatment 3546825.175 596000.0 0.65 4684056.911 804000.0 0.84 1.0484 0.9919 3187693 PK04_101222 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L05 compound treatment 3276709.677 326000.0 0.35 4379901.961 500000.0 0.52 0.6178 0.9824 3187694 PK04_101223 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L06 compound treatment 3350711.475 400000.0 0.43 4713306.452 834000.0 0.87 0.9196 0.9489 3187693 PK04_101224 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L07 mock treatment 3110874.126 160000.0 0.17 4240363.946 361000.0 0.37 0.3881 0.939 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L08 mock treatment 3412112.76 462000.0 0.5 4223197.232 344000.0 0.36 0.6064 0.9863 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L09 compound treatment 3268808.219 318000.0 0.35 4471715.415 592000.0 0.62 0.6792 0.9626 3069898 PK04_101225 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L10 compound treatment 3567666.667 617000.0 0.67 4288776.271 409000.0 0.43 0.7739 0.9761 3187692 PK04_101226 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L11 compound treatment 3259913.357 309000.0 0.34 4236528.571 357000.0 0.37 0.4995 0.9987 3187695 PK04_101227 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L12 compound treatment 3314035.211 364000.0 0.39 4086314.642 207000.0 0.21 0.4306 0.9593 3187696 PK04_101228 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L13 compound treatment 3344845.659 394000.0 0.43 4281336.842 402000.0 0.42 0.5976 0.9999 3069899 PK04_101229 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L14 compound treatment 3585587.838 635000.0 0.69 4327185.053 448000.0 0.47 0.8159 0.9818 3187696 PK04_101230 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L15 mock treatment 3691229.091 741000.0 0.8 4166799.257 287000.0 0.3 0.779 0.9091 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L16 mock treatment 3514765.677 564000.0 0.61 4260031.546 380000.0 0.4 0.7122 0.9777 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L17 compound treatment 3467422.951 517000.0 0.56 4218390.323 339000.0 0.35 0.6453 0.9749 3187697 PK04_101231 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L18 compound treatment 3327313.793 377000.0 0.41 4330695.313 451000.0 0.47 0.6204 0.9976 3187698 PK04_101232 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L19 compound treatment 3453871.324 503000.0 0.55 4399021.583 519000.0 0.54 0.7677 1.0 3069900 PK04_101233 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L20 compound treatment 3588257.053 638000.0 0.69 4422673.913 543000.0 0.56 0.8881 0.9949 3187698 PK04_101234 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L21 compound treatment 3515127.536 565000.0 0.61 4089174.216 210000.0 0.22 0.5869 0.9032 3187699 PK04_101235 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L22 compound treatment 3393770.968 443000.0 0.48 3934813.149 55200.0 0.06 0.3804 0.7859 3187700 PK04_101236 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L23 mock treatment 3215057.432 265000.0 0.29 4249201.581 370000.0 0.38 0.4745 0.9897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 L24 mock treatment 3291855.319 341000.0 0.37 4330454.955 451000.0 0.47 0.5931 0.9932 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M01 compound treatment 2348214.286 -602000.0 -0.65 3085343.096 -794000.0 -0.83 -1.0455 -0.9933 3187701 PK04_101237 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M02 compound treatment 2549649.635 -401000.0 -0.43 3642202.703 -237000.0 -0.25 -0.4818 -0.964 3069926 PK04_101238 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M03 compound treatment 2613292.517 -337000.0 -0.37 3219615.385 -660000.0 -0.69 -0.7436 -0.9566 3187702 PK04_101239 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M04 compound treatment 2405813.725 -545000.0 -0.59 3054140.893 -825000.0 -0.86 -1.0243 -0.9834 3069927 PK04_101240 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M05 compound treatment 2589992.565 -361000.0 -0.39 3127184.211 -752000.0 -0.78 -0.8294 -0.9486 3187703 PK04_101241 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M06 compound treatment 2577112.583 -373000.0 -0.4 3400194.719 -479000.0 -0.5 -0.6386 -0.9947 3187824 PK04_101242 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M07 compound treatment 2377297.468 -573000.0 -0.62 3118360.0 -761000.0 -0.79 -0.999 -0.9929 3069928 PK04_101243 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M08 compound treatment 2664761.29 -286000.0 -0.31 3256503.759 -623000.0 -0.65 -0.6771 -0.943 3187825 PK04_101244 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M09 mock treatment 2490847.403 -460000.0 -0.5 3205628.378 -674000.0 -0.7 -0.8478 -0.9861 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M10 mock treatment 2824790.85 -126000.0 -0.14 3099492.355 -780000.0 -0.81 -0.6698 -0.8145 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M11 compound treatment 2675595.238 -275000.0 -0.3 3187707.792 -692000.0 -0.72 -0.7193 -0.924 3187826 PK04_101245 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M12 compound treatment 2772319.298 -178000.0 -0.19 3137069.079 -743000.0 -0.77 -0.6824 -0.8576 3069929 PK04_101246 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M13 mock treatment 2893854.962 -56600.0 -0.06 3617727.273 -262000.0 -0.27 -0.2359 -0.8454 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M14 mock treatment 2723730.216 -227000.0 -0.25 3477307.692 -402000.0 -0.42 -0.4696 -0.9679 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M15 compound treatment 2610334.495 -340000.0 -0.37 3341232.877 -538000.0 -0.56 -0.6565 -0.9795 3187827 PK04_101247 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M16 compound treatment 2790200.0 -160000.0 -0.17 3387430.108 -492000.0 -0.51 -0.4846 -0.897 3187828 PK04_101248 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M17 compound treatment 2844063.291 -106000.0 -0.12 3316316.129 -563000.0 -0.59 -0.4956 -0.8305 3069930 PK04_101249 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M18 compound treatment 2721112.903 -229000.0 -0.25 3280086.643 -600000.0 -0.62 -0.6165 -0.9188 3187829 PK04_101250 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M19 compound treatment 2747714.844 -203000.0 -0.22 3408503.145 -471000.0 -0.49 -0.5017 -0.9347 3069931 PK04_101251 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M20 compound treatment 2883273.381 -67200.0 -0.07 3498510.417 -381000.0 -0.4 -0.3316 -0.8234 3187830 PK04_101252 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M21 compound treatment 2544481.356 -406000.0 -0.44 3331770.968 -548000.0 -0.57 -0.7139 -0.9919 3187831 PK04_101253 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M22 compound treatment 2766603.113 -184000.0 -0.2 3938192.771 58600.0 0.06 -0.0979 -0.4698 3069932 PK04_101254 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M23 compound treatment 2858736.059 -91800.0 -0.1 3889230.088 9610.0 0.01 -0.0633 -0.633 3187832 PK04_101255 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 M24 compound treatment 2418119.565 -532000.0 -0.58 3878244.813 -1380.0 0.0 -0.4092 -0.7089 3187833 PK04_101256 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N01 compound treatment 2773733.096 -177000.0 -0.19 3562513.636 -317000.0 -0.33 -0.3686 -0.9667 3069933 PK04_101257 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N02 compound treatment 3193613.383 243000.0 0.26 4607718.182 728000.0 0.76 0.7215 0.9003 3187700 PK04_101258 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N03 compound treatment 2880707.692 -69800.0 -0.08 3995596.639 116000.0 0.12 0.0317 0.2229 3187834 PK04_101259 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N04 compound treatment 2794872.483 -156000.0 -0.17 3942105.932 62500.0 0.06 -0.0734 -0.4059 3069934 PK04_101260 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N05 compound treatment 2703482.428 -247000.0 -0.27 3668926.724 -211000.0 -0.22 -0.3442 -0.995 3187835 PK04_101261 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N06 compound treatment 2825589.744 -125000.0 -0.14 3750696.154 -129000.0 -0.13 -0.1905 -1.0 3069934 PK04_101262 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N07 compound treatment 2826847.222 -124000.0 -0.13 3753451.957 -126000.0 -0.13 -0.1875 -0.9999 3187836 PK04_101263 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N08 compound treatment 2765418.919 -185000.0 -0.2 3678408.163 -201000.0 -0.21 -0.2898 -0.9998 3069935 PK04_101264 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N09 mock treatment 2828514.851 -122000.0 -0.13 3807143.411 -72500.0 -0.08 -0.1468 -0.9644 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N10 mock treatment 2747517.361 -203000.0 -0.22 3764153.558 -115000.0 -0.12 -0.2405 -0.9593 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N11 compound treatment 2859891.228 -90600.0 -0.1 3622265.823 -257000.0 -0.27 -0.2586 -0.9075 3187837 PK04_101265 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N12 compound treatment 2850787.004 -99700.0 -0.11 3672792.683 -207000.0 -0.21 -0.2285 -0.9494 3069935 PK04_101266 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N13 mock treatment 2943190.299 -7310.0 -0.01 3735330.909 -144000.0 -0.15 -0.1117 -0.7434 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N14 mock treatment 2822783.133 -128000.0 -0.14 3566115.942 -314000.0 -0.33 -0.3283 -0.9273 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N15 compound treatment 2880612.546 -69900.0 -0.08 3731128.114 -148000.0 -0.15 -0.1627 -0.9464 3069936 PK04_101267 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N16 compound treatment 2859663.265 -90800.0 -0.1 3597789.091 -282000.0 -0.29 -0.2768 -0.8956 3187838 PK04_101268 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N17 compound treatment 2605487.73 -345000.0 -0.37 3132850.299 -747000.0 -0.78 -0.8134 -0.944 3187839 PK04_101269 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N18 compound treatment 2865970.395 -84500.0 -0.09 3402740.614 -477000.0 -0.5 -0.4153 -0.8239 3187838 PK04_101270 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N19 compound treatment 2927239.748 -23300.0 -0.03 3149577.16 -730000.0 -0.76 -0.5544 -0.7302 3187840 PK04_101271 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N20 compound treatment 2869469.314 -81000.0 -0.09 3460928.339 -419000.0 -0.44 -0.3699 -0.8331 3187841 PK04_101272 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N21 compound treatment 2661652.174 -289000.0 -0.31 3299832.237 -580000.0 -0.6 -0.6476 -0.9535 3069973 PK04_101273 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N22 compound treatment 2779975.61 -171000.0 -0.18 3308264.151 -571000.0 -0.59 -0.5507 -0.8853 3187841 PK04_101274 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N23 compound treatment 2829495.549 -121000.0 -0.13 3871468.992 -8150.0 -0.01 -0.0988 -0.7512 3187842 PK04_101275 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 N24 compound treatment 2554435.115 -396000.0 -0.43 3368294.606 -511000.0 -0.53 -0.6795 -0.9944 3187843 PK04_101276 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O01 compound treatment 2271563.333 -679000.0 -0.74 2852657.143 -1030000.0 -1.07 -1.2753 -0.9835 3069974 PK04_101277 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O02 compound treatment 2578820.789 -372000.0 -0.4 3238925.424 -641000.0 -0.67 -0.7559 -0.9711 3187957 PK04_101278 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O03 compound treatment 2670940.767 -280000.0 -0.3 3554185.185 -325000.0 -0.34 -0.4535 -0.9985 3187958 PK04_101279 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O04 compound treatment 2499115.512 -451000.0 -0.49 3727683.761 -152000.0 -0.16 -0.4577 -0.8901 3069975 PK04_101280 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O05 compound treatment 2737204.301 -213000.0 -0.23 3650992.0 -229000.0 -0.24 -0.3316 -0.9999 3187959 PK04_101281 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O06 compound treatment 2887092.593 -63400.0 -0.07 3510464.789 -369000.0 -0.38 -0.3199 -0.8207 3187960 PK04_101282 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O07 compound treatment 2610861.94 -340000.0 -0.37 3619474.104 -260000.0 -0.27 -0.4516 -0.9885 3069976 PK04_101283 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O08 compound treatment 2977504.644 27000.0 0.03 4147412.955 268000.0 0.28 0.2175 0.7772 3187961 PK04_101284 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O09 compound treatment 2840170.807 -110000.0 -0.12 4114037.344 234000.0 0.24 0.0877 0.3231 3069977 PK04_101285 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O10 compound treatment 2976131.579 25600.0 0.03 3892434.457 12800.0 0.01 0.0291 0.9432 3187962 PK04_101286 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O11 mock treatment 3071652.174 121000.0 0.13 4506088.235 626000.0 0.65 0.5533 0.833 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O12 mock treatment 3136566.667 186000.0 0.2 4190079.439 310000.0 0.32 0.3708 0.9744 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O13 compound treatment 3279852.713 329000.0 0.36 4426245.059 547000.0 0.57 0.6543 0.975 3187963 PK04_101287 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O14 compound treatment 3051148.014 101000.0 0.11 3997145.038 118000.0 0.12 0.1635 0.9984 3069978 PK04_101288 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O15 compound treatment 2987101.266 36600.0 0.04 3827906.883 -51700.0 -0.05 -0.0099 -0.1489 3187964 PK04_101289 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O16 compound treatment 2999581.315 49100.0 0.05 4270302.222 391000.0 0.41 0.3248 0.793 3187965 PK04_101290 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O17 compound treatment 2744951.557 -206000.0 -0.22 4053991.903 174000.0 0.18 -0.0294 -0.1025 3069979 PK04_101291 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O18 compound treatment 3007792.727 57300.0 0.06 4044787.313 165000.0 0.17 0.1653 0.9055 3187966 PK04_101292 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O19 compound treatment 2878035.971 -72500.0 -0.08 3854916.084 -24700.0 -0.03 -0.0737 -0.8918 3187967 PK04_101293 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O20 compound treatment 2980400.735 29900.0 0.03 4356894.34 477000.0 0.5 0.3737 0.7517 3069980 PK04_101294 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O21 compound treatment 2919132.492 -31400.0 -0.03 3897922.261 18300.0 0.02 -0.0106 -0.272 3187968 PK04_101295 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O22 compound treatment 2883241.877 -67300.0 -0.07 4151632.0 272000.0 0.28 0.1484 0.5081 3069981 PK04_101296 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O23 compound treatment 3039219.512 88700.0 0.1 4036867.188 157000.0 0.16 0.1836 0.9681 3187969 PK04_101297 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 O24 compound treatment 2589747.44 -361000.0 -0.39 3468489.177 -411000.0 -0.43 -0.5788 -0.999 3187970 PK04_101298 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P01 compound treatment 2217224.49 -733000.0 -0.8 3073945.148 -806000.0 -0.84 -1.1543 -0.9997 3069982 PK04_101299 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P02 compound treatment 2565837.838 -385000.0 -0.42 3578344.961 -301000.0 -0.31 -0.5163 -0.99 3187843 PK04_101300 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P03 compound treatment 2811234.483 -139000.0 -0.15 4217902.778 338000.0 0.35 0.1419 0.3707 3187971 PK04_101301 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P04 compound treatment 2673541.379 -277000.0 -0.3 3943092.511 63500.0 0.07 -0.1657 -0.5389 3069983 PK04_101302 OCCOCCN(C(C(=O)N(CC=C)Cc1ccccc1)c2cccs2)C(=O)/C=C\C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P05 compound treatment 2744767.857 -206000.0 -0.22 3848991.597 -30600.0 -0.03 -0.1802 -0.7999 3187972 PK04_101303 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P06 compound treatment 2693398.058 -257000.0 -0.28 3825141.553 -54500.0 -0.06 -0.2372 -0.8337 3187973 PK04_101304 OCCOCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P07 compound treatment 2715369.176 -235000.0 -0.25 4012158.996 133000.0 0.14 -0.0829 -0.2859 3069985 PK04_101305 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P08 compound treatment 2564157.051 -386000.0 -0.42 3499619.403 -380000.0 -0.39 -0.5755 -0.9996 3187974 PK04_101306 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P09 compound treatment 2675245.033 -275000.0 -0.3 3588243.802 -291000.0 -0.3 -0.4252 -1.0 3187975 PK04_101307 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P10 compound treatment 2735498.182 -215000.0 -0.23 3729310.811 -150000.0 -0.16 -0.2753 -0.9811 3187974 PK04_101308 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P11 mock treatment 2933765.568 -16700.0 -0.02 4328594.595 449000.0 0.47 0.3172 0.6791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P12 mock treatment 2739579.661 -211000.0 -0.23 4137030.702 257000.0 0.27 0.0275 0.0781 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P13 compound treatment 2678277.108 -272000.0 -0.3 3601059.233 -279000.0 -0.29 -0.4134 -1.0 3069986 PK04_101309 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P14 compound treatment 2671592.742 -279000.0 -0.3 4039758.621 160000.0 0.17 -0.0961 -0.2785 3069301 PK04_101310 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P15 compound treatment 2687019.934 -263000.0 -0.29 3820800.0 -58800.0 -0.06 -0.2452 -0.8394 3187976 PK04_101311 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P16 compound treatment 2534943.925 -416000.0 -0.45 3740222.707 -139000.0 -0.14 -0.4211 -0.8896 3069301 PK04_101312 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P17 compound treatment 2541885.906 -409000.0 -0.44 3689275.862 -190000.0 -0.2 -0.4532 -0.934 3187977 PK04_101313 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P18 compound treatment 2886190.083 -64300.0 -0.07 3645624.0 -234000.0 -0.24 -0.2213 -0.8746 3069302 PK04_101314 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P19 compound treatment 2679708.029 -271000.0 -0.29 3740686.833 -139000.0 -0.14 -0.3097 -0.9466 3189130 PK04_101315 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P20 compound treatment 2569183.607 -381000.0 -0.41 3754493.776 -125000.0 -0.13 -0.3843 -0.8867 3069302 PK04_101316 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P21 compound treatment 2230733.119 -720000.0 -0.78 3499735.294 -380000.0 -0.39 -0.831 -0.9502 3189131 PK04_101317 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P22 compound treatment 2546401.235 -404000.0 -0.44 3066794.776 -813000.0 -0.84 -0.9072 -0.9533 3069303 PK04_101318 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P23 compound treatment 2535626.374 -415000.0 -0.45 3238216.216 -641000.0 -0.67 -0.7895 -0.9817 3069685 PK04_101319 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2101 P24 compound treatment 2753867.188 -197000.0 -0.21 3108050.193 -772000.0 -0.8 -0.7178 -0.865 3069303 PK04_101320 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A01 compound treatment 2914450.593 -1080000.0 -1.17 2892786.822 -1290000.0 -1.34 -1.7705 -0.9978 3188092 PK04_102001 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A02 compound treatment 3316412.5 -675000.0 -0.73 3005698.795 -1170000.0 -1.22 -1.3793 -0.9703 3188093 PK04_102002 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A03 compound treatment 3251052.381 -741000.0 -0.8 3025721.154 -1150000.0 -1.2 -1.4147 -0.9811 3069304 PK04_102003 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccccc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A04 compound treatment 3611992.481 -380000.0 -0.41 3057577.778 -1120000.0 -1.16 -1.1146 -0.9024 3188094 PK04_102004 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A05 compound treatment 3290457.031 -701000.0 -0.76 3408800.766 -769000.0 -0.8 -1.1029 -0.9997 3069305 PK04_102005 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A06 compound treatment 3081000.0 -911000.0 -0.99 3073167.488 -1100000.0 -1.15 -1.5102 -0.9972 3188095 PK04_102006 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A07 compound treatment 3020570.313 -971000.0 -1.05 2980391.003 -1200000.0 -1.24 -1.6247 -0.9965 3069306 PK04_102007 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A08 compound treatment 2859152.542 -1130000.0 -1.23 2549569.17 -1630000.0 -1.69 -2.0651 -0.9876 3188096 PK04_102008 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A09 compound treatment 2629689.076 -1360000.0 -1.48 3071368.098 -1110000.0 -1.15 -1.8576 -0.9924 3188097 PK04_102009 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A10 compound treatment 3247493.392 -744000.0 -0.81 2768970.954 -1410000.0 -1.46 -1.6061 -0.9606 3069307 PK04_102010 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A11 compound treatment 2834839.216 -1160000.0 -1.25 2809274.436 -1370000.0 -1.42 -1.8929 -0.998 3188098 PK04_102011 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A12 compound treatment 3180990.476 -811000.0 -0.88 3177105.727 -1000000.0 -1.04 -1.3572 -0.9965 3069308 PK04_102012 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A13 mock treatment 3704308.333 -287000.0 -0.31 3680457.547 -497000.0 -0.52 -0.586 -0.9706 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A14 mock treatment 3803259.414 -188000.0 -0.2 3903250.0 -275000.0 -0.29 -0.3464 -0.9865 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A15 compound treatment 2960276.423 -1030000.0 -1.12 2831349.345 -1350000.0 -1.4 -1.7805 -0.9938 3188099 PK04_102013 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A16 compound treatment 3201712.121 -790000.0 -0.86 3339159.091 -839000.0 -0.87 -1.2222 -1.0 3188100 PK04_102014 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A17 compound treatment 3495078.947 -497000.0 -0.54 3898113.402 -280000.0 -0.29 -0.5864 -0.9582 3069309 PK04_102015 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@]5(O[C@H](CCO)[C@H]([C@@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A18 compound treatment 3585576.577 -406000.0 -0.44 3740750.0 -437000.0 -0.45 -0.6327 -0.9999 3188101 PK04_102016 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A19 compound treatment 2993157.635 -999000.0 -1.08 3210231.884 -968000.0 -1.01 -1.4768 -0.9993 3069310 PK04_102017 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A20 compound treatment 3725852.217 -266000.0 -0.29 3799034.043 -379000.0 -0.39 -0.4823 -0.9882 3188102 PK04_102018 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@@]5(O[C@@H](CCO)[C@@H]([C@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A21 compound treatment 3367064.777 -625000.0 -0.68 3248092.857 -930000.0 -0.97 -1.1623 -0.9849 3188103 PK04_102019 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A22 compound treatment 3222442.379 -769000.0 -0.83 3593111.65 -585000.0 -0.61 -1.0196 -0.9879 3069311 PK04_102020 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A23 compound treatment 3645975.41 -346000.0 -0.37 3388861.224 -789000.0 -0.82 -0.845 -0.9371 3188104 PK04_102021 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 A24 compound treatment 3224739.91 -767000.0 -0.83 3487076.923 -691000.0 -0.72 -1.0958 -0.9973 3188105 PK04_102022 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B01 compound treatment 3230862.454 -761000.0 -0.82 3201232.143 -977000.0 -1.02 -1.3012 -0.9947 3069350 PK04_102023 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B02 compound treatment 4048493.927 56800.0 0.06 3477368.889 -701000.0 -0.73 -0.4714 -0.645 3188106 PK04_102024 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B03 compound treatment 4384711.864 393000.0 0.43 3288748.062 -889000.0 -0.92 -0.3522 -0.3461 3069351 PK04_102025 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCCCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B04 compound treatment 4375504.63 384000.0 0.42 3689183.486 -489000.0 -0.51 -0.065 -0.0989 3188107 PK04_102026 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B05 compound treatment 4034238.095 42500.0 0.05 3336626.087 -841000.0 -0.87 -0.5857 -0.6689 3188221 PK04_102027 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B06 compound treatment 4095621.514 104000.0 0.11 3343667.969 -834000.0 -0.87 -0.5335 -0.6101 3069352 PK04_102028 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B07 compound treatment 3943018.182 -48700.0 -0.05 3507814.815 -670000.0 -0.7 -0.5299 -0.7585 3188222 PK04_102029 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B08 compound treatment 4099563.636 108000.0 0.12 3777700.0 -400000.0 -0.42 -0.2115 -0.4894 3069353 PK04_102030 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B09 compound treatment 4051098.361 59400.0 0.06 4371715.556 194000.0 0.2 0.188 0.8888 3188223 PK04_102031 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B10 compound treatment 3742115.044 -250000.0 -0.27 3634392.523 -544000.0 -0.56 -0.5909 -0.9432 3188224 PK04_102032 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B11 compound treatment 4082040.161 90300.0 0.1 4081844.538 -96100.0 -0.1 -0.0014 -0.0098 3069354 PK04_102033 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B12 compound treatment 4406348.259 415000.0 0.45 3638859.813 -539000.0 -0.56 -0.0783 -0.109 3188225 PK04_102034 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B13 mock treatment 4171213.27 179000.0 0.19 4100467.213 -77500.0 -0.08 0.0807 0.3831 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B14 mock treatment 4139252.252 148000.0 0.16 4219636.792 41700.0 0.04 0.1438 0.8674 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B15 compound treatment 4374584.362 383000.0 0.42 3807070.485 -371000.0 -0.39 0.021 0.037 3188226 PK04_102035 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B16 compound treatment 3624856.481 -367000.0 -0.4 3659951.965 -518000.0 -0.54 -0.662 -0.9889 3069355 PK04_102036 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B17 compound treatment 4288588.785 297000.0 0.32 4029995.392 -148000.0 -0.15 0.1189 0.3332 3188227 PK04_102037 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B18 compound treatment 4112109.89 120000.0 0.13 3889116.279 -289000.0 -0.3 -0.12 -0.3665 3069356 PK04_102038 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B19 compound treatment 4491359.504 500000.0 0.54 4075060.976 -103000.0 -0.11 0.3075 0.5568 3188228 PK04_102039 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B20 compound treatment 4350766.055 359000.0 0.39 4421853.755 244000.0 0.25 0.4546 0.9784 3188229 PK04_102040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B21 compound treatment 3857054.475 -135000.0 -0.15 3818502.075 -359000.0 -0.37 -0.3674 -0.916 3069357 PK04_102041 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B22 compound treatment 3628098.182 -364000.0 -0.39 3616004.167 -562000.0 -0.58 -0.6918 -0.9817 3188230 PK04_102042 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(I)c6)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B23 compound treatment 3735366.516 -256000.0 -0.28 3350453.532 -827000.0 -0.86 -0.8047 -0.8903 3069358 PK04_102043 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 B24 compound treatment 4220144.105 228000.0 0.25 3881197.115 -297000.0 -0.31 -0.043 -0.1086 3188231 PK04_102044 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C01 compound treatment 3048362.637 -943000.0 -1.02 2950547.718 -1230000.0 -1.28 -1.6254 -0.994 3188232 PK04_102045 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C02 compound treatment 3006466.912 -985000.0 -1.07 3161789.474 -1020000.0 -1.06 -1.5022 -1.0 3069359 PK04_102046 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C03 compound treatment 3530799.107 -461000.0 -0.5 3276107.981 -902000.0 -0.94 -1.0162 -0.9566 3188233 PK04_102047 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C04 compound treatment 3486832.7 -505000.0 -0.55 3272988.806 -905000.0 -0.94 -1.0522 -0.9668 3188234 PK04_102048 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C05 compound treatment 3526580.357 -465000.0 -0.5 3533169.231 -645000.0 -0.67 -0.8305 -0.9902 3069360 PK04_102049 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C06 compound treatment 3800359.223 -191000.0 -0.21 3349283.505 -829000.0 -0.86 -0.7558 -0.853 3188235 PK04_102050 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C07 compound treatment 3550445.344 -441000.0 -0.48 3093450.355 -1080000.0 -1.13 -1.1354 -0.9272 3069393 PK04_102051 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C08 compound treatment 2847012.0 -1140000.0 -1.24 3326623.318 -851000.0 -0.88 -1.5033 -0.9862 3188236 PK04_102052 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C09 compound treatment 2616132.911 -1380000.0 -1.49 2573289.34 -1600000.0 -1.67 -2.234 -0.9984 3069394 PK04_102053 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C10 compound treatment 3399690.0 -592000.0 -0.64 3224167.513 -954000.0 -0.99 -1.1549 -0.9779 3188352 PK04_102054 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C11 mock treatment 3797847.534 -194000.0 -0.21 3975376.344 -203000.0 -0.21 -0.2975 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C12 mock treatment 3883089.109 -109000.0 -0.12 3868180.905 -310000.0 -0.32 -0.3109 -0.907 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C13 compound treatment 3883392.523 -108000.0 -0.12 3939381.166 -239000.0 -0.25 -0.2584 -0.9417 3188353 PK04_102055 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C14 compound treatment 3485759.825 -506000.0 -0.55 3650101.01 -528000.0 -0.55 -0.7759 -1.0 3069395 PK04_102056 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C15 mock treatment 4066061.674 74300.0 0.08 4270426.396 92500.0 0.1 0.125 0.9962 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C16 mock treatment 3802816.901 -189000.0 -0.2 3772009.174 -406000.0 -0.42 -0.4432 -0.9449 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C17 compound treatment 3484252.252 -507000.0 -0.55 3426965.812 -751000.0 -0.78 -0.941 -0.9853 3188354 PK04_102057 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C18 compound treatment 3598043.86 -394000.0 -0.43 3598045.249 -580000.0 -0.6 -0.728 -0.9857 3069396 PK04_102058 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C19 compound treatment 4028208.738 36500.0 0.04 3953595.745 -224000.0 -0.23 -0.1369 -0.5789 3188355 PK04_102059 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C20 compound treatment 3825315.534 -166000.0 -0.18 3806957.447 -371000.0 -0.39 -0.4002 -0.9401 3188356 PK04_102060 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C21 compound treatment 3647466.667 -344000.0 -0.37 3561099.01 -617000.0 -0.64 -0.7173 -0.9669 3069397 PK04_102061 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C22 compound treatment 3536866.972 -455000.0 -0.49 3201269.531 -977000.0 -1.02 -1.0666 -0.945 3188357 PK04_102062 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C23 compound treatment 3263304.167 -728000.0 -0.79 3526500.0 -651000.0 -0.68 -1.0373 -0.9971 3188358 PK04_102063 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 C24 compound treatment 3031284.672 -960000.0 -1.04 2908912.5 -1270000.0 -1.32 -1.6691 -0.9932 3069398 PK04_102064 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D01 compound treatment 2888646.643 -1100000.0 -1.2 3049981.308 -1130000.0 -1.17 -1.6747 -1.0 3188359 PK04_102065 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D02 compound treatment 3466351.598 -525000.0 -0.57 3288660.287 -889000.0 -0.92 -1.0564 -0.973 3069399 PK04_102066 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(I)cc6)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D03 compound treatment 3987295.775 -4420.0 0.0 3451304.348 -727000.0 -0.76 -0.5374 -0.7116 3188360 PK04_102067 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D04 compound treatment 4093095.89 101000.0 0.11 3465616.0 -712000.0 -0.74 -0.4458 -0.5956 3188361 PK04_102068 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D05 compound treatment 3809198.157 -183000.0 -0.2 3754720.648 -423000.0 -0.44 -0.451 -0.935 3069400 PK04_102069 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D06 compound treatment 3470746.667 -521000.0 -0.56 3568737.557 -609000.0 -0.63 -0.8472 -0.9984 3188362 PK04_102070 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D07 compound treatment 3658367.089 -333000.0 -0.36 3677311.688 -501000.0 -0.52 -0.6235 -0.9841 3188363 PK04_102071 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D08 compound treatment 3563655.797 -428000.0 -0.46 3734818.584 -443000.0 -0.46 -0.6539 -1.0 3069401 PK04_102072 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D09 compound treatment 3738196.078 -254000.0 -0.27 3769653.68 -408000.0 -0.42 -0.4944 -0.9779 3188364 PK04_102073 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D10 compound treatment 3871923.387 -120000.0 -0.13 3936216.102 -242000.0 -0.25 -0.2695 -0.9529 3069402 PK04_102074 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D11 mock treatment 3597892.593 -394000.0 -0.43 3919528.634 -258000.0 -0.27 -0.4919 -0.975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D12 mock treatment 3427936.255 -564000.0 -0.61 3780078.431 -398000.0 -0.41 -0.7247 -0.9819 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D13 compound treatment 3446078.014 -546000.0 -0.59 3946902.913 -231000.0 -0.24 -0.5881 -0.9211 3069403 PK04_102075 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D14 compound treatment 3154382.716 -837000.0 -0.91 3474877.005 -703000.0 -0.73 -1.1587 -0.9942 3188365 PK04_102076 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D15 mock treatment 3489308.594 -502000.0 -0.54 3435194.853 -743000.0 -0.77 -0.9311 -0.9854 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D16 mock treatment 3442864.964 -549000.0 -0.6 3968011.952 -210000.0 -0.22 -0.5751 -0.9073 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D17 compound treatment 3242081.712 -750000.0 -0.81 3832654.378 -345000.0 -0.36 -0.8285 -0.9325 3188366 PK04_102077 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D18 compound treatment 3182338.509 -809000.0 -0.88 3750658.228 -427000.0 -0.44 -0.9346 -0.9502 3069404 PK04_102078 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D19 compound treatment 3563137.931 -429000.0 -0.46 3384866.412 -793000.0 -0.82 -0.9115 -0.9632 3188367 PK04_102079 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D20 compound treatment 2663679.739 -1330000.0 -1.44 2681778.571 -1500000.0 -1.56 -2.1178 -0.9993 3069405 PK04_102080 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D21 compound treatment 3326935.065 -665000.0 -0.72 3417925.0 -760000.0 -0.79 -1.0683 -0.999 3188368 PK04_102081 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D22 compound treatment 3344742.308 -647000.0 -0.7 3046345.89 -1130000.0 -1.18 -1.3277 -0.9695 3069440 PK04_102082 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D23 compound treatment 2938992.188 -1050000.0 -1.14 3133581.967 -1040000.0 -1.09 -1.5747 -0.9997 3188485 PK04_102083 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 D24 compound treatment 2957467.105 -1030000.0 -1.12 3291535.088 -886000.0 -0.92 -1.4444 -0.9952 3069441 PK04_102084 O[C@H](CC=C)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E01 mock treatment 3557783.55 -434000.0 -0.47 3731964.126 -446000.0 -0.46 -0.6605 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E02 mock treatment 3579184.818 -413000.0 -0.45 4169050.228 -8880.0 -0.01 -0.3228 -0.7215 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E03 compound treatment 3779706.612 -212000.0 -0.23 3915105.932 -263000.0 -0.27 -0.3557 -0.9963 3069442 PK04_102085 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E04 compound treatment 4031121.359 39400.0 0.04 3752540.984 -425000.0 -0.44 -0.2824 -0.6358 3188486 PK04_102086 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E05 compound treatment 3624714.286 -367000.0 -0.4 3802869.792 -375000.0 -0.39 -0.557 -0.9999 3188487 PK04_102087 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E06 compound treatment 3718335.849 -273000.0 -0.3 4267473.958 89500.0 0.09 -0.1438 -0.4628 3069443 PK04_102088 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E07 compound treatment 3657229.358 -334000.0 -0.36 3475253.906 -703000.0 -0.73 -0.7729 -0.9478 3188488 PK04_102089 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E08 compound treatment 3706348.361 -285000.0 -0.31 3549480.769 -628000.0 -0.65 -0.6807 -0.9417 3188489 PK04_102090 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E09 mock treatment 3931710.744 -60000.0 -0.07 4010908.714 -167000.0 -0.17 -0.1688 -0.9103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E10 mock treatment 3931262.712 -60500.0 -0.07 4298486.607 121000.0 0.13 0.0423 0.2988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E11 compound treatment 4292464.455 301000.0 0.33 4089042.918 -88900.0 -0.09 0.1652 0.4876 3069444 PK04_102091 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E12 compound treatment 3913545.802 -78200.0 -0.08 3687638.554 -490000.0 -0.51 -0.4203 -0.8135 3188490 PK04_102092 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E13 compound treatment 3753291.209 -238000.0 -0.26 4276744.526 98800.0 0.1 -0.1102 -0.3961 3069445 PK04_102093 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E14 compound treatment 3975370.0 -16300.0 -0.02 3864657.534 -313000.0 -0.33 -0.2428 -0.7445 3188491 PK04_102094 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E15 compound treatment 3312788.732 -679000.0 -0.74 4158109.375 -19800.0 -0.02 -0.5351 -0.7266 3188492 PK04_102095 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E16 compound treatment 4064217.021 72500.0 0.08 4254986.667 77100.0 0.08 0.1122 1.0 3069446 PK04_102096 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E17 mock treatment 3833585.106 -158000.0 -0.17 4490680.672 313000.0 0.33 0.1086 0.2956 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E18 mock treatment 4396465.517 405000.0 0.44 4185770.909 7840.0 0.01 0.3161 0.7201 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E19 compound treatment 3880955.446 -111000.0 -0.12 4508341.346 330000.0 0.34 0.1579 0.4341 3188493 PK04_102097 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E20 compound treatment 3934757.576 -57000.0 -0.06 4408907.895 231000.0 0.24 0.1261 0.5086 3188494 PK04_102098 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E21 compound treatment 3806831.373 -185000.0 -0.2 4259410.042 81500.0 0.08 -0.0819 -0.3762 3069448 PK04_102099 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E22 compound treatment 4108570.048 117000.0 0.13 4180826.484 2890.0 0.0 0.0917 0.7237 3188495 PK04_102100 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E23 compound treatment 3665454.148 -326000.0 -0.35 3593802.632 -584000.0 -0.61 -0.6795 -0.9669 3069450 PK04_102101 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 E24 compound treatment 3583143.411 -409000.0 -0.44 4112233.766 -65700.0 -0.07 -0.3615 -0.8066 3188496 PK04_102102 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F01 mock treatment 3693351.852 -298000.0 -0.32 3289583.333 -888000.0 -0.92 -0.8817 -0.9011 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F02 mock treatment 3944441.964 -47300.0 -0.05 4285362.745 107000.0 0.11 0.0427 0.3476 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F03 compound treatment 3741821.168 -250000.0 -0.27 3771170.124 -407000.0 -0.42 -0.4906 -0.9769 3188497 PK04_102103 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F04 compound treatment 3426851.852 -565000.0 -0.61 3309598.802 -868000.0 -0.9 -1.0713 -0.9822 3069264 PK04_102104 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F05 compound treatment 4637912.134 646000.0 0.7 3404177.305 -774000.0 -0.8 -0.0733 -0.0687 3069265 PK04_102105 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F06 compound treatment 3237453.039 -754000.0 -0.82 3274746.667 -903000.0 -0.94 -1.2421 -0.9976 3188498 PK04_102106 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F07 compound treatment 4071463.964 79700.0 0.09 4403257.732 225000.0 0.23 0.2267 0.9082 3188499 PK04_102107 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F08 compound treatment 3718329.67 -273000.0 -0.3 4185567.797 7630.0 0.01 -0.204 -0.6879 3069441 PK04_102108 O[C@H](CC=C)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F09 mock treatment 3868064.151 -124000.0 -0.13 4301407.24 123000.0 0.13 -0.0041 -0.0218 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F10 mock treatment 4183330.472 192000.0 0.21 4149410.256 -28500.0 -0.03 0.1259 0.6001 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F11 compound treatment 3553976.654 -438000.0 -0.47 3876934.211 -301000.0 -0.31 -0.5568 -0.9795 3188500 PK04_102109 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F12 compound treatment 3592185.811 -400000.0 -0.43 3939957.627 -238000.0 -0.25 -0.4812 -0.9647 3069270 PK04_102110 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F13 compound treatment 2942963.303 -1050000.0 -1.14 3660346.304 -518000.0 -0.54 -1.1845 -0.9416 3188501 PK04_102111 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F14 compound treatment 3118743.516 -873000.0 -0.95 3603167.224 -575000.0 -0.6 -1.0917 -0.9754 3188502 PK04_102112 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F15 compound treatment 3648610.039 -343000.0 -0.37 3756144.404 -422000.0 -0.44 -0.5731 -0.9967 3188623 PK04_102113 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F16 compound treatment 3261218.31 -731000.0 -0.79 3690265.781 -488000.0 -0.51 -0.9185 -0.9767 3069312 PK04_102114 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F17 mock treatment 3567434.343 -424000.0 -0.46 4056053.279 -122000.0 -0.13 -0.4149 -0.8695 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F18 mock treatment 3334196.203 -658000.0 -0.71 3710975.61 -467000.0 -0.49 -0.8473 -0.9824 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F19 compound treatment 3481520.913 -510000.0 -0.55 4176606.426 -1330.0 0.0 -0.3921 -0.7089 3188624 PK04_102115 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F20 compound treatment 4038319.149 46600.0 0.05 4542973.333 365000.0 0.38 0.304 0.7943 3069314 PK04_102116 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F21 compound treatment 3507208.075 -485000.0 -0.53 3571583.893 -606000.0 -0.63 -0.8171 -0.9959 3069316 PK04_102117 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F22 compound treatment 2726906.25 -1260000.0 -1.37 3103500.0 -1070000.0 -1.12 -1.7594 -0.9948 3188625 PK04_102118 O[C@@H](CC=C)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F23 compound treatment 3915639.485 -76100.0 -0.08 3819272.727 -359000.0 -0.37 -0.3219 -0.8432 3188626 PK04_102119 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 F24 compound treatment 3774611.765 -217000.0 -0.24 3916668.103 -261000.0 -0.27 -0.3585 -0.9975 3069318 PK04_102120 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G01 compound treatment 2931011.765 -1060000.0 -1.15 3275605.042 -902000.0 -0.94 -1.4764 -0.9949 3069320 PK04_102121 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO)nn2)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G02 compound treatment 3916923.767 -74800.0 -0.08 3870065.217 -308000.0 -0.32 -0.2836 -0.8591 3188627 PK04_102122 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G03 mock treatment 3516204.819 -476000.0 -0.52 3929648.649 -248000.0 -0.26 -0.5471 -0.9488 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G04 mock treatment 3622145.27 -370000.0 -0.4 3986873.134 -191000.0 -0.2 -0.4238 -0.9476 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G05 compound treatment 3311316.832 -680000.0 -0.74 4020775.758 -157000.0 -0.16 -0.6372 -0.8433 3069321 PK04_102123 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G06 compound treatment 3175003.509 -817000.0 -0.89 3383771.318 -794000.0 -0.83 -1.2099 -0.9994 3188628 PK04_102124 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G07 compound treatment 3582685.59 -409000.0 -0.44 3814049.02 -364000.0 -0.38 -0.581 -0.9969 3069362 PK04_102125 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4ccccc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G08 compound treatment 3226848.485 -765000.0 -0.83 3408531.136 -769000.0 -0.8 -1.1519 -0.9998 3188629 PK04_102126 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G09 compound treatment 2920310.58 -1070000.0 -1.16 3568547.945 -609000.0 -0.63 -1.2693 -0.9593 3188630 PK04_102127 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G10 compound treatment 3038038.61 -954000.0 -1.03 3794623.377 -383000.0 -0.4 -1.0129 -0.9141 3188631 PK04_102128 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G11 compound treatment 2447173.333 -1540000.0 -1.67 2590342.995 -1590000.0 -1.65 -2.351 -1.0 3069365 PK04_102129 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G12 compound treatment 3291488.889 -700000.0 -0.76 3719521.401 -458000.0 -0.48 -0.8738 -0.9748 3188632 PK04_102130 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G13 compound treatment 2788256.637 -1200000.0 -1.3 3690775.0 -487000.0 -0.51 -1.2807 -0.915 3069368 PK04_102131 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccccc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G14 compound treatment 3196088.968 -796000.0 -0.86 3175996.139 -1000000.0 -1.04 -1.3464 -0.9956 3069370 PK04_102132 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G15 compound treatment 3669678.832 -322000.0 -0.35 3442202.899 -736000.0 -0.76 -0.7876 -0.9369 3188633 PK04_102133 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G16 compound treatment 3292654.167 -699000.0 -0.76 3148702.602 -1030000.0 -1.07 -1.2924 -0.9858 3188634 PK04_102134 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G17 compound treatment 3504139.535 -488000.0 -0.53 3766703.704 -411000.0 -0.43 -0.6761 -0.9944 3188635 PK04_102135 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G18 compound treatment 4261460.526 270000.0 0.29 4677483.471 500000.0 0.52 0.574 0.9631 3069408 PK04_102136 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G19 mock treatment 4127236.934 136000.0 0.15 4866042.017 688000.0 0.72 0.6096 0.8349 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G20 mock treatment 4486857.143 495000.0 0.54 4789330.0 611000.0 0.64 0.829 0.9965 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G21 compound treatment 3943613.333 -48100.0 -0.05 4271358.852 93400.0 0.1 0.0318 0.2883 3188636 PK04_102137 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G22 compound treatment 4241847.656 250000.0 0.27 4405708.696 228000.0 0.24 0.3592 0.9977 3188637 PK04_102138 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G23 compound treatment 4383980.989 392000.0 0.43 4784922.727 607000.0 0.63 0.7469 0.9816 3069412 PK04_102139 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 G24 compound treatment 4358838.863 367000.0 0.4 4175733.01 -2200.0 0.0 0.2799 0.703 3188638 PK04_102140 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H01 compound treatment 3210305.677 -781000.0 -0.85 3504185.95 -674000.0 -0.7 -1.0943 -0.9955 3188639 PK04_102141 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H02 compound treatment 4021695.122 30000.0 0.03 4358074.257 180000.0 0.19 0.1554 0.8176 3069414 PK04_102142 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H03 mock treatment 4811234.742 820000.0 0.89 4815685.446 638000.0 0.66 1.097 0.9896 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H04 mock treatment 4407705.882 416000.0 0.45 4400491.228 223000.0 0.23 0.4825 0.9519 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H05 compound treatment 3589706.093 -402000.0 -0.44 3971608.889 -206000.0 -0.21 -0.4599 -0.9466 3188755 PK04_102143 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H06 compound treatment 3550906.78 -441000.0 -0.48 3778371.179 -400000.0 -0.42 -0.6316 -0.9975 3188362 PK04_102144 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H07 compound treatment 3626155.039 -366000.0 -0.4 3964556.122 -213000.0 -0.22 -0.4371 -0.9624 3188756 PK04_102145 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H08 compound treatment 3605578.182 -386000.0 -0.42 3880906.977 -297000.0 -0.31 -0.5144 -0.9888 3069452 PK04_102146 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H09 compound treatment 3498523.438 -493000.0 -0.53 4079968.254 -98000.0 -0.1 -0.4501 -0.8269 3188757 PK04_102147 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H10 compound treatment 2944982.353 -1050000.0 -1.13 3535857.143 -642000.0 -0.67 -1.2744 -0.968 3069454 PK04_102148 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H11 compound treatment 3536945.714 -455000.0 -0.49 3702881.533 -475000.0 -0.49 -0.6978 -1.0 3188758 PK04_102149 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H12 compound treatment 3344746.528 -647000.0 -0.7 3694025.83 -484000.0 -0.5 -0.8517 -0.9867 3069456 PK04_102150 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H13 compound treatment 2842884.477 -1150000.0 -1.25 3735054.393 -443000.0 -0.46 -1.2063 -0.9084 3188759 PK04_102151 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H14 compound treatment 2872760.417 -1120000.0 -1.21 3151172.043 -1030000.0 -1.07 -1.6125 -0.998 3069458 PK04_102152 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H15 compound treatment 3327094.276 -665000.0 -0.72 3690596.721 -487000.0 -0.51 -0.8677 -0.9851 3188760 PK04_102153 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H16 compound treatment 3494003.322 -498000.0 -0.54 3591850.299 -586000.0 -0.61 -0.8124 -0.9982 3069460 PK04_102154 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H17 compound treatment 3442469.595 -549000.0 -0.6 3692848.921 -485000.0 -0.5 -0.7776 -0.9966 3188761 PK04_102155 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H18 compound treatment 2697177.419 -1290000.0 -1.4 2867269.504 -1310000.0 -1.36 -1.9558 -0.9999 3069461 PK04_102156 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H19 mock treatment 3835650.155 -156000.0 -0.17 4370953.307 193000.0 0.2 0.0222 0.0846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H20 mock treatment 4200879.433 209000.0 0.23 4656663.934 479000.0 0.5 0.5122 0.9367 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H21 compound treatment 4170382.353 179000.0 0.19 4077818.182 -100000.0 -0.1 0.0634 0.2883 3188762 PK04_102157 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H22 compound treatment 3176860.697 -815000.0 -0.88 3608231.047 -570000.0 -0.59 -1.0435 -0.9811 3069504 PK04_102158 O[C@H](CC=C)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H23 compound treatment 4257233.607 266000.0 0.29 4041687.5 -136000.0 -0.14 0.1034 0.3224 3188763 PK04_102159 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 H24 compound treatment 4414081.197 422000.0 0.46 4195167.464 17200.0 0.02 0.3365 0.7342 3069401 PK04_102160 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I01 compound treatment 3471047.619 -521000.0 -0.56 3653936.073 -524000.0 -0.54 -0.7843 -0.9998 3069507 PK04_102161 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I02 compound treatment 3594532.075 -397000.0 -0.43 3782945.378 -395000.0 -0.41 -0.5948 -0.9997 3188764 PK04_102162 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I03 compound treatment 4069418.502 77700.0 0.08 4089226.891 -88700.0 -0.09 -0.0056 -0.045 3188765 PK04_102163 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I04 compound treatment 3109706.383 -882000.0 -0.96 3111039.823 -1070000.0 -1.11 -1.4604 -0.9973 3069594 PK04_102164 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I05 mock treatment 3588104.651 -404000.0 -0.44 3745968.379 -432000.0 -0.45 -0.6269 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I06 mock treatment 3476227.891 -515000.0 -0.56 3555629.893 -622000.0 -0.65 -0.8526 -0.9974 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I07 compound treatment 3079399.16 -912000.0 -0.99 3103027.668 -1070000.0 -1.12 -1.4895 -0.9982 3188766 PK04_102165 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I08 compound treatment 2901695.502 -1090000.0 -1.18 2927624.138 -1250000.0 -1.3 -1.7547 -0.9989 3188767 PK04_102166 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I09 compound treatment 3236933.11 -755000.0 -0.82 3204478.405 -973000.0 -1.01 -1.2942 -0.9945 3069598 PK04_102167 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I10 compound treatment 3030449.664 -961000.0 -1.04 2891390.071 -1290000.0 -1.34 -1.6826 -0.9924 3188768 PK04_102168 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I11 compound treatment 2702788.194 -1290000.0 -1.4 2921355.401 -1260000.0 -1.31 -1.9118 -0.9994 3188769 PK04_102169 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I12 compound treatment 3038739.13 -953000.0 -1.03 3081847.751 -1100000.0 -1.14 -1.5362 -0.9988 3069636 PK04_102170 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I13 compound treatment 2656402.344 -1340000.0 -1.45 3207462.687 -970000.0 -1.01 -1.737 -0.9844 3188770 PK04_102171 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I14 compound treatment 2928761.905 -1060000.0 -1.15 3215256.917 -963000.0 -1.0 -1.5225 -0.9975 3188771 PK04_102172 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I15 compound treatment 3488090.253 -504000.0 -0.55 3981348.837 -197000.0 -0.2 -0.5306 -0.9101 3069640 PK04_102173 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I16 compound treatment 3049834.646 -942000.0 -1.02 3610937.037 -567000.0 -0.59 -1.1389 -0.9659 3188888 PK04_102174 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I17 compound treatment 3396511.029 -595000.0 -0.65 3668039.13 -510000.0 -0.53 -0.8311 -0.9952 3069645 PK04_102175 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I18 compound treatment 3647576.208 -344000.0 -0.37 3521838.983 -656000.0 -0.68 -0.7461 -0.9597 3188889 PK04_102176 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I19 compound treatment 3479747.253 -512000.0 -0.56 3779363.636 -399000.0 -0.41 -0.6855 -0.9896 3069647 PK04_102177 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I20 compound treatment 3991353.909 -364.0 0.0 3709158.59 -469000.0 -0.49 -0.3448 -0.7077 3188890 PK04_102178 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I21 mock treatment 4296820.513 305000.0 0.33 4352884.0 175000.0 0.18 0.3625 0.9603 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I22 mock treatment 4220099.099 228000.0 0.25 4424136.364 246000.0 0.26 0.3561 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I23 compound treatment 3548645.455 -443000.0 -0.48 3996437.5 -181000.0 -0.19 -0.4731 -0.9166 3188891 PK04_102179 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 I24 compound treatment 3260030.151 -732000.0 -0.79 3569583.851 -608000.0 -0.63 -1.0081 -0.9937 3069706 PK04_102180 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J01 compound treatment 3761560.748 -230000.0 -0.25 4058222.798 -120000.0 -0.12 -0.2644 -0.9483 3188892 PK04_102181 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J02 compound treatment 4189459.459 198000.0 0.21 3988541.322 -189000.0 -0.2 0.0124 0.0426 3069707 PK04_102182 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J03 compound treatment 4521764.444 530000.0 0.57 4136904.564 -41000.0 -0.04 0.3762 0.6528 3188893 PK04_102183 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J04 compound treatment 4536127.193 544000.0 0.59 4630808.081 453000.0 0.47 0.7502 0.9937 3069711 PK04_102184 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J05 mock treatment 4382342.629 391000.0 0.42 4797981.982 620000.0 0.64 0.7552 0.9793 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J06 mock treatment 4133031.746 141000.0 0.15 4633546.61 456000.0 0.47 0.4432 0.8904 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J07 compound treatment 3769372.624 -222000.0 -0.24 3921308.55 -257000.0 -0.27 -0.3591 -0.9987 3188894 PK04_102185 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J08 compound treatment 2635953.488 -1360000.0 -1.47 3023840.0 -1150000.0 -1.2 -1.8877 -0.9949 3069714 PK04_102186 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J09 compound treatment 4275305.085 284000.0 0.31 3469180.672 -709000.0 -0.74 -0.3035 -0.3802 3188895 PK04_102187 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J10 compound treatment 3853054.264 -139000.0 -0.15 3897428.016 -281000.0 -0.29 -0.3125 -0.9525 3069716 PK04_102188 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J11 compound treatment 3150281.787 -841000.0 -0.91 3109039.146 -1070000.0 -1.11 -1.4307 -0.9952 3188896 PK04_102189 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J12 compound treatment 2671600.0 -1320000.0 -1.43 2796757.353 -1380000.0 -1.44 -2.0273 -1.0 3069744 PK04_102190 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J13 compound treatment 3081359.862 -910000.0 -0.99 3673359.322 -505000.0 -0.52 -1.0688 -0.9562 3188897 PK04_102191 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J14 compound treatment 3500518.644 -491000.0 -0.53 3712720.257 -465000.0 -0.48 -0.7185 -0.9988 3069746 PK04_102192 OCCOc1ccc(cc1)[C@@H](O)CC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J15 compound treatment 3455430.605 -536000.0 -0.58 3606435.54 -571000.0 -0.59 -0.8312 -0.9999 3069749 PK04_102193 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J16 compound treatment 2576792.308 -1410000.0 -1.53 3213669.014 -964000.0 -1.0 -1.7935 -0.9787 3188898 PK04_102194 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J17 compound treatment 3457869.258 -534000.0 -0.58 3707074.349 -471000.0 -0.49 -0.7554 -0.9965 3188899 PK04_102195 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J18 compound treatment 2654913.514 -1340000.0 -1.45 2948160.839 -1230000.0 -1.28 -1.9288 -0.998 3069504 PK04_102196 O[C@H](CC=C)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J19 compound treatment 3991485.507 -233.0 0.0 3624616.327 -553000.0 -0.58 -0.4069 -0.7074 3188900 PK04_102197 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J20 compound treatment 3363778.802 -628000.0 -0.68 3360019.231 -818000.0 -0.85 -1.0826 -0.9939 3069264 PK04_102198 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J21 mock treatment 3789937.282 -202000.0 -0.22 3692632.353 -485000.0 -0.5 -0.5114 -0.9301 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J22 mock treatment 3863087.912 -129000.0 -0.14 3992528.384 -185000.0 -0.19 -0.2349 -0.9874 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J23 compound treatment 3801923.077 -190000.0 -0.21 3803973.568 -374000.0 -0.39 -0.4204 -0.9558 3069786 PK04_102199 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 J24 compound treatment 3465702.703 -526000.0 -0.57 3594951.456 -583000.0 -0.61 -0.8318 -0.9995 3188901 PK04_102200 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K01 compound treatment 3647151.261 -345000.0 -0.37 3844902.222 -333000.0 -0.35 -0.5089 -0.9993 3069787 PK04_102201 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(CCO)nn2)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K02 compound treatment 3940419.811 -51300.0 -0.06 3804360.0 -374000.0 -0.39 -0.3139 -0.8002 3188902 PK04_102202 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K03 compound treatment 4096487.603 105000.0 0.11 4087028.571 -90900.0 -0.09 0.0135 0.0915 3188903 PK04_102203 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K04 compound treatment 4130732.394 139000.0 0.15 3874352.459 -304000.0 -0.32 -0.1165 -0.3333 3069790 PK04_102204 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K05 compound treatment 3813912.162 -178000.0 -0.19 4218054.902 40100.0 0.04 -0.1068 -0.5416 3188904 PK04_102205 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K06 compound treatment 3759673.152 -232000.0 -0.25 3651957.944 -526000.0 -0.55 -0.5645 -0.938 3189012 PK04_102206 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K07 mock treatment 4066623.482 74900.0 0.08 4039403.846 -139000.0 -0.14 -0.0444 -0.2685 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K08 mock treatment 4008059.925 16300.0 0.02 4056603.636 -121000.0 -0.13 -0.0766 -0.6018 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K09 compound treatment 3879948.207 -112000.0 -0.12 3861692.308 -316000.0 -0.33 -0.3181 -0.9081 3069821 PK04_102207 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K10 compound treatment 3822668.142 -169000.0 -0.18 4064974.545 -113000.0 -0.12 -0.2126 -0.9768 3189013 PK04_102208 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K11 compound treatment 3166641.304 -825000.0 -0.89 3213618.257 -964000.0 -1.0 -1.3413 -0.9984 3069825 PK04_102209 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K12 compound treatment 3563487.805 -428000.0 -0.46 3625319.066 -553000.0 -0.57 -0.7345 -0.9944 3189014 PK04_102210 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K13 compound treatment 4337708.904 346000.0 0.38 4487737.589 310000.0 0.32 0.493 0.9971 3189015 PK04_102211 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K14 compound treatment 3951952.381 -39800.0 -0.04 3847940.972 -330000.0 -0.34 -0.273 -0.7898 3069831 PK04_102212 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K15 mock treatment 4061538.217 69800.0 0.08 4416146.617 238000.0 0.25 0.2286 0.883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K16 mock treatment 4268724.409 277000.0 0.3 4599519.841 422000.0 0.44 0.5222 0.983 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K17 compound treatment 4206311.741 215000.0 0.23 3998780.172 -179000.0 -0.19 0.0329 0.1102 3189016 PK04_102213 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K18 compound treatment 4687394.495 696000.0 0.75 3914814.961 -263000.0 -0.27 0.34 0.4237 3069867 PK04_102214 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K19 compound treatment 4526018.939 534000.0 0.58 4295542.308 118000.0 0.12 0.4961 0.8379 3189017 PK04_102215 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K20 compound treatment 5254526.749 1260000.0 1.37 4599231.405 421000.0 0.44 1.2778 0.8889 3069873 PK04_102216 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K21 compound treatment 4626602.804 635000.0 0.69 4149358.333 -28600.0 -0.03 0.4658 0.676 3189018 PK04_102217 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K22 compound treatment 4804176.245 812000.0 0.88 4747434.783 570000.0 0.59 1.0415 0.9813 3189019 PK04_102218 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K23 mock treatment 4650868.932 659000.0 0.71 4760984.375 583000.0 0.61 0.9339 0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 K24 mock treatment 4557747.748 566000.0 0.61 4517576.037 340000.0 0.35 0.6836 0.9655 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L01 compound treatment 3566960.526 -425000.0 -0.46 3698070.652 -480000.0 -0.5 -0.6783 -0.9992 3069879 PK04_102219 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L02 compound treatment 4786133.065 794000.0 0.86 4936584.98 759000.0 0.79 1.1667 0.999 3189020 PK04_102220 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L03 compound treatment 5162645.914 1170000.0 1.27 4813411.765 635000.0 0.66 1.3648 0.9536 3189021 PK04_102221 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L04 compound treatment 5077629.63 1090000.0 1.18 5221038.462 1040000.0 1.08 1.5992 0.9992 3069907 PK04_102222 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L05 compound treatment 5245009.302 1250000.0 1.36 4894808.411 717000.0 0.75 1.4878 0.96 3189022 PK04_102223 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L06 compound treatment 3901200.873 -90500.0 -0.1 2755415.094 -1420000.0 -1.48 -1.1149 -0.7524 3069909 PK04_102224 C[C@@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L07 mock treatment 4746969.298 755000.0 0.82 4825932.489 648000.0 0.67 1.0553 0.9953 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L08 mock treatment 4760195.745 768000.0 0.83 4579850.34 402000.0 0.42 0.8846 0.949 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L09 compound treatment 3944772.908 -46900.0 -0.05 4187048.689 9120.0 0.01 -0.0293 -0.5658 3189023 PK04_102225 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L10 compound treatment 4624725.806 633000.0 0.69 4549657.795 372000.0 0.39 0.7585 0.9631 3069912 PK04_102226 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L11 compound treatment 4519138.462 527000.0 0.57 4740136.585 562000.0 0.58 0.8176 0.9999 3189024 PK04_102227 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L12 compound treatment 4005234.921 13500.0 0.01 4476377.698 298000.0 0.31 0.2297 0.7397 3069746 PK04_102228 OCCOc1ccc(cc1)[C@@H](O)CC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L13 compound treatment 4079688.797 88000.0 0.1 4010076.364 -168000.0 -0.17 -0.0559 -0.2812 3069917 PK04_102229 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L14 compound treatment 4066018.868 74300.0 0.08 4335240.602 157000.0 0.16 0.1726 0.9468 3069920 PK04_102230 O[C@@H](CC=C)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L15 mock treatment 4397356.618 406000.0 0.44 4573687.5 396000.0 0.41 0.6019 0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L16 mock treatment 4061445.902 69700.0 0.08 4490923.077 313000.0 0.33 0.2835 0.8488 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L17 compound treatment 4575506.329 584000.0 0.63 4429258.964 251000.0 0.26 0.6323 0.9234 3189025 PK04_102231 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L18 compound treatment 4202875.0 211000.0 0.23 4439403.509 261000.0 0.27 0.3541 0.9964 3069953 PK04_102232 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L19 compound treatment 4921946.36 930000.0 1.01 4388794.224 211000.0 0.22 0.8682 0.8411 3189026 PK04_102233 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L20 compound treatment 4911510.121 920000.0 1.0 4986094.697 808000.0 0.84 1.2992 0.9964 3069956 PK04_102234 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L21 compound treatment 4838855.172 847000.0 0.92 4308445.283 131000.0 0.14 0.7454 0.8028 3189027 PK04_102235 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L22 compound treatment 4709961.29 718000.0 0.78 4794136.929 616000.0 0.64 1.0036 0.9953 3069961 PK04_102236 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L23 mock treatment 4620250.0 629000.0 0.68 4616475.096 439000.0 0.46 0.8042 0.9809 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 L24 mock treatment 4391292.576 400000.0 0.43 4488888.393 311000.0 0.32 0.5349 0.9896 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M01 compound treatment 2629051.724 -1360000.0 -1.48 2196334.559 -1980000.0 -2.06 -2.5012 -0.9867 3069962 PK04_102237 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M02 compound treatment 3105592.982 -886000.0 -0.96 3307357.977 -871000.0 -0.9 -1.3192 -0.9996 3188628 PK04_102238 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M03 compound treatment 3078920.833 -913000.0 -0.99 3235294.118 -943000.0 -0.98 -1.3927 -1.0 3189028 PK04_102239 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M04 compound treatment 3397539.419 -594000.0 -0.64 3503052.0 -675000.0 -0.7 -0.9516 -0.9991 3189141 PK04_102240 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M05 compound treatment 3270225.0 -721000.0 -0.78 3100467.662 -1080000.0 -1.12 -1.3451 -0.9846 3069277 PK04_102241 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M06 compound treatment 3444333.333 -547000.0 -0.59 3419355.212 -759000.0 -0.79 -0.9772 -0.9902 3189142 PK04_102242 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M07 compound treatment 2680194.093 -1310000.0 -1.42 2887170.404 -1290000.0 -1.34 -1.9542 -0.9996 3189143 PK04_102243 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M08 compound treatment 3093448.029 -898000.0 -0.97 3233425.373 -945000.0 -0.98 -1.3829 -1.0 3069284 PK04_102244 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M09 mock treatment 3440244.361 -551000.0 -0.6 3548458.824 -629000.0 -0.65 -0.8855 -0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M10 mock treatment 3402662.745 -589000.0 -0.64 3615555.172 -562000.0 -0.58 -0.865 -0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M11 compound treatment 3710397.38 -281000.0 -0.31 3639209.22 -539000.0 -0.56 -0.6116 -0.9592 3189144 PK04_102245 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M12 compound treatment 3455661.13 -536000.0 -0.58 3497790.441 -680000.0 -0.71 -0.9109 -0.9953 3189145 PK04_102246 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M13 mock treatment 3257123.746 -735000.0 -0.8 3577825.503 -600000.0 -0.62 -1.0043 -0.9927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M14 mock treatment 3418404.682 -573000.0 -0.62 3861735.683 -316000.0 -0.33 -0.672 -0.9556 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M15 compound treatment 3745781.132 -246000.0 -0.27 3891571.429 -286000.0 -0.3 -0.399 -0.9985 3189146 PK04_102247 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M16 compound treatment 3494821.053 -497000.0 -0.54 3440186.567 -738000.0 -0.77 -0.9232 -0.9851 3189147 PK04_102248 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M17 compound treatment 3432302.419 -559000.0 -0.61 3539667.883 -638000.0 -0.66 -0.898 -0.999 3069327 PK04_102249 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M18 compound treatment 3652413.793 -339000.0 -0.37 3751379.913 -427000.0 -0.44 -0.5736 -0.9957 3189148 PK04_102250 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M19 compound treatment 3761739.316 -230000.0 -0.25 3438393.822 -740000.0 -0.77 -0.7199 -0.8908 3069330 PK04_102251 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M20 compound treatment 3916878.378 -74800.0 -0.08 3869850.806 -308000.0 -0.32 -0.2838 -0.8591 3189149 PK04_102252 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M21 compound treatment 3850696.581 -141000.0 -0.15 3720061.947 -458000.0 -0.48 -0.4446 -0.8895 3189150 PK04_102253 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M22 compound treatment 3564131.944 -428000.0 -0.46 3994151.02 -184000.0 -0.19 -0.4629 -0.9232 3189151 PK04_102254 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M23 compound treatment 3233849.785 -758000.0 -0.82 3249892.683 -928000.0 -0.96 -1.2631 -0.9968 3189152 PK04_102255 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 M24 compound treatment 3310225.564 -681000.0 -0.74 3408919.355 -769000.0 -0.8 -1.0877 -0.9992 3069375 PK04_102256 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N01 compound treatment 3086228.682 -905000.0 -0.98 3344197.115 -834000.0 -0.87 -1.307 -0.9981 3189153 PK04_102257 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N02 compound treatment 3662429.15 -329000.0 -0.36 4178059.361 126.0 0.0 -0.2524 -0.7068 3069379 PK04_102258 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N03 compound treatment 4119698.347 128000.0 0.14 3956084.821 -222000.0 -0.23 -0.0649 -0.2413 3189154 PK04_102259 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N04 compound treatment 4264927.35 273000.0 0.3 4202004.255 24100.0 0.03 0.2272 0.7641 3069716 PK04_102260 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N05 compound treatment 4162631.356 171000.0 0.19 4169415.966 -8520.0 -0.01 0.1248 0.6726 3069403 PK04_102261 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N06 compound treatment 4335053.571 343000.0 0.37 4554647.619 377000.0 0.39 0.5401 0.9997 3069417 PK04_102262 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N07 compound treatment 3754129.167 -238000.0 -0.26 3965928.87 -212000.0 -0.22 -0.338 -0.997 3189155 PK04_102263 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N08 compound treatment 3522168.0 -470000.0 -0.51 3682715.447 -495000.0 -0.51 -0.724 -1.0 3069421 PK04_102264 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N09 mock treatment 4234703.704 243000.0 0.26 4560045.662 382000.0 0.4 0.4671 0.9801 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N10 mock treatment 4206266.667 215000.0 0.23 4332700.855 155000.0 0.16 0.2782 0.9838 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N11 compound treatment 3455467.181 -536000.0 -0.58 3311007.968 -867000.0 -0.9 -1.0483 -0.9775 3189156 PK04_102265 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N12 compound treatment 3511694.737 -480000.0 -0.52 3589376.923 -589000.0 -0.61 -0.8006 -0.9968 3069424 PK04_102266 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N13 mock treatment 3812871.681 -179000.0 -0.19 3955439.462 -222000.0 -0.23 -0.3006 -0.9962 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N14 mock treatment 4122804.167 131000.0 0.14 4137109.023 -40800.0 -0.04 0.0705 0.4753 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N15 compound treatment 3614079.167 -378000.0 -0.41 3673874.477 -504000.0 -0.52 -0.66 -0.9926 3189268 PK04_102267 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N16 compound treatment 3615023.973 -377000.0 -0.41 3984182.573 -194000.0 -0.2 -0.4312 -0.9469 3069404 PK04_102268 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N17 compound treatment 3828678.261 -163000.0 -0.18 3993511.848 -184000.0 -0.19 -0.2605 -0.9992 3069428 PK04_102269 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N18 compound treatment 3825802.768 -166000.0 -0.18 3368203.077 -810000.0 -0.84 -0.7223 -0.8393 3189269 PK04_102270 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N19 compound treatment 3737844.765 -254000.0 -0.28 3718517.007 -459000.0 -0.48 -0.5323 -0.9658 3070277 PK04_102271 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N20 compound treatment 3969122.53 -22600.0 -0.02 3805196.078 -373000.0 -0.39 -0.2913 -0.7503 3069270 PK04_102272 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N21 compound treatment 3872180.812 -120000.0 -0.13 3852068.441 -326000.0 -0.34 -0.3312 -0.9131 3070278 PK04_102273 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N22 compound treatment 2965283.333 -1030000.0 -1.11 3346015.48 -832000.0 -0.86 -1.3984 -0.9922 3070279 PK04_102274 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N23 compound treatment 4073955.823 82200.0 0.09 3852696.203 -325000.0 -0.34 -0.176 -0.5034 3070280 PK04_102275 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 N24 compound treatment 3525423.221 -466000.0 -0.51 3016536.232 -1160000.0 -1.21 -1.2111 -0.9254 3189270 PK04_102276 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O01 compound treatment 3137068.182 -855000.0 -0.93 3083818.548 -1090000.0 -1.14 -1.4594 -0.9948 3189271 PK04_102277 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O02 compound treatment 3445859.922 -546000.0 -0.59 3291693.798 -886000.0 -0.92 -1.0699 -0.9771 3070281 PK04_102278 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O03 compound treatment 3746896.296 -245000.0 -0.27 4061098.291 -117000.0 -0.12 -0.2736 -0.9372 3189272 PK04_102279 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O04 compound treatment 3723306.667 -268000.0 -0.29 3399471.366 -778000.0 -0.81 -0.7779 -0.9047 3189273 PK04_102280 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O05 compound treatment 3233110.526 -759000.0 -0.82 2768786.765 -1410000.0 -1.46 -1.6173 -0.9628 3070282 PK04_102281 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O06 compound treatment 3388416.667 -603000.0 -0.65 3606126.761 -572000.0 -0.59 -0.8828 -0.9989 3189274 PK04_102282 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O07 compound treatment 3426905.325 -565000.0 -0.61 3346540.816 -831000.0 -0.86 -1.0441 -0.9858 3070283 PK04_102283 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O08 compound treatment 3694276.265 -297000.0 -0.32 3940099.567 -238000.0 -0.25 -0.4028 -0.9914 3189275 PK04_102284 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O09 compound treatment 3670512.563 -321000.0 -0.35 3977184.834 -201000.0 -0.21 -0.3938 -0.97 3189276 PK04_102285 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O10 compound treatment 3905483.471 -86200.0 -0.09 4203415.02 25500.0 0.03 -0.0474 -0.4876 3070284 PK04_102286 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O11 mock treatment 4540684.825 549000.0 0.6 4731406.639 553000.0 0.58 0.8277 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O12 mock treatment 4259205.761 267000.0 0.29 4369293.839 191000.0 0.2 0.3457 0.9831 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O13 compound treatment 4570736.364 579000.0 0.63 4764449.495 587000.0 0.61 0.875 0.9999 3189277 PK04_102287 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4ccccc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O14 compound treatment 4359849.741 368000.0 0.4 4678913.043 501000.0 0.52 0.6505 0.9914 3189278 PK04_102288 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O15 compound treatment 3958256.158 -33500.0 -0.04 3939630.137 -238000.0 -0.25 -0.2008 -0.8021 3070285 PK04_102289 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O16 compound treatment 4596325.472 605000.0 0.66 4711362.745 533000.0 0.55 0.8556 0.9965 3189279 PK04_102290 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O17 compound treatment 4410375.0 419000.0 0.45 4091704.433 -86200.0 -0.09 0.2576 0.5567 3070286 PK04_102291 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O18 compound treatment 4143556.962 152000.0 0.16 4263142.157 85200.0 0.09 0.179 0.9577 3189280 PK04_102292 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O19 compound treatment 4078014.76 86300.0 0.09 4143703.297 -34200.0 -0.04 0.041 0.4096 3189281 PK04_102293 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O20 compound treatment 4176718.182 185000.0 0.2 4416574.163 239000.0 0.25 0.3172 0.9945 3070287 PK04_102294 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O21 compound treatment 3805199.248 -187000.0 -0.2 3799821.138 -378000.0 -0.39 -0.4209 -0.9523 3189282 PK04_102295 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O22 compound treatment 3528453.441 -463000.0 -0.5 3681619.048 -496000.0 -0.52 -0.72 -0.9999 3070288 PK04_102296 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O23 compound treatment 3481986.607 -510000.0 -0.55 3617000.0 -561000.0 -0.58 -0.8031 -0.9996 3189283 PK04_102297 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 O24 compound treatment 3131449.153 -860000.0 -0.93 3318673.387 -859000.0 -0.89 -1.2911 -0.9998 3189284 PK04_102298 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P01 compound treatment 2749792.642 -1240000.0 -1.35 2753224.335 -1420000.0 -1.48 -1.9993 -0.9989 3070289 PK04_102299 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P02 compound treatment 3352107.57 -640000.0 -0.69 3538411.111 -640000.0 -0.66 -0.9604 -0.9998 3069953 PK04_102300 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P03 compound treatment 3916447.619 -75300.0 -0.08 2748372.624 -1430000.0 -1.49 -1.1084 -0.7448 3189285 PK04_102301 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P04 compound treatment 3145615.023 -846000.0 -0.92 3366776.256 -811000.0 -0.84 -1.2449 -0.9991 3070290 PK04_102302 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P05 compound treatment 3178356.164 -813000.0 -0.88 3663281.938 -515000.0 -0.53 -1.0019 -0.9713 3189394 PK04_102303 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P06 compound treatment 4089012.987 97300.0 0.11 4231575.63 53600.0 0.06 0.114 0.9556 3069907 PK04_102304 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P07 compound treatment 3576277.533 -415000.0 -0.45 3785594.828 -392000.0 -0.41 -0.6069 -0.9988 3189395 PK04_102305 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P08 compound treatment 3748382.222 -243000.0 -0.26 3853730.29 -324000.0 -0.34 -0.4248 -0.9927 3069314 PK04_102306 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P09 compound treatment 3799740.741 -192000.0 -0.21 3981069.388 -197000.0 -0.2 -0.2919 -1.0 3070291 PK04_102307 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P10 compound treatment 3295765.69 -696000.0 -0.75 3809931.452 -368000.0 -0.38 -0.8041 -0.9504 3189396 PK04_102308 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P11 mock treatment 4039497.797 47800.0 0.05 4283906.383 106000.0 0.11 0.1145 0.9408 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P12 mock treatment 4240206.573 248000.0 0.27 3864983.539 -313000.0 -0.33 -0.0395 -0.0935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P13 compound treatment 3948453.39 -43300.0 -0.05 3807352.0 -371000.0 -0.39 -0.3055 -0.7874 3189397 PK04_102309 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P14 compound treatment 3773320.93 -218000.0 -0.24 3841213.71 -337000.0 -0.35 -0.4149 -0.9819 3070292 PK04_102310 OCCOc1ccc(cc1)[C@H](O)CC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P15 compound treatment 3736601.81 -255000.0 -0.28 3792564.394 -385000.0 -0.4 -0.4788 -0.9837 3070293 PK04_102311 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P16 compound treatment 3791387.597 -200000.0 -0.22 4037548.387 -140000.0 -0.15 -0.2568 -0.9813 3070292 PK04_102312 OCCOc1ccc(cc1)[C@H](O)CC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P17 compound treatment 3401090.909 -591000.0 -0.64 3998757.282 -179000.0 -0.19 -0.5845 -0.8764 3189398 PK04_102313 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P18 compound treatment 3348307.143 -643000.0 -0.7 3558008.333 -620000.0 -0.64 -0.9489 -0.9992 3070294 PK04_102314 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P19 compound treatment 3453163.636 -539000.0 -0.58 3583418.831 -595000.0 -0.62 -0.8499 -0.9996 3189399 PK04_102315 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P20 compound treatment 2741486.792 -1250000.0 -1.36 2795328.571 -1380000.0 -1.44 -1.9747 -0.9996 3070290 PK04_102316 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P21 compound treatment 3215639.731 -776000.0 -0.84 3168814.815 -1010000.0 -1.05 -1.3367 -0.994 3189400 PK04_102317 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P22 compound treatment 2970423.676 -1020000.0 -1.11 3055250.0 -1120000.0 -1.17 -1.6082 -0.9997 3070295 PK04_102318 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P23 compound treatment 3015707.031 -976000.0 -1.06 3192010.309 -986000.0 -1.02 -1.4729 -0.9999 3189401 PK04_102319 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2102 P24 compound treatment 3214378.378 -777000.0 -0.84 2931957.895 -1250000.0 -1.3 -1.5117 -0.9784 3414053 PK04_102320 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A01 compound treatment 3193893.281 -928000.0 -1.01 2484041.522 -1140000.0 -1.19 -1.552 -0.9966 3070297 PK04_103001 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A02 compound treatment 3080916.0 -1040000.0 -1.13 2599525.478 -1030000.0 -1.07 -1.5538 -0.9996 3189402 PK04_103002 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A03 compound treatment 3046162.866 -1080000.0 -1.17 3006290.043 -621000.0 -0.65 -1.2814 -0.9611 3070298 PK04_103003 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A04 compound treatment 3359003.759 -763000.0 -0.83 3146158.333 -481000.0 -0.5 -0.9388 -0.971 3189403 PK04_103004 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A05 compound treatment 3524602.679 -597000.0 -0.65 3041372.694 -586000.0 -0.61 -0.8888 -0.9995 3070299 PK04_103005 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A06 compound treatment 3276279.245 -846000.0 -0.92 2729316.265 -898000.0 -0.93 -1.3086 -1.0 3189404 PK04_103006 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccc(OCCO)cc3)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A07 compound treatment 3602199.134 -520000.0 -0.56 2956600.0 -671000.0 -0.7 -0.8917 -0.9944 3070300 PK04_103007 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A08 compound treatment 2825268.212 -1300000.0 -1.41 2684111.888 -943000.0 -0.98 -1.6876 -0.9845 3189405 PK04_103008 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A09 compound treatment 3204696.356 -917000.0 -0.99 3055528.0 -572000.0 -0.59 -1.1237 -0.9697 3189406 PK04_103009 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A10 compound treatment 3296911.215 -825000.0 -0.89 3163150.376 -464000.0 -0.48 -0.9739 -0.9581 3070355 PK04_103010 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A11 compound treatment 3705119.266 -417000.0 -0.45 3389104.089 -238000.0 -0.25 -0.4949 -0.96 3189407 PK04_103011 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A12 compound treatment 3699344.186 -423000.0 -0.46 3118778.656 -509000.0 -0.53 -0.698 -0.9975 3189408 PK04_103012 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccc(CO)o2)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A13 mock treatment 3942514.644 -179000.0 -0.19 3335803.704 -292000.0 -0.3 -0.352 -0.977 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A14 mock treatment 3914593.22 -207000.0 -0.22 3575099.099 -52400.0 -0.05 -0.1976 -0.8538 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A15 compound treatment 3424630.952 -697000.0 -0.76 3055342.105 -572000.0 -0.59 -0.9552 -0.9929 3070356 PK04_103013 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A16 compound treatment 3610780.591 -511000.0 -0.55 3258751.773 -369000.0 -0.38 -0.663 -0.9838 3189409 PK04_103014 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A17 compound treatment 3765858.491 -356000.0 -0.39 3611376.744 -16200.0 -0.02 -0.2849 -0.7372 3070357 PK04_103015 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A18 compound treatment 3857882.096 -264000.0 -0.29 3540417.293 -87100.0 -0.09 -0.2665 -0.8874 3189410 PK04_103016 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A19 compound treatment 3767158.14 -355000.0 -0.38 3146649.254 -481000.0 -0.5 -0.6255 -0.9916 3070358 PK04_103017 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A20 compound treatment 3806933.962 -315000.0 -0.34 3460806.867 -167000.0 -0.17 -0.3641 -0.9505 3189411 PK04_103018 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A21 compound treatment 3567330.677 -555000.0 -0.6 3357389.078 -270000.0 -0.28 -0.6238 -0.9399 3070359 PK04_103019 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A22 compound treatment 3605139.64 -517000.0 -0.56 3004512.456 -623000.0 -0.65 -0.8542 -0.9974 3189412 PK04_103020 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A23 compound treatment 3904439.655 -218000.0 -0.24 2908352.941 -719000.0 -0.75 -0.6954 -0.8871 3070360 PK04_103021 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 A24 compound treatment 3529046.931 -593000.0 -0.64 2775144.404 -852000.0 -0.89 -1.0811 -0.9876 3189413 PK04_103022 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B01 compound treatment 3573799.228 -548000.0 -0.59 2905897.059 -722000.0 -0.75 -0.9507 -0.9934 3189525 PK04_103023 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B02 compound treatment 3682672.269 -439000.0 -0.48 3202047.17 -425000.0 -0.44 -0.6496 -0.9993 3070361 PK04_103024 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B03 compound treatment 3952095.42 -170000.0 -0.18 3951971.545 324000.0 0.34 0.1082 0.2815 3189526 PK04_103025 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B04 compound treatment 4072037.313 -50000.0 -0.05 3226860.14 -401000.0 -0.42 -0.3328 -0.7924 3189527 PK04_103026 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B05 compound treatment 4156656.78 34700.0 0.04 3632783.972 5250.0 0.01 0.0304 0.8013 3070362 PK04_103027 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B06 compound treatment 3933441.176 -189000.0 -0.2 3418350.0 -209000.0 -0.22 -0.2983 -0.9995 3189528 PK04_103028 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B07 compound treatment 3881913.858 -240000.0 -0.26 3620566.553 -6970.0 -0.01 -0.1892 -0.7265 3070363 PK04_103029 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B08 compound treatment 4246412.621 124000.0 0.13 3537425.703 -90100.0 -0.09 0.0292 0.1775 3189529 PK04_103030 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3c5ccc(CO)cc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B09 compound treatment 4199418.719 77400.0 0.08 4350612.745 723000.0 0.75 0.5908 0.7812 3189530 PK04_103031 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B10 compound treatment 4191949.153 69900.0 0.08 3951727.273 324000.0 0.34 0.2919 0.8451 3070364 PK04_103032 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4ccc(CN5CCCC5)cc4)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B11 compound treatment 4074916.0 -47100.0 -0.05 3757723.849 130000.0 0.14 0.0596 0.412 3189531 PK04_103033 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B12 compound treatment 4122870.192 865.0 0.0 3656563.025 29000.0 0.03 0.022 0.7287 3189532 PK04_103034 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B13 mock treatment 4218315.789 96300.0 0.1 3945966.102 318000.0 0.33 0.3079 0.8871 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B14 mock treatment 4051484.018 -70500.0 -0.08 3706834.677 79300.0 0.08 0.0042 0.0375 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B15 compound treatment 4164808.594 42800.0 0.05 3951582.609 324000.0 0.34 0.271 0.797 3070365 PK04_103035 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B16 compound treatment 4305184.1 183000.0 0.2 3610988.55 -16500.0 -0.02 0.1283 0.6435 3189533 PK04_103036 CC1C=C(CCCO)C/C(=N/P(=O)(Oc2ccccc2)Oc3ccccc3)/N1Cc4cccc(OC(F)(F)F)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B17 compound treatment 4306834.677 185000.0 0.2 3584225.694 -43300.0 -0.05 0.1099 0.5349 3070366 PK04_103037 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B18 compound treatment 3967755.556 -154000.0 -0.17 3530653.386 -96900.0 -0.1 -0.1895 -0.9705 3189534 PK04_103038 CN1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B19 compound treatment 4146644.068 24600.0 0.03 3495444.043 -132000.0 -0.14 -0.0782 -0.559 3189535 PK04_103039 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B20 compound treatment 4419334.862 297000.0 0.32 3806359.649 179000.0 0.19 0.3594 0.9658 3070367 PK04_103040 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B21 compound treatment 3831750.0 -290000.0 -0.31 3319655.431 -308000.0 -0.32 -0.4488 -1.0 3189536 PK04_103041 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B22 compound treatment 3790564.706 -331000.0 -0.36 3581130.802 -46400.0 -0.05 -0.2882 -0.7949 3189537 PK04_103042 CN1C(=O)C2C(C3C(N(C)C2C=C3c4ccc(CO)cc4)c5cccs5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B23 compound treatment 4220107.843 98100.0 0.11 3567500.0 -60000.0 -0.06 0.0311 0.2521 3070368 PK04_103043 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 B24 compound treatment 3860733.84 -261000.0 -0.28 2881187.5 -746000.0 -0.78 -0.7489 -0.9068 3189538 PK04_103044 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C01 compound treatment 2986583.658 -1140000.0 -1.23 2966709.804 -661000.0 -0.69 -1.3562 -0.962 3070369 PK04_103045 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C02 compound treatment 3829035.857 -293000.0 -0.32 2974103.846 -653000.0 -0.68 -0.7049 -0.9401 3189539 PK04_103046 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C03 compound treatment 3684098.712 -438000.0 -0.47 2982674.074 -645000.0 -0.67 -0.8097 -0.9857 3189540 PK04_103047 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C04 compound treatment 4066353.448 -55700.0 -0.06 3326425.856 -301000.0 -0.31 -0.264 -0.8282 3070370 PK04_103048 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C05 compound treatment 3685193.133 -437000.0 -0.47 3151169.421 -476000.0 -0.5 -0.685 -0.9998 3189541 PK04_103049 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C06 compound treatment 3654472.325 -468000.0 -0.51 3295471.483 -332000.0 -0.35 -0.6025 -0.9824 3189542 PK04_103050 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C07 compound treatment 3913729.73 -208000.0 -0.23 3009454.545 -618000.0 -0.64 -0.614 -0.9016 3070371 PK04_103051 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C08 compound treatment 3584615.942 -537000.0 -0.58 3457300.926 -170000.0 -0.18 -0.5371 -0.8821 3189543 PK04_103052 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccc(CO)o3)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C09 compound treatment 3977994.186 -144000.0 -0.16 3526530.055 -101000.0 -0.1 -0.1847 -0.9813 3070372 PK04_103053 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C10 compound treatment 4038912.371 -83100.0 -0.09 4025866.953 398000.0 0.41 0.2291 0.5406 3189544 PK04_103054 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C11 mock treatment 4277894.273 156000.0 0.17 3724742.616 97200.0 0.1 0.191 0.9697 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C12 mock treatment 4070176.19 -51800.0 -0.06 3967625.592 340000.0 0.35 0.2102 0.5873 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C13 compound treatment 4200141.593 78100.0 0.08 3975482.301 348000.0 0.36 0.3156 0.8497 3189545 PK04_103055 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C14 compound treatment 3853768.34 -268000.0 -0.29 3380609.489 -247000.0 -0.26 -0.3871 -0.9981 3189546 PK04_103056 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C15 mock treatment 4401375.0 279000.0 0.3 3368551.02 -259000.0 -0.27 0.0238 0.0588 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C16 mock treatment 4057964.602 -64000.0 -0.07 3519488.789 -108000.0 -0.11 -0.1285 -0.9733 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C17 compound treatment 4184331.754 62300.0 0.07 3152642.857 -475000.0 -0.49 -0.3013 -0.6047 3070427 PK04_103057 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C18 compound treatment 4423383.085 301000.0 0.33 3417091.667 -210000.0 -0.22 0.0764 0.1943 3189660 PK04_103058 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C19 compound treatment 4283503.937 161000.0 0.18 3788270.833 161000.0 0.17 0.242 0.9997 3070428 PK04_103059 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C20 compound treatment 4026726.852 -95300.0 -0.1 3498204.444 -129000.0 -0.13 -0.1681 -0.9915 3189661 PK04_103060 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C21 compound treatment 4121425.234 -580.0 0.0 3754137.5 127000.0 0.13 0.0926 0.7037 3189662 PK04_103061 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C22 compound treatment 4490405.172 368000.0 0.4 3527606.481 -99900.0 -0.1 0.209 0.5064 3070429 PK04_103062 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C23 compound treatment 3451147.727 -671000.0 -0.73 3467888.889 -160000.0 -0.17 -0.6317 -0.8467 3189663 PK04_103063 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 C24 compound treatment 3461973.333 -660000.0 -0.72 2864860.714 -763000.0 -0.79 -1.0666 -0.9987 3189664 PK04_103064 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3cccc(OCCO)c3)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D01 compound treatment 2559615.625 -1560000.0 -1.69 2885442.149 -742000.0 -0.77 -1.7433 -0.9366 3070430 PK04_103065 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D02 compound treatment 3336355.649 -786000.0 -0.85 3278165.138 -349000.0 -0.36 -0.8591 -0.9278 3189665 PK04_103066 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5ccc(CN6CCCC6)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D03 compound treatment 3272546.218 -849000.0 -0.92 3173373.444 -454000.0 -0.47 -0.9851 -0.9518 3070431 PK04_103067 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D04 compound treatment 3737126.087 -385000.0 -0.42 3303076.305 -324000.0 -0.34 -0.5336 -0.9944 3189666 PK04_103068 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D05 compound treatment 3201017.921 -921000.0 -1.0 3717155.039 89600.0 0.09 -0.6402 -0.6384 3189667 PK04_103069 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D06 compound treatment 3464043.478 -658000.0 -0.71 3230059.925 -397000.0 -0.41 -0.7966 -0.9663 3189668 PK04_103070 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D07 compound treatment 3680438.017 -442000.0 -0.48 3509221.757 -118000.0 -0.12 -0.4255 -0.8608 3070432 PK04_103071 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D08 compound treatment 3469748.837 -652000.0 -0.71 2830862.595 -797000.0 -0.83 -1.0856 -0.9969 3189669 PK04_103072 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D09 compound treatment 3560408.451 -562000.0 -0.61 2967582.418 -660000.0 -0.69 -0.9156 -0.9982 3070433 PK04_103073 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D10 compound treatment 3645606.742 -476000.0 -0.52 3115988.764 -512000.0 -0.53 -0.7412 -0.9999 3189670 PK04_103074 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D11 mock treatment 3627434.426 -495000.0 -0.54 3460104.167 -167000.0 -0.17 -0.5022 -0.8909 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D12 mock treatment 3692296.296 -430000.0 -0.47 3685676.856 58100.0 0.06 -0.2867 -0.6103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D13 compound treatment 3498126.984 -624000.0 -0.68 3522710.744 -105000.0 -0.11 -0.5554 -0.8106 3189671 PK04_103075 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D14 compound treatment 3688471.366 -434000.0 -0.47 2969030.405 -659000.0 -0.68 -0.8164 -0.9832 3070434 PK04_103076 NC(=O)N1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D15 mock treatment 3670141.631 -452000.0 -0.49 2916084.459 -711000.0 -0.74 -0.8693 -0.98 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D16 mock treatment 4052671.717 -69300.0 -0.08 3382331.034 -245000.0 -0.25 -0.2334 -0.8783 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D17 compound treatment 3982228.571 -140000.0 -0.15 2956456.79 -671000.0 -0.7 -0.6004 -0.8411 3189672 PK04_103077 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D18 compound treatment 2938124.555 -1180000.0 -1.28 2752106.312 -875000.0 -0.91 -1.5511 -0.9858 3189673 PK04_103078 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D19 compound treatment 3139210.702 -983000.0 -1.07 3143025.455 -485000.0 -0.5 -1.1096 -0.9414 3070435 PK04_103079 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D20 compound treatment 3462052.209 -660000.0 -0.72 3064020.325 -564000.0 -0.59 -0.9202 -0.9951 3189674 PK04_103080 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)CC2)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D21 compound treatment 3402046.263 -720000.0 -0.78 3437824.561 -190000.0 -0.2 -0.6914 -0.8588 3189675 PK04_103081 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D22 compound treatment 3358632.231 -763000.0 -0.83 3525000.0 -103000.0 -0.11 -0.6606 -0.7916 3070436 PK04_103082 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D23 compound treatment 3242146.758 -880000.0 -0.95 3069822.63 -558000.0 -0.58 -1.0845 -0.9715 3189676 PK04_103083 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 D24 compound treatment 3227599.291 -894000.0 -0.97 2755158.451 -872000.0 -0.91 -1.3269 -0.9994 3070437 PK04_103084 CN1CCC(=CC1C2CC2)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E01 mock treatment 3570877.193 -551000.0 -0.6 3021569.17 -606000.0 -0.63 -0.8679 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E02 mock treatment 3530992.701 -591000.0 -0.64 3432167.91 -195000.0 -0.2 -0.5967 -0.8877 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E03 compound treatment 4066675.799 -55300.0 -0.06 3848815.126 221000.0 0.23 0.1202 0.5057 3189677 PK04_103085 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E04 compound treatment 3854721.254 -267000.0 -0.29 4250569.507 623000.0 0.65 0.253 0.3566 3070438 PK04_103086 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E05 compound treatment 3979049.43 -143000.0 -0.16 3886339.286 259000.0 0.27 0.0806 0.2596 3189678 PK04_103087 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E06 compound treatment 3893782.748 -228000.0 -0.25 3683476.923 55900.0 0.06 -0.1339 -0.5266 3189679 PK04_103088 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E07 compound treatment 3881350.211 -241000.0 -0.26 3408612.04 -219000.0 -0.23 -0.3454 -0.9977 3189680 PK04_103089 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E08 compound treatment 4552894.958 431000.0 0.47 3563000.0 -64500.0 -0.07 0.2829 0.5994 3070490 PK04_103090 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E09 mock treatment 4539234.513 417000.0 0.45 3487344.13 -140000.0 -0.15 0.2168 0.4563 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E10 mock treatment 4425233.333 303000.0 0.33 3658948.113 31400.0 0.03 0.2556 0.7735 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E11 compound treatment 3565715.447 -556000.0 -0.6 3214764.103 -413000.0 -0.43 -0.7299 -0.9861 3187704 PK04_103091 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E12 compound treatment 4594901.869 473000.0 0.51 3750257.009 123000.0 0.13 0.4528 0.8569 3070491 PK04_103092 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E13 compound treatment 3822333.333 -300000.0 -0.32 3198386.139 -429000.0 -0.45 -0.5452 -0.9879 3187705 PK04_103093 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E14 compound treatment 4346623.482 225000.0 0.24 3786866.667 159000.0 0.17 0.2893 0.9823 3187706 PK04_103094 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E15 compound treatment 3723368.182 -399000.0 -0.43 3065615.094 -562000.0 -0.58 -0.7186 -0.989 3070492 PK04_103095 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E16 compound treatment 4922805.085 801000.0 0.87 3956623.256 329000.0 0.34 0.8558 0.9171 3187707 PK04_103096 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E17 mock treatment 4996385.787 874000.0 0.95 4026309.623 399000.0 0.41 0.9635 0.9311 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E18 mock treatment 4433460.177 311000.0 0.34 4104542.636 477000.0 0.5 0.5894 0.9825 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E19 compound treatment 5135619.318 1010000.0 1.1 4182972.527 555000.0 0.58 1.1854 0.9548 3070493 PK04_103097 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E20 compound treatment 4898435.78 776000.0 0.84 3925927.273 298000.0 0.31 0.8146 0.908 3187708 PK04_103098 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E21 compound treatment 5002767.327 881000.0 0.95 3948076.305 321000.0 0.33 0.9109 0.9006 3187709 PK04_103099 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E22 compound treatment 5192079.602 1070000.0 1.16 3854703.252 227000.0 0.24 0.9874 0.8339 3070494 PK04_103100 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E23 compound treatment 4206490.421 84500.0 0.09 4063803.279 436000.0 0.45 0.3854 0.8331 3187710 PK04_103101 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 E24 compound treatment 4196362.445 74400.0 0.08 3934028.169 306000.0 0.32 0.2823 0.859 3187711 PK04_103102 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F01 mock treatment 3572423.256 -550000.0 -0.6 3355827.273 -272000.0 -0.28 -0.6211 -0.9418 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F02 mock treatment 4184761.905 62800.0 0.07 3822586.854 195000.0 0.2 0.1915 0.8953 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F03 compound treatment 4323907.258 202000.0 0.22 3882553.719 255000.0 0.27 0.3422 0.9955 3070495 PK04_103103 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F04 compound treatment 4094572.115 -27400.0 -0.03 3575757.447 -51800.0 -0.05 -0.0591 -0.9609 3187712 PK04_103104 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F05 compound treatment 3747963.71 -374000.0 -0.41 3489107.692 -138000.0 -0.14 -0.3885 -0.9028 3070496 PK04_103105 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F06 compound treatment 4223896.552 102000.0 0.11 3631170.94 3630.0 0.0 0.0808 0.7308 3187713 PK04_103106 CN1C(C2CC2)C3C4C(C1C=C3c5ccc(CO)cc5)C(=O)N(C(=O)N)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F07 compound treatment 4186297.619 64300.0 0.07 3703681.416 76100.0 0.08 0.1053 0.998 3070497 PK04_103107 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F08 compound treatment 4011114.894 -111000.0 -0.12 3222016.598 -406000.0 -0.42 -0.3831 -0.8739 3187714 PK04_103108 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F09 mock treatment 4167468.254 45500.0 0.05 3437380.952 -190000.0 -0.2 -0.1049 -0.515 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F10 mock treatment 4355859.091 234000.0 0.25 3364470.588 -263000.0 -0.27 -0.0141 -0.0377 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F11 compound treatment 4829330.049 707000.0 0.77 3508441.558 -119000.0 -0.12 0.4548 0.5854 3187715 PK04_103109 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F12 compound treatment 4078852.321 -43200.0 -0.05 3142349.81 -485000.0 -0.5 -0.3897 -0.7694 3070498 PK04_103110 CC1C=C(CCCO)CCN1Cc2cccc(OC(F)(F)F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F13 compound treatment 4224794.326 103000.0 0.11 3418035.433 -210000.0 -0.22 -0.0752 -0.3073 3187716 PK04_103111 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F14 compound treatment 3780900.383 -341000.0 -0.37 3209904.943 -418000.0 -0.43 -0.5685 -0.9968 3070499 PK04_103112 CN1CCC(=CC1c2cccs2)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F15 compound treatment 4360750.0 239000.0 0.26 3474951.22 -153000.0 -0.16 0.0709 0.2335 3187717 PK04_103113 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F16 compound treatment 3992675.214 -129000.0 -0.14 3318884.17 -309000.0 -0.32 -0.326 -0.9311 3187718 PK04_103114 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F17 mock treatment 3834450.331 -288000.0 -0.31 3084562.701 -543000.0 -0.56 -0.6195 -0.9609 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F18 mock treatment 4284990.148 163000.0 0.18 3531568.966 -96000.0 -0.1 0.0544 0.2682 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F19 compound treatment 4963405.128 841000.0 0.91 3629585.821 2050.0 0.0 0.6466 0.7088 3070500 PK04_103115 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F20 compound treatment 4297136.752 175000.0 0.19 3370357.977 -257000.0 -0.27 -0.0547 -0.167 3187719 PK04_103116 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)CC1)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F21 compound treatment 3985362.989 -137000.0 -0.15 3278832.714 -349000.0 -0.36 -0.3611 -0.9221 3070501 PK04_103117 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F22 compound treatment 3780891.051 -341000.0 -0.37 3095956.349 -532000.0 -0.55 -0.6522 -0.9809 3187720 PK04_103118 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)CC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F23 compound treatment 4157501.792 35500.0 0.04 3694817.241 67300.0 0.07 0.0767 0.9604 3187721 PK04_103119 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 F24 compound treatment 3874774.059 -247000.0 -0.27 3450880.597 -177000.0 -0.18 -0.3194 -0.983 3070502 PK04_103120 CN1C(C2C3C(C1C=C2c4ccc(CO)cc4)C(=O)N(C(=O)N)C3=O)c5cccs5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G01 compound treatment 2735686.695 -1390000.0 -1.5 2591229.73 -1040000.0 -1.08 -1.8245 -0.9866 3187722 PK04_103121 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G02 compound treatment 3598349.835 -524000.0 -0.57 3346123.016 -281000.0 -0.29 -0.6083 -0.9524 3187723 PK04_103122 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G03 mock treatment 3635025.362 -487000.0 -0.53 3526296.578 -101000.0 -0.11 -0.4478 -0.8317 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G04 mock treatment 4177367.713 55400.0 0.06 3442846.715 -185000.0 -0.19 -0.0933 -0.4639 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G05 compound treatment 3234535.316 -887000.0 -0.96 2979114.407 -648000.0 -0.67 -1.157 -0.9848 3070503 PK04_103123 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G06 compound treatment 3752733.813 -369000.0 -0.4 3765973.684 138000.0 0.14 -0.1814 -0.4263 3187724 PK04_103124 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G07 compound treatment 3077047.21 -1040000.0 -1.13 2835961.24 -792000.0 -0.82 -1.383 -0.9877 3070504 PK04_103125 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G08 compound treatment 3836261.084 -286000.0 -0.31 3161723.577 -466000.0 -0.48 -0.5614 -0.9767 3187725 PK04_103126 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G09 compound treatment 3295380.952 -827000.0 -0.9 2576651.515 -1050000.0 -1.09 -1.4061 -0.9952 3187726 PK04_103127 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G10 compound treatment 4136417.266 14400.0 0.02 3153485.232 -474000.0 -0.49 -0.3374 -0.6843 3070543 PK04_103128 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G11 compound treatment 3073516.393 -1050000.0 -1.14 2866525.21 -761000.0 -0.79 -1.3632 -0.9843 3187727 PK04_103129 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G12 compound treatment 4288530.12 167000.0 0.18 3522359.259 -105000.0 -0.11 0.0504 0.2386 3187844 PK04_103130 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G13 compound treatment 3212926.174 -909000.0 -0.99 3052327.206 -575000.0 -0.6 -1.1197 -0.9713 3070544 PK04_103131 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G14 compound treatment 3924137.546 -198000.0 -0.21 3560167.26 -67400.0 -0.07 -0.2012 -0.8916 3187845 PK04_103132 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G15 compound treatment 3969238.866 -153000.0 -0.17 3860308.197 233000.0 0.24 0.054 0.184 3070545 PK04_103133 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G16 compound treatment 4436070.175 314000.0 0.34 3909169.355 282000.0 0.29 0.4478 0.9972 3187846 PK04_103134 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G17 compound treatment 4133797.235 11800.0 0.01 3771675.159 144000.0 0.15 0.115 0.7647 3070546 PK04_103135 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G18 compound treatment 4998000.0 876000.0 0.95 3638564.286 11000.0 0.01 0.6797 0.7156 3187847 PK04_103136 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G19 mock treatment 4929444.976 807000.0 0.88 3771061.776 144000.0 0.15 0.7245 0.8158 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G20 mock treatment 5080512.195 959000.0 1.04 4392146.939 765000.0 0.79 1.2968 0.9912 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G21 compound treatment 4077265.918 -44700.0 -0.05 4010596.244 383000.0 0.4 0.2472 0.6164 3070547 PK04_103137 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G22 compound treatment 4515856.0 394000.0 0.43 3632127.572 4590.0 0.0 0.3053 0.715 3187848 PK04_103138 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G23 compound treatment 4702454.936 580000.0 0.63 4032200.0 405000.0 0.42 0.7424 0.9808 3070548 PK04_103139 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 G24 compound treatment 4139287.402 17300.0 0.02 4268953.782 641000.0 0.67 0.4847 0.7267 3187849 PK04_103140 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H01 compound treatment 3843808.824 -278000.0 -0.3 2997881.356 -630000.0 -0.65 -0.6761 -0.9382 3070549 PK04_103141 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H02 compound treatment 4311412.955 189000.0 0.21 3730282.511 103000.0 0.11 0.2207 0.9536 3187850 PK04_103142 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H03 mock treatment 4388527.897 267000.0 0.29 4072736.585 445000.0 0.46 0.5316 0.9743 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H04 mock treatment 3961200.692 -161000.0 -0.17 3570292.135 -57200.0 -0.06 -0.1654 -0.8976 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H05 compound treatment 4228094.276 106000.0 0.12 3523841.549 -104000.0 -0.11 0.0051 0.0325 3187851 PK04_103143 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H06 compound treatment 4095599.251 -26400.0 -0.03 3393574.007 -234000.0 -0.24 -0.1922 -0.7849 3187852 PK04_103144 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H07 compound treatment 3899722.42 -222000.0 -0.24 3081940.972 -546000.0 -0.57 -0.5714 -0.9273 3070550 PK04_103145 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H08 compound treatment 4035496.094 -86500.0 -0.09 3213035.948 -415000.0 -0.43 -0.371 -0.8413 3187853 PK04_103146 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C(=O)N)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H09 compound treatment 3843192.926 -279000.0 -0.3 3289566.667 -338000.0 -0.35 -0.4622 -0.9972 3070551 PK04_103147 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H10 compound treatment 3489213.178 -633000.0 -0.69 3011891.775 -616000.0 -0.64 -0.9376 -0.9994 3070552 PK04_103148 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H11 compound treatment 3740766.784 -381000.0 -0.41 3192625.498 -435000.0 -0.45 -0.6119 -0.999 3187854 PK04_103149 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H12 compound treatment 3806083.612 -316000.0 -0.34 2888702.041 -739000.0 -0.77 -0.7852 -0.9338 3070553 PK04_103150 CN1CCC(=CC1c2cccs2)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H13 compound treatment 3928020.408 -194000.0 -0.21 3023864.198 -604000.0 -0.63 -0.5924 -0.8952 3187855 PK04_103151 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H14 compound treatment 3527535.714 -594000.0 -0.64 2518376.0 -1110000.0 -1.15 -1.271 -0.9623 3187856 PK04_103152 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H15 compound treatment 4322985.56 201000.0 0.22 3058606.78 -569000.0 -0.59 -0.2641 -0.419 3070554 PK04_103153 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H16 compound treatment 4048251.656 -73800.0 -0.08 3195209.125 -432000.0 -0.45 -0.3743 -0.8201 3187857 PK04_103154 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H17 compound treatment 4532647.94 411000.0 0.45 3272916.084 -355000.0 -0.37 0.0542 0.0938 3187858 PK04_103155 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H18 compound treatment 3991815.385 -130000.0 -0.14 2825788.546 -802000.0 -0.83 -0.6891 -0.8153 3070555 PK04_103156 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)CC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H19 mock treatment 4845174.888 723000.0 0.78 3202108.014 -425000.0 -0.44 0.2418 0.2686 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H20 mock treatment 4433250.0 311000.0 0.34 3401228.261 -226000.0 -0.24 0.0723 0.1757 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H21 compound treatment 4474522.727 353000.0 0.38 3419765.734 -208000.0 -0.22 0.1176 0.2678 3187859 PK04_103157 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H22 compound treatment 4475646.341 354000.0 0.38 3211912.548 -416000.0 -0.43 -0.0343 -0.0595 3070556 PK04_103158 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H23 compound treatment 4979453.744 857000.0 0.93 3742500.0 115000.0 0.12 0.7419 0.7915 3187860 PK04_103159 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 H24 compound treatment 4461172.093 339000.0 0.37 3942985.915 315000.0 0.33 0.4919 0.9984 3070597 PK04_103160 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I01 compound treatment 3438119.171 -684000.0 -0.74 3035974.684 -592000.0 -0.61 -0.9591 -0.9957 3187861 PK04_103161 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I02 compound treatment 3724429.53 -398000.0 -0.43 3486772.926 -141000.0 -0.15 -0.4083 -0.8969 3187862 PK04_103162 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I03 compound treatment 3912978.448 -209000.0 -0.23 3236695.804 -391000.0 -0.41 -0.4475 -0.962 3070598 PK04_103163 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I04 compound treatment 3694536.398 -427000.0 -0.46 3419922.747 -208000.0 -0.22 -0.4803 -0.9395 3187863 PK04_103164 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I05 mock treatment 3918351.145 -204000.0 -0.22 3042620.438 -585000.0 -0.61 -0.586 -0.906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I06 mock treatment 3830272.059 -292000.0 -0.32 3161113.553 -466000.0 -0.48 -0.5665 -0.9786 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I07 compound treatment 3588595.07 -533000.0 -0.58 2896676.667 -731000.0 -0.76 -0.9461 -0.9909 3070599 PK04_103165 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I08 compound treatment 3972003.717 -150000.0 -0.16 3247386.207 -380000.0 -0.4 -0.3944 -0.923 3187864 PK04_103166 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I09 compound treatment 3679224.138 -443000.0 -0.48 3333027.397 -295000.0 -0.31 -0.5559 -0.9764 3187865 PK04_103167 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I10 compound treatment 3587900.415 -534000.0 -0.58 3285651.007 -342000.0 -0.36 -0.6608 -0.9725 3070600 PK04_103168 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I11 compound treatment 4014457.627 -108000.0 -0.12 3270417.219 -357000.0 -0.37 -0.3449 -0.8865 3187866 PK04_103169 COCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I12 compound treatment 3944597.458 -177000.0 -0.19 3129484.962 -498000.0 -0.52 -0.5021 -0.9091 3187978 PK04_103170 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I13 compound treatment 3933556.863 -188000.0 -0.2 3224808.219 -403000.0 -0.42 -0.4405 -0.9456 3070601 PK04_103171 CCCCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I14 compound treatment 3512561.321 -609000.0 -0.66 2845789.272 -782000.0 -0.81 -1.0418 -0.9947 3187979 PK04_103172 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I15 compound treatment 4022204.013 -99800.0 -0.11 3251221.184 -376000.0 -0.39 -0.3531 -0.87 3070602 PK04_103173 CC(C)C(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I16 compound treatment 3156246.324 -966000.0 -1.05 3069363.636 -558000.0 -0.58 -1.1507 -0.9612 3187980 PK04_103174 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I17 compound treatment 4233199.17 111000.0 0.12 3737476.793 110000.0 0.11 0.1661 0.9996 3070603 PK04_103175 COCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I18 compound treatment 4306909.091 185000.0 0.2 3199658.273 -428000.0 -0.44 -0.1727 -0.354 3187981 PK04_103176 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I19 compound treatment 4295681.223 174000.0 0.19 3457508.897 -170000.0 -0.18 0.0082 0.0317 3070604 PK04_103177 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I20 compound treatment 4259971.66 138000.0 0.15 3929028.674 301000.0 0.31 0.3274 0.9427 3187982 PK04_103178 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I21 mock treatment 4098129.496 -23900.0 -0.03 3696003.876 68500.0 0.07 0.032 0.4228 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I22 mock treatment 4553488.688 431000.0 0.47 3724186.722 96600.0 0.1 0.4018 0.8398 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I23 compound treatment 4247776.423 126000.0 0.14 3681333.333 53800.0 0.06 0.136 0.9225 3187983 PK04_103179 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 I24 compound treatment 3835492.248 -287000.0 -0.31 3757937.238 130000.0 0.14 -0.1238 -0.3653 3070605 PK04_103180 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J01 compound treatment 4100157.068 -21800.0 -0.02 3543497.872 -84000.0 -0.09 -0.0785 -0.8675 3187984 PK04_103181 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J02 compound treatment 3690972.973 -431000.0 -0.47 3901209.091 274000.0 0.28 -0.1293 -0.2364 3187985 PK04_103182 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J03 compound treatment 4498048.035 376000.0 0.41 3780764.259 153000.0 0.16 0.4009 0.9159 3070606 PK04_103183 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J04 compound treatment 4316743.243 195000.0 0.21 3784573.394 157000.0 0.16 0.2647 0.9919 3187986 PK04_103184 CN1CCC(=CC1c2ccc(CN3CCCC3)cc2)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J05 mock treatment 4573146.919 451000.0 0.49 4041464.455 414000.0 0.43 0.6501 0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J06 mock treatment 4142041.494 20000.0 0.02 3670755.814 43200.0 0.04 0.0471 0.9444 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J07 compound treatment 4053452.0 -68600.0 -0.07 3618285.156 -9250.0 -0.01 -0.0594 -0.792 3187987 PK04_103185 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J08 compound treatment 3959142.292 -163000.0 -0.18 3152256.318 -475000.0 -0.49 -0.4742 -0.9039 3070607 PK04_103186 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3ccc(CN4CCCC4)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J09 compound treatment 4007685.921 -114000.0 -0.12 3479045.977 -148000.0 -0.15 -0.1968 -0.9941 3187988 PK04_103187 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J10 compound treatment 3691878.788 -430000.0 -0.47 2992720.183 -635000.0 -0.66 -0.7964 -0.9856 3070608 PK04_103188 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J11 compound treatment 3893341.727 -229000.0 -0.25 3388736.486 -239000.0 -0.25 -0.3508 -1.0 3187989 PK04_103189 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J12 compound treatment 3813724.0 -308000.0 -0.33 3557358.491 -70200.0 -0.07 -0.2879 -0.8416 3070609 PK04_103190 CN1CCC(=CC1C2CC2)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J13 compound treatment 3811702.341 -310000.0 -0.34 3340046.44 -287000.0 -0.3 -0.4492 -0.9983 3187990 PK04_103191 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J14 compound treatment 3599992.701 -522000.0 -0.57 3247849.673 -380000.0 -0.39 -0.6793 -0.9845 3187991 PK04_103192 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J15 compound treatment 3177797.048 -944000.0 -1.02 2706691.176 -921000.0 -0.96 -1.4007 -0.9994 3070610 PK04_103193 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J16 compound treatment 3528509.434 -593000.0 -0.64 3388019.169 -240000.0 -0.25 -0.6311 -0.9146 3187992 PK04_103194 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J17 compound treatment 2962007.491 -1160000.0 -1.26 2613972.973 -1010000.0 -1.05 -1.6343 -0.9961 3070654 PK04_103195 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J18 compound treatment 3668473.118 -454000.0 -0.49 3173263.844 -454000.0 -0.47 -0.6816 -0.9998 3187993 PK04_103196 CN1C(C2CC2)C3C4C(C1C=C3CCCO)C(=O)N(C(=O)N)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J19 compound treatment 3167775.281 -954000.0 -1.03 2715427.184 -912000.0 -0.95 -1.402 -0.999 3070655 PK04_103197 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J20 compound treatment 3722406.36 -400000.0 -0.43 3413988.806 -214000.0 -0.22 -0.4633 -0.9517 3187994 PK04_103198 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J21 mock treatment 3754140.94 -368000.0 -0.4 3494548.043 -133000.0 -0.14 -0.3798 -0.8997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J22 mock treatment 3972472.973 -150000.0 -0.16 3521805.243 -106000.0 -0.11 -0.1924 -0.9821 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J23 compound treatment 3985885.106 -136000.0 -0.15 3070547.17 -557000.0 -0.58 -0.5137 -0.8599 3187995 PK04_103199 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 J24 compound treatment 3678497.959 -444000.0 -0.48 3595317.992 -32200.0 -0.03 -0.3637 -0.7545 3070656 PK04_103200 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)CCCO)C(=O)OCCS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K01 compound treatment 3826250.0 -296000.0 -0.32 3288055.794 -339000.0 -0.35 -0.4763 -0.9989 3187996 PK04_103201 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K02 compound treatment 3967666.667 -154000.0 -0.17 3651093.496 23600.0 0.02 -0.101 -0.5973 3187997 PK04_103202 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2cccc(OCCO)c2)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K03 compound treatment 4203297.521 81300.0 0.09 3693968.0 66400.0 0.07 0.1112 0.9927 3070657 PK04_103203 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K04 compound treatment 4080831.325 -41200.0 -0.04 3608503.731 -19000.0 -0.02 -0.0456 -0.933 3187998 PK04_103204 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K05 compound treatment 4321311.111 199000.0 0.22 3738593.023 111000.0 0.12 0.2344 0.9569 3070658 PK04_103205 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K06 compound treatment 4434012.931 312000.0 0.34 4104972.0 477000.0 0.5 0.5901 0.9826 3187999 PK04_103206 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K07 mock treatment 4008304.183 -114000.0 -0.12 4125358.871 498000.0 0.52 0.2787 0.524 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K08 mock treatment 4018574.751 -103000.0 -0.11 3574858.108 -52700.0 -0.05 -0.118 -0.9457 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K09 compound treatment 4332777.328 211000.0 0.23 3699422.794 71900.0 0.07 0.2144 0.8918 3188000 PK04_103207 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K10 compound treatment 4149034.632 27000.0 0.03 3648384.868 20800.0 0.02 0.036 0.989 3070659 PK04_103208 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccc(OCCO)cc2)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K11 compound treatment 3873119.741 -249000.0 -0.27 3516384.328 -111000.0 -0.12 -0.2725 -0.9283 3188108 PK04_103209 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K12 compound treatment 3632285.141 -490000.0 -0.53 3765635.688 138000.0 0.14 -0.274 -0.4981 3188109 PK04_103210 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K13 compound treatment 4085616.034 -36400.0 -0.04 4008341.176 381000.0 0.4 0.252 0.6335 3070660 PK04_103211 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K14 compound treatment 5156429.091 1030000.0 1.12 4080682.143 453000.0 0.47 1.1261 0.9257 3188110 PK04_103212 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K15 mock treatment 4513681.102 392000.0 0.42 4250246.914 623000.0 0.65 0.758 0.9791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K16 mock treatment 4428174.216 306000.0 0.33 4045459.547 418000.0 0.43 0.5419 0.9912 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K17 compound treatment 4629053.719 507000.0 0.55 4148837.134 521000.0 0.54 0.7719 1.0 3070661 PK04_103213 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K18 compound treatment 4363956.081 242000.0 0.26 4327779.468 700000.0 0.73 0.7002 0.905 3188111 PK04_103214 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K19 compound treatment 4108000.0 -14000.0 -0.02 4351427.35 724000.0 0.75 0.5213 0.6927 3188112 PK04_103215 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K20 compound treatment 4971040.724 849000.0 0.92 4480111.486 853000.0 0.89 1.2776 0.9998 3070662 PK04_103216 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K21 compound treatment 3999313.253 -123000.0 -0.13 4188118.143 561000.0 0.58 0.3179 0.532 3188113 PK04_103217 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K22 compound treatment 4962792.969 841000.0 0.91 4358542.601 731000.0 0.76 1.1819 0.9959 3188114 PK04_103218 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K23 mock treatment 4858902.062 737000.0 0.8 4303947.115 676000.0 0.7 1.0621 0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 K24 mock treatment 4195436.842 73400.0 0.08 4079358.491 452000.0 0.47 0.3884 0.8154 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L01 compound treatment 4025653.061 -96400.0 -0.1 3650000.0 22500.0 0.02 -0.0574 -0.5359 3070663 PK04_103219 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L02 compound treatment 4343605.263 222000.0 0.24 4075215.596 448000.0 0.47 0.4989 0.9527 3188115 PK04_103220 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L03 compound treatment 4552155.66 430000.0 0.47 3724448.763 96900.0 0.1 0.401 0.8404 3070664 PK04_103221 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L04 compound treatment 5242154.472 1120000.0 1.21 4312218.75 685000.0 0.71 1.362 0.9676 3188116 PK04_103222 CC1C=C(CCCO)C=C(C(=O)OCCS(=O)(=O)C)C(=CN1Cc2cccc(OC(F)(F)F)c2)C(=O)OCCS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L05 compound treatment 3780619.403 -341000.0 -0.37 4130437.5 503000.0 0.52 0.1079 0.1684 3070665 PK04_103223 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L06 compound treatment 4094530.686 -27500.0 -0.03 4157576.0 530000.0 0.55 0.3685 0.6679 3188117 PK04_103224 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L07 mock treatment 4553588.477 432000.0 0.47 4129806.338 502000.0 0.52 0.7 0.9985 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L08 mock treatment 4256047.273 134000.0 0.15 4317886.029 690000.0 0.72 0.6102 0.8334 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L09 compound treatment 3570018.248 -552000.0 -0.6 3599481.928 -28100.0 -0.03 -0.4438 -0.7407 3188118 PK04_103225 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L10 compound treatment 4323118.812 201000.0 0.22 3935780.0 308000.0 0.32 0.3807 0.9824 3188119 PK04_103226 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L11 compound treatment 3990790.393 -131000.0 -0.14 3431805.461 -196000.0 -0.2 -0.2445 -0.9847 3070666 PK04_103227 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L12 compound treatment 4144295.019 22300.0 0.02 3786188.679 159000.0 0.16 0.1337 0.8022 3188120 PK04_103228 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L13 compound treatment 3818652.174 -303000.0 -0.33 3567548.117 -60000.0 -0.06 -0.2767 -0.8264 3188121 PK04_103229 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L14 compound treatment 4052885.827 -69100.0 -0.07 4103972.973 476000.0 0.5 0.2972 0.5933 3188122 PK04_103230 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L15 mock treatment 4602396.226 480000.0 0.52 4076874.576 449000.0 0.47 0.6986 0.9985 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L16 mock treatment 4235508.711 114000.0 0.12 3843478.659 216000.0 0.22 0.2457 0.96 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L17 compound treatment 3647164.122 -475000.0 -0.51 3425234.177 -202000.0 -0.21 -0.5127 -0.922 3070709 PK04_103231 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L18 compound treatment 4042486.381 -79500.0 -0.09 3545761.092 -81800.0 -0.09 -0.1211 -1.0 3188123 PK04_103232 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L19 compound treatment 3542511.628 -579000.0 -0.63 3195593.315 -432000.0 -0.45 -0.7618 -0.9864 3070710 PK04_103233 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L20 compound treatment 4877983.871 756000.0 0.82 3984411.576 357000.0 0.37 0.8419 0.9357 3188124 PK04_103234 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L21 compound treatment 4425279.57 303000.0 0.33 4174323.944 547000.0 0.57 0.6344 0.9662 3070711 PK04_103235 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L22 compound treatment 4422964.427 301000.0 0.33 3848628.0 221000.0 0.23 0.3932 0.9853 3188125 PK04_103236 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L23 mock treatment 4376495.798 254000.0 0.28 4198087.866 571000.0 0.59 0.6145 0.9394 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 L24 mock treatment 4247864.865 126000.0 0.14 4035572.0 408000.0 0.42 0.3964 0.8897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M01 compound treatment 2770127.413 -1350000.0 -1.47 2565222.707 -1060000.0 -1.1 -1.8173 -0.9902 3070712 PK04_103237 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M02 compound treatment 3581029.304 -541000.0 -0.59 2829079.848 -798000.0 -0.83 -1.0016 -0.9856 3188126 PK04_103238 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccc(OCCO)cc3)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M03 compound treatment 3245297.71 -877000.0 -0.95 2760645.283 -867000.0 -0.9 -1.3093 -0.9996 3070713 PK04_103239 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M04 compound treatment 3451636.719 -670000.0 -0.73 3132300.0 -495000.0 -0.51 -0.878 -0.9857 3188127 PK04_103240 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M05 compound treatment 3176802.974 -945000.0 -1.02 3163210.97 -464000.0 -0.48 -1.0659 -0.941 3188128 PK04_103241 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M06 compound treatment 3385053.968 -737000.0 -0.8 2994933.121 -633000.0 -0.66 -1.03 -0.9953 3070714 PK04_103242 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M07 compound treatment 3030670.103 -1090000.0 -1.18 3117749.02 -510000.0 -0.53 -1.2114 -0.9343 3188237 PK04_103243 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M08 compound treatment 3401866.221 -720000.0 -0.78 2878041.667 -749000.0 -0.78 -1.103 -1.0 3070715 PK04_103244 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccc(CO)o2)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M09 mock treatment 3724397.38 -398000.0 -0.43 3028095.745 -599000.0 -0.62 -0.7454 -0.9838 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M10 mock treatment 3454851.711 -667000.0 -0.72 3129960.784 -498000.0 -0.52 -0.8772 -0.9865 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M11 compound treatment 2982899.225 -1140000.0 -1.24 2813888.889 -814000.0 -0.85 -1.4714 -0.9829 3188238 PK04_103245 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M12 compound treatment 3685988.806 -436000.0 -0.47 3213213.235 -414000.0 -0.43 -0.6388 -0.9989 3188239 PK04_103246 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M13 mock treatment 3545534.091 -576000.0 -0.63 2927367.491 -700000.0 -0.73 -0.9566 -0.9971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M14 mock treatment 3874618.677 -247000.0 -0.27 3388021.583 -240000.0 -0.25 -0.3657 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M15 compound treatment 2975003.704 -1150000.0 -1.24 2751876.712 -876000.0 -0.91 -1.523 -0.9882 3070716 PK04_103247 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M16 compound treatment 4013276.515 -109000.0 -0.12 3040819.048 -587000.0 -0.61 -0.5146 -0.8285 3188240 PK04_103248 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M17 compound treatment 3577316.794 -545000.0 -0.59 3378010.135 -250000.0 -0.26 -0.601 -0.9317 3070717 PK04_103249 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M18 compound treatment 3722123.457 -400000.0 -0.43 3263401.216 -364000.0 -0.38 -0.5742 -0.9977 3188241 PK04_103250 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M19 compound treatment 3705852.59 -416000.0 -0.45 3020676.012 -607000.0 -0.63 -0.7651 -0.9865 3188242 PK04_103251 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M20 compound treatment 3984713.08 -137000.0 -0.15 3120118.577 -507000.0 -0.53 -0.4782 -0.8726 3070718 PK04_103252 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M21 compound treatment 3615155.235 -507000.0 -0.55 3144329.749 -483000.0 -0.5 -0.7437 -0.999 3188243 PK04_103253 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M22 compound treatment 3760809.717 -361000.0 -0.39 3464842.742 -163000.0 -0.17 -0.3965 -0.9295 3188244 PK04_103254 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M23 compound treatment 3865360.0 -257000.0 -0.28 3276889.299 -351000.0 -0.36 -0.4545 -0.9911 3188245 PK04_103255 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 M24 compound treatment 3705441.606 -417000.0 -0.45 3100734.899 -527000.0 -0.55 -0.7066 -0.9954 3070768 PK04_103256 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N01 compound treatment 3697678.112 -424000.0 -0.46 3164178.723 -463000.0 -0.48 -0.6659 -0.9997 3188246 PK04_103257 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N02 compound treatment 3909066.929 -213000.0 -0.23 3640730.337 13200.0 0.01 -0.1536 -0.6639 3188247 PK04_103258 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N03 compound treatment 4037753.788 -84300.0 -0.09 3598142.857 -29400.0 -0.03 -0.0862 -0.8949 3070772 PK04_103259 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N04 compound treatment 3795365.854 -327000.0 -0.35 3465525.21 -162000.0 -0.17 -0.3695 -0.9422 3188248 PK04_103260 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N05 compound treatment 3817677.043 -304000.0 -0.33 3511082.645 -116000.0 -0.12 -0.3189 -0.9074 3188249 PK04_103261 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N06 compound treatment 3930162.996 -192000.0 -0.21 3496548.246 -131000.0 -0.14 -0.2434 -0.9789 3188250 PK04_103262 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N07 compound treatment 3877698.413 -244000.0 -0.26 2959354.232 -668000.0 -0.69 -0.6784 -0.9127 3070060 PK04_103263 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N08 compound treatment 1294586.207 -2830000.0 -3.07 1157603.175 -2470000.0 -2.57 -3.9831 -0.9961 3188251 PK04_103264 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N09 mock treatment 4141121.457 19100.0 0.02 3324589.552 -303000.0 -0.31 -0.208 -0.6591 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N10 mock treatment 4044403.846 -77600.0 -0.08 3481783.051 -146000.0 -0.15 -0.1666 -0.9615 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N11 compound treatment 4230452.899 108000.0 0.12 3586676.349 -40900.0 -0.04 0.0531 0.4248 3070061 PK04_103265 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N12 compound treatment 3895852.14 -226000.0 -0.25 3537587.786 -90000.0 -0.09 -0.2395 -0.9126 3188252 PK04_103266 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N13 mock treatment 3702384.892 -420000.0 -0.45 3376096.886 -251000.0 -0.26 -0.5065 -0.9654 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N14 mock treatment 3534277.397 -588000.0 -0.64 3450823.077 -177000.0 -0.18 -0.5805 -0.8753 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N15 compound treatment 3559851.59 -562000.0 -0.61 3473378.995 -154000.0 -0.16 -0.5443 -0.8637 3070062 PK04_103267 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N16 compound treatment 3795115.702 -327000.0 -0.35 3125800.0 -502000.0 -0.52 -0.6194 -0.9823 3188253 PK04_103268 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N17 compound treatment 3829667.742 -292000.0 -0.32 3130913.58 -497000.0 -0.52 -0.5891 -0.9726 3070063 PK04_103269 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N18 compound treatment 3906839.844 -215000.0 -0.23 3217421.986 -410000.0 -0.43 -0.4664 -0.9598 3188254 PK04_103270 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2ccc(CN3CCCC3)cc2)CCCO)C(=O)OCCS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N19 compound treatment 3838000.0 -284000.0 -0.31 3167759.42 -460000.0 -0.48 -0.5557 -0.9774 3070064 PK04_103271 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N20 compound treatment 3435201.439 -687000.0 -0.74 2988330.909 -639000.0 -0.66 -0.9964 -0.9984 3188255 PK04_103272 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N21 compound treatment 3466041.534 -656000.0 -0.71 3112000.0 -516000.0 -0.54 -0.8818 -0.9903 3070065 PK04_103273 CCCCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N22 compound treatment 3504165.441 -618000.0 -0.67 2825022.727 -803000.0 -0.83 -1.0635 -0.9941 3188256 PK04_103274 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2sc3ccccc3c2Cl)c4ccc(CN5CCCC5)cc4)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N23 compound treatment 3636118.705 -486000.0 -0.53 3356681.967 -271000.0 -0.28 -0.5716 -0.9569 3070066 PK04_103275 CC(C)C(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 N24 compound treatment 3269107.759 -853000.0 -0.92 2928481.818 -699000.0 -0.73 -1.1677 -0.9929 3188257 PK04_103276 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O01 compound treatment 3049149.606 -1070000.0 -1.16 2765517.241 -862000.0 -0.9 -1.4561 -0.9917 3188258 PK04_103277 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O02 compound treatment 3685952.0 -436000.0 -0.47 3123350.482 -504000.0 -0.52 -0.7049 -0.9987 3070067 PK04_103278 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O03 compound treatment 3882996.0 -239000.0 -0.26 3541320.463 -86200.0 -0.09 -0.2466 -0.8994 3188259 PK04_103279 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O04 compound treatment 3925928.571 -196000.0 -0.21 3267807.407 -360000.0 -0.37 -0.4147 -0.9642 3188369 PK04_103280 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O05 compound treatment 3757665.455 -364000.0 -0.4 3399932.836 -228000.0 -0.24 -0.4466 -0.9699 3070068 PK04_103281 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O06 compound treatment 3865589.844 -256000.0 -0.28 3194494.662 -433000.0 -0.45 -0.5149 -0.9732 3188370 PK04_103282 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O07 compound treatment 3821137.778 -301000.0 -0.33 3230871.094 -397000.0 -0.41 -0.5222 -0.9933 3070069 PK04_103283 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O08 compound treatment 4086049.793 -36000.0 -0.04 3414760.87 -213000.0 -0.22 -0.184 -0.8191 3188371 PK04_103284 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccc(CO)o3)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O09 compound treatment 4054875.0 -67100.0 -0.07 3495718.876 -132000.0 -0.14 -0.1484 -0.9562 3188372 PK04_103285 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O10 compound treatment 4206361.789 84400.0 0.09 3907063.83 280000.0 0.29 0.2701 0.8868 3070070 PK04_103286 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O11 mock treatment 3783548.043 -338000.0 -0.37 3927382.47 300000.0 0.31 -0.0391 -0.0812 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O12 mock treatment 4163435.556 41400.0 0.04 3782927.757 155000.0 0.16 0.146 0.8707 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O13 compound treatment 4432552.743 311000.0 0.34 4186096.916 559000.0 0.58 0.6486 0.9664 3188373 PK04_103287 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O14 compound treatment 3834077.821 -288000.0 -0.31 3631440.476 3900.0 0.0 -0.2179 -0.6979 3188374 PK04_103288 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O15 compound treatment 4547831.731 426000.0 0.46 3580000.0 -47500.0 -0.05 0.2915 0.6278 3070071 PK04_103289 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O16 compound treatment 3919820.833 -202000.0 -0.22 3505728.448 -122000.0 -0.13 -0.2445 -0.966 3188375 PK04_103290 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O17 compound treatment 4210086.207 88100.0 0.1 3720482.625 92900.0 0.1 0.1358 1.0 3070072 PK04_103291 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccc(OCCO)cc2)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O18 compound treatment 4703740.157 582000.0 0.63 3670807.818 43300.0 0.04 0.4778 0.7556 3188376 PK04_103292 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O19 compound treatment 4353055.351 231000.0 0.25 4363221.344 736000.0 0.76 0.7179 0.8921 3188377 PK04_103293 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O20 compound treatment 4082010.274 -40000.0 -0.04 3601106.25 -26400.0 -0.03 -0.0501 -0.9757 3070073 PK04_103294 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3cccc(OCCO)c3)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O21 compound treatment 3999765.217 -122000.0 -0.13 3699932.584 72400.0 0.08 -0.0405 -0.2658 3188378 PK04_103295 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O22 compound treatment 3664302.326 -458000.0 -0.5 3489666.667 -138000.0 -0.14 -0.4522 -0.8755 3188379 PK04_103296 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O23 compound treatment 3734972.696 -387000.0 -0.42 3621049.793 -6490.0 -0.01 -0.3015 -0.7184 3070074 PK04_103297 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2cccc(OCCO)c2)/C(=C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 O24 compound treatment 3582840.741 -539000.0 -0.58 3672823.77 45300.0 0.05 -0.3801 -0.6481 3188380 PK04_103298 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P01 compound treatment 2985273.077 -1140000.0 -1.23 2923632.143 -704000.0 -0.73 -1.3889 -0.969 3070075 PK04_103299 COCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P02 compound treatment 3926276.0 -196000.0 -0.21 3186045.752 -441000.0 -0.46 -0.4746 -0.9386 3188381 PK04_103300 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)c3ccc(CO)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P03 compound treatment 3644793.522 -477000.0 -0.52 3439915.751 -188000.0 -0.2 -0.5038 -0.9111 3188382 PK04_103301 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P04 compound treatment 3198937.5 -923000.0 -1.0 3322691.63 -305000.0 -0.32 -0.9318 -0.8876 3070118 PK04_103302 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P05 compound treatment 3367218.341 -755000.0 -0.82 3676678.03 49100.0 0.05 -0.5426 -0.6617 3188383 PK04_103303 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P06 compound treatment 3561508.333 -560000.0 -0.61 3516670.635 -111000.0 -0.12 -0.5112 -0.8265 3070119 PK04_103304 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cccc(OC(F)(F)F)c3)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P07 compound treatment 3649818.182 -472000.0 -0.51 3529093.525 -98400.0 -0.1 -0.4344 -0.832 3188384 PK04_103305 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P08 compound treatment 3669378.601 -453000.0 -0.49 2913892.562 -714000.0 -0.74 -0.8715 -0.9799 3188385 PK04_103306 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3ccc(CN4CCCC4)cc3)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P09 compound treatment 3477090.196 -645000.0 -0.7 3166774.59 -461000.0 -0.48 -0.8331 -0.983 3070120 PK04_103307 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P10 compound treatment 3557461.207 -565000.0 -0.61 2831712.389 -796000.0 -0.83 -1.0177 -0.989 3188386 PK04_103308 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P11 mock treatment 3795500.0 -327000.0 -0.35 3679502.058 52000.0 0.05 -0.2121 -0.5924 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P12 mock treatment 3583768.595 -538000.0 -0.58 3038154.11 -589000.0 -0.61 -0.8458 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P13 compound treatment 3559681.818 -562000.0 -0.61 2947493.103 -680000.0 -0.71 -0.9309 -0.9973 3070121 PK04_103309 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P14 compound treatment 3935169.231 -187000.0 -0.2 2990378.571 -637000.0 -0.66 -0.6115 -0.883 3188387 PK04_103310 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P15 compound treatment 3763404.412 -359000.0 -0.39 3278794.872 -349000.0 -0.36 -0.5313 -0.9994 3188388 PK04_103311 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P16 compound treatment 4003214.575 -119000.0 -0.13 3303828.571 -324000.0 -0.34 -0.329 -0.9132 3070122 PK04_103312 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2ccc(CN3CCCC3)cc2)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P17 compound treatment 3352095.42 -770000.0 -0.83 2664853.48 -963000.0 -1.0 -1.2978 -0.9959 3188389 PK04_103313 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P18 compound treatment 3680996.063 -441000.0 -0.48 3009271.523 -618000.0 -0.64 -0.7925 -0.9894 3188390 PK04_103314 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P19 compound treatment 3411427.119 -711000.0 -0.77 3185215.447 -442000.0 -0.46 -0.8699 -0.9696 3070123 PK04_103315 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P20 compound treatment 3786159.42 -336000.0 -0.36 2878670.412 -749000.0 -0.78 -0.8079 -0.9401 3188503 PK04_103316 COP(=O)(OC)/N=C\1/CC(=CC(C)N1Cc2cccc(OC(F)(F)F)c2)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P21 compound treatment 3478335.766 -644000.0 -0.7 2991790.21 -636000.0 -0.66 -0.9608 -0.9996 3188504 PK04_103317 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P22 compound treatment 3221093.863 -901000.0 -0.98 3052363.333 -575000.0 -0.6 -1.1135 -0.9722 3070124 PK04_103318 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4ccc(CN5CCCC5)cc4)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P23 compound treatment 2331242.215 -1790000.0 -1.94 2343242.537 -1280000.0 -1.33 -2.3169 -0.9833 3188505 PK04_103319 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2103 P24 compound treatment 3116968.872 -1010000.0 -1.09 3175323.843 -452000.0 -0.47 -1.1029 -0.9293 3188506 PK04_103320 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)c5ccc(CO)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A01 mock treatment 3269746.939 -724000.0 -0.79 3059553.571 -1080000.0 -1.12 -1.3501 -0.9846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A02 mock treatment 3518849.421 -475000.0 -0.52 3575211.207 -566000.0 -0.59 -0.7801 -0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A03 mock treatment 3606817.352 -387000.0 -0.42 3571804.444 -569000.0 -0.59 -0.7152 -0.9859 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A04 mock treatment 3698223.256 -296000.0 -0.32 3411425.287 -730000.0 -0.76 -0.763 -0.9267 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A05 mock treatment 3643765.182 -350000.0 -0.38 3513922.764 -627000.0 -0.65 -0.7294 -0.967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A06 mock treatment 3396546.218 -598000.0 -0.65 3597316.742 -544000.0 -0.57 -0.8577 -0.9977 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A07 mock treatment 3962329.317 -31700.0 -0.03 3647156.25 -494000.0 -0.51 -0.3872 -0.7528 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A08 mock treatment 3582289.256 -412000.0 -0.45 3666972.851 -474000.0 -0.49 -0.6641 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A09 mock treatment 3632966.102 -361000.0 -0.39 3453682.819 -687000.0 -0.71 -0.782 -0.9599 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A10 mock treatment 3802570.707 -191000.0 -0.21 3709810.277 -431000.0 -0.45 -0.4637 -0.9389 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A11 mock treatment 4107638.614 114000.0 0.12 3718243.119 -423000.0 -0.44 -0.2236 -0.49 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A12 mock treatment 4364264.249 370000.0 0.4 3819164.502 -322000.0 -0.33 0.0473 0.0906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A13 mock treatment 4164000.0 170000.0 0.18 4082492.462 -58400.0 -0.06 0.0873 0.4502 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A14 mock treatment 4206777.778 213000.0 0.23 4082425.121 -58500.0 -0.06 0.1201 0.5034 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A15 mock treatment 4019260.684 25200.0 0.03 3904037.5 -237000.0 -0.25 -0.1548 -0.6248 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A16 mock treatment 3812857.82 -181000.0 -0.2 3989679.426 -151000.0 -0.16 -0.2501 -0.9939 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A17 mock treatment 4558116.162 564000.0 0.61 4169854.369 28900.0 0.03 0.4537 0.741 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A18 mock treatment 4212746.114 219000.0 0.24 3974202.899 -167000.0 -0.17 0.0451 0.1536 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A19 mock treatment 4157060.606 163000.0 0.18 3758525.896 -382000.0 -0.4 -0.1561 -0.3588 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A20 mock treatment 4309353.211 315000.0 0.34 4306441.964 166000.0 0.17 0.3634 0.9495 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A21 mock treatment 4196150.862 202000.0 0.22 4105280.0 -35700.0 -0.04 0.1287 0.5793 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A22 mock treatment 3537152.263 -457000.0 -0.5 3834201.754 -307000.0 -0.32 -0.5757 -0.9773 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A23 mock treatment 3565504.545 -429000.0 -0.46 3578030.043 -563000.0 -0.59 -0.7423 -0.9935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 A24 mock treatment 3499676.349 -494000.0 -0.54 3706975.49 -434000.0 -0.45 -0.698 -0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B01 mock treatment 3105328.063 -889000.0 -0.96 3525319.82 -616000.0 -0.64 -1.1338 -0.9802 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B02 mock treatment 3975565.957 -18500.0 -0.02 4335025.126 194000.0 0.2 0.1285 0.6337 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B03 compound treatment 3925550.505 -68500.0 -0.07 3952404.762 -189000.0 -0.2 -0.1911 -0.9118 2277 HSCI1_000001 CCc1nc([nH]c1c2ccncc2)c3ccc(OC)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B04 compound treatment 3203695.804 -790000.0 -0.86 3608281.955 -533000.0 -0.55 -0.9975 -0.9777 656 HSCI1_000002 Oc1c(Br)cc(/C=C/2\C(=O)Nc3ccc(I)cc23)cc1Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B05 compound treatment 2364658.824 -1630000.0 -1.77 3269429.577 -872000.0 -0.91 -1.8898 -0.9518 2114187 HSCI1_000003 CCOC(=O)c1cccc(NC(=O)CBr)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B06 compound treatment 4584609.442 591000.0 0.64 4202075.0 61100.0 0.06 0.4977 0.7735 1362420 HSCI1_000004 Oc1c(I)cc(Cl)cc1C(=O)Nc2cc(ccc2Cl)S(=O)(=O)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B07 compound treatment 3335802.721 -658000.0 -0.71 3924952.381 -216000.0 -0.22 -0.6634 -0.8867 3175973 HSCI1_000005 COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B08 compound treatment 3841938.389 -152000.0 -0.16 4392209.524 251000.0 0.26 0.068 0.2203 3175974 HSCI1_000006 CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1CCC(O)C(O)C1O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B09 compound treatment 4325340.909 331000.0 0.36 4470252.336 329000.0 0.34 0.496 0.9997 9 HSCI1_000007 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B10 compound treatment 4099812.5 106000.0 0.11 4314241.379 173000.0 0.18 0.2085 0.9762 571 HSCI1_000008 CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)OC1C(O)C(O)C(O)C(CO)C1O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B11 mock treatment 4355870.813 362000.0 0.39 4379258.197 238000.0 0.25 0.4526 0.9754 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B12 mock treatment 4538077.67 544000.0 0.59 4621238.938 480000.0 0.5 0.7701 0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B13 mock treatment 4492396.226 498000.0 0.54 4390764.151 250000.0 0.26 0.5657 0.9436 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B14 mock treatment 4542870.0 549000.0 0.6 4192604.651 51700.0 0.05 0.4587 0.7678 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B15 compound treatment 4329700.0 336000.0 0.36 4228019.139 87100.0 0.09 0.3213 0.8569 3055039 HSCI1_000009 Cn1cnc2nc(NCCO)nc(NCc3ccccc3)c12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B16 compound treatment 4168518.868 174000.0 0.19 4523420.561 382000.0 0.4 0.4149 0.9423 3175975 HSCI1_000010 CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)CC1OC)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B17 compound treatment 4381785.124 388000.0 0.42 4420268.722 279000.0 0.29 0.5026 0.9837 3055043 HSCI1_000011 CCCCCCCCCCCCCCC[C@@H](O)[C@H](N)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B18 compound treatment 3484995.69 -509000.0 -0.55 3597918.033 -543000.0 -0.56 -0.7894 -0.9999 2326 HSCI1_000012 CCCCCC(=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)CCC)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B19 compound treatment 4338303.279 344000.0 0.37 4378530.466 238000.0 0.25 0.4386 0.9799 2026 HSCI1_000013 CCCCCCCCCCNc1cc(CO)c2cc[nH]c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B20 compound treatment 3923954.545 -70100.0 -0.08 4387806.763 247000.0 0.26 0.1277 0.4771 193 HSCI1_000014 COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B21 compound treatment 3868983.193 -125000.0 -0.14 3854584.034 -286000.0 -0.3 -0.3064 -0.9366 3055048 HSCI1_000015 Nc1nc(Cl)nc2n(cnc12)C3OC(CO)[C@H](O)[C@H]3F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B22 compound treatment 997000.0 -3000000.0 -3.25 1207191.489 -2930000.0 -3.05 -4.4541 -0.9995 3175977 HSCI1_000016 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)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B23 mock treatment 3674983.051 -319000.0 -0.35 4151768.595 10800.0 0.01 -0.2367 -0.6837 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 B24 mock treatment 4003310.924 9250.0 0.01 3708933.852 -432000.0 -0.45 -0.3104 -0.6911 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C01 mock treatment 3121848.889 -872000.0 -0.95 3185766.816 -955000.0 -0.99 -1.3707 -0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C02 mock treatment 3700447.115 -294000.0 -0.32 4019361.257 -122000.0 -0.13 -0.3145 -0.9181 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C03 compound treatment 3571325.792 -423000.0 -0.46 3767403.587 -374000.0 -0.39 -0.5986 -0.9966 2257 HSCI1_000017 COc1ccc(cc1)C(=O)CBr 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C04 compound treatment 3757058.824 -237000.0 -0.26 3701798.387 -439000.0 -0.46 -0.5045 -0.9631 561 HSCI1_000018 C[C@@H](NC(=O)/C(=C/c1ccc(O)c(O)c1)/C#N)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C05 compound treatment 2807950.82 -1190000.0 -1.29 2735136.364 -1410000.0 -1.46 -1.9426 -0.998 2256 HSCI1_000019 Oc1ccc(cc1)C(=O)CBr 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C06 compound treatment 3909507.937 -84600.0 -0.09 3860278.97 -281000.0 -0.29 -0.2711 -0.8866 1000099 HSCI1_000020 C[C@H](NC(=O)/C(=C/c1ccc(O)c(O)c1)/C#N)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C07 compound treatment 4100023.364 106000.0 0.11 4210781.395 69800.0 0.07 0.1326 0.9755 2258 HSCI1_000021 OC(=O)COc1ccc(cc1)C(=O)CBr 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C08 compound treatment 3605974.468 -388000.0 -0.42 3713589.372 -427000.0 -0.44 -0.6116 -0.9996 2227 HSCI1_000022 CCCCCCCCCCCCCCCC(=O)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C09 compound treatment 3021812.274 -972000.0 -1.05 3580785.34 -560000.0 -0.58 -1.1571 -0.9608 2147 HSCI1_000023 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(F)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C10 compound treatment 3926000.0 -68100.0 -0.07 3736688.073 -404000.0 -0.42 -0.3493 -0.8188 617 HSCI1_000024 COc1cc(OC)c(/C=C\2/C(=O)Nc3ccccc23)c(OC)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C11 mock treatment 4042718.919 48700.0 0.05 4175168.421 34200.0 0.04 0.0625 0.9816 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C12 mock treatment 4039786.458 45700.0 0.05 3995688.119 -145000.0 -0.15 -0.0717 -0.4512 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C13 mock treatment 4077156.398 83100.0 0.09 4456338.542 315000.0 0.33 0.2955 0.8692 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C14 mock treatment 4123147.826 129000.0 0.14 4156860.104 15900.0 0.02 0.1107 0.7853 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C15 mock treatment 4171746.032 178000.0 0.19 4341000.0 200000.0 0.21 0.2833 0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C16 mock treatment 4196954.774 203000.0 0.22 3932045.226 -209000.0 -0.22 0.002 0.0066 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C17 compound treatment 4131649.485 138000.0 0.15 3513255.814 -628000.0 -0.65 -0.3558 -0.5317 3055108 HSCI1_000025 CSCC1OC([C@@H](O)[C@H]1O)n2ccc3c(N)ncnc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C18 compound treatment 3568620.69 -425000.0 -0.46 3382337.5 -759000.0 -0.79 -0.8837 -0.9674 3055110 HSCI1_000026 ClCC(=O)c1cc(Br)c(Br)s1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C19 compound treatment 1632857.143 -2360000.0 -2.56 1685487.805 -2460000.0 -2.55 -3.615 -1.0 2121 HSCI1_000027 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C20 compound treatment 1507377.778 -2490000.0 -2.7 1428488.889 -2710000.0 -2.82 -3.9001 -0.9998 1916983 HSCI1_000028 CC(C)C(N1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C21 compound treatment 1892618.182 -2100000.0 -2.28 2069836.364 -2070000.0 -2.15 -3.1334 -0.9996 2188 HSCI1_000029 Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C22 compound treatment 4406778.846 413000.0 0.45 4194324.607 53400.0 0.06 0.3557 0.7888 563 HSCI1_000030 Oc1ccc(/C=C(\C#N)/C(=O)NCCCc2ccccc2)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C23 compound treatment 3641951.311 -352000.0 -0.38 3347564.394 -793000.0 -0.82 -0.8531 -0.9387 1031143 HSCI1_000031 CS(=O)(=O)SCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 C24 mock treatment 3530541.463 -464000.0 -0.5 3617856.459 -523000.0 -0.54 -0.7398 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D01 mock treatment 3574747.863 -419000.0 -0.45 3262065.217 -879000.0 -0.91 -0.9674 -0.9481 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D02 mock treatment 3562435.78 -432000.0 -0.47 4113771.3 -27200.0 -0.03 -0.3509 -0.7484 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D03 compound treatment 3056661.355 -937000.0 -1.02 3840518.868 -300000.0 -0.31 -0.9395 -0.8836 551 HSCI1_000032 CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D04 compound treatment 3221060.976 -773000.0 -0.84 3577528.517 -563000.0 -0.59 -1.0067 -0.9846 3479696 HSCI1_000033 OC(=O)C(CCCCNC(=O)CNC(=O)c1cccc(c1)C(=O)NCC(=O)NCCCCC(NC(=O)OCc2ccc(cc2)C(F)(F)F)C(=O)O)NC(=O)OCc3ccc(cc3)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D05 compound treatment 3371585.586 -622000.0 -0.67 3606526.316 -534000.0 -0.56 -0.87 -0.9953 674 HSCI1_000034 CCOC(=O)c1c(C)[nH]c(/C=C/2\C(=O)Nc3ccccc23)c1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D06 compound treatment 3854574.359 -139000.0 -0.15 4342320.346 201000.0 0.21 0.0411 0.159 146 HSCI1_000035 CCCCCC#CCC#CCC#CCC#CCCCC(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D07 compound treatment 3609196.429 -385000.0 -0.42 3927345.382 -214000.0 -0.22 -0.4521 -0.9564 3175981 HSCI1_000036 O=c1sn(Cc2ccccc2)c(=S)n1Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D08 compound treatment 1358098.039 -2640000.0 -2.86 1516255.319 -2620000.0 -2.73 -3.95 -0.9997 1000097 HSCI1_000037 Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D09 compound treatment 3912853.881 -81200.0 -0.09 4042434.783 -98500.0 -0.1 -0.1347 -0.9972 628 HSCI1_000038 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D10 compound treatment 3039954.023 -954000.0 -1.03 3511502.242 -629000.0 -0.65 -1.1941 -0.9756 3175982 HSCI1_000039 COc1ccc(Nc2nccc(NCCO)n2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D11 mock treatment 3700715.909 -293000.0 -0.32 3813707.031 -327000.0 -0.34 -0.4654 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D12 mock treatment 4359019.417 365000.0 0.4 4105567.961 -35400.0 -0.04 0.2538 0.6387 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D13 mock treatment 3880174.888 -114000.0 -0.12 4017004.065 -124000.0 -0.13 -0.1784 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D14 mock treatment 4146841.837 153000.0 0.17 4095983.264 -45000.0 -0.05 0.0841 0.4886 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D15 mock treatment 4335599.119 342000.0 0.37 4008599.078 -132000.0 -0.14 0.1646 0.4166 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D16 mock treatment 4145050.209 151000.0 0.16 4217933.921 77000.0 0.08 0.1724 0.9458 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D17 compound treatment 3765523.466 -229000.0 -0.25 3851810.526 -289000.0 -0.3 -0.3877 -0.9954 584 HSCI1_000040 Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D18 compound treatment 3103528.777 -891000.0 -0.97 3402041.841 -739000.0 -0.77 -1.2258 -0.9936 2180 HSCI1_000041 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c4ncn(C(C)C)c4n2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D19 compound treatment 3247400.0 -747000.0 -0.81 3715540.65 -425000.0 -0.44 -0.8851 -0.9595 3055161 HSCI1_000042 COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D20 compound treatment 3873572.052 -120000.0 -0.13 3965758.294 -175000.0 -0.18 -0.2211 -0.9867 2067 HSCI1_000043 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D21 compound treatment 2701831.967 -1290000.0 -1.4 2634519.573 -1510000.0 -1.57 -2.0979 -0.9985 3055164 HSCI1_000044 N/C(=C(/C#N)\c1ccccc1C(F)(F)F)/Sc2ccc(N)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D22 compound treatment 3623696.85 -370000.0 -0.4 3396158.672 -745000.0 -0.77 -0.8313 -0.9533 2407 HSCI1_000045 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D23 compound treatment 3351105.991 -643000.0 -0.7 3117878.049 -1020000.0 -1.06 -1.2449 -0.979 550 HSCI1_000046 COC1=C(Br)[C@H](O)[C@](O)(CC#N)C=C1Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 D24 mock treatment 3213023.346 -781000.0 -0.85 3517423.963 -624000.0 -0.65 -1.0571 -0.9913 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E01 mock treatment 3434643.137 -559000.0 -0.61 3411069.307 -730000.0 -0.76 -0.9653 -0.9939 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E02 mock treatment 3894351.931 -99700.0 -0.11 4155613.208 14700.0 0.02 -0.0657 -0.6014 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E03 mock treatment 4068652.83 74600.0 0.08 4289645.833 149000.0 0.15 0.1665 0.9543 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E04 mock treatment 4243759.825 250000.0 0.27 4807780.0 667000.0 0.69 0.6816 0.9159 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E05 compound treatment 4191283.133 197000.0 0.21 3980625.698 -160000.0 -0.17 0.0334 0.1231 2294 HSCI1_000047 CC(=O)NC(C(=O)O)C(C)(C)SN=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E06 compound treatment 4072797.357 78700.0 0.09 3821837.638 -319000.0 -0.33 -0.1742 -0.5085 3175983 HSCI1_000048 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E07 compound treatment 4373640.909 380000.0 0.41 4150579.439 9640.0 0.01 0.2981 0.7241 640 HSCI1_000049 O=C/1Nc2ccccc2\C1=C\c3ccc[nH]3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E08 compound treatment 3768025.974 -226000.0 -0.25 4115315.789 -25600.0 -0.03 -0.1921 -0.7793 1907779 HSCI1_000050 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E09 mock treatment 4386422.727 392000.0 0.43 4013017.467 -128000.0 -0.13 0.2068 0.464 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E10 mock treatment 4285545.455 291000.0 0.32 4362029.851 221000.0 0.23 0.386 0.9877 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E11 compound treatment 4577900.826 584000.0 0.63 4787049.451 646000.0 0.67 0.9225 0.9996 627 HSCI1_000051 C=CC(=O)c1ccc2ccccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E12 compound treatment 3664956.522 -329000.0 -0.36 3343279.476 -798000.0 -0.83 -0.8386 -0.929 536 HSCI1_000052 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E13 compound treatment 4692562.874 699000.0 0.76 4786961.111 646000.0 0.67 1.0103 0.9982 593 HSCI1_000053 Oc1ccc2ccc(=O)oc2c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E14 compound treatment 3909019.512 -85000.0 -0.09 4162267.857 21300.0 0.02 -0.0495 -0.5222 3055208 HSCI1_000054 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E15 mock treatment 4364942.387 371000.0 0.4 4204250.0 63300.0 0.07 0.3309 0.812 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E16 mock treatment 4864937.5 871000.0 0.94 4541914.53 401000.0 0.42 0.9624 0.9324 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E17 mock treatment 4715682.927 722000.0 0.78 5081772.727 941000.0 0.98 1.2448 0.9939 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E18 mock treatment 4530504.587 536000.0 0.58 4567924.303 427000.0 0.44 0.7251 0.9911 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E19 compound treatment 4218372.973 224000.0 0.24 4315160.976 174000.0 0.18 0.3 0.9895 1912 HSCI1_000055 [O-][N+](=O)c1cccc2cn[nH]c12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E20 compound treatment 5325548.223 1330000.0 1.44 5288170.0 1150000.0 1.19 1.864 0.9955 3175984 HSCI1_000056 CCCC(=O)OCSC(=S)OC1CC2CC1C3CCCC23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E21 compound treatment 4740514.286 746000.0 0.81 4662427.313 521000.0 0.54 0.9556 0.981 596 HSCI1_000057 CN(C)c1ccc(/C=C\2/C(=O)Nc3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E22 compound treatment 5024554.585 1030000.0 1.12 5042580.645 902000.0 0.94 1.4528 0.9962 564 HSCI1_000058 Oc1ccc(/C=C(\C#N)/C(=O)NCCCCc2ccccc2)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E23 compound treatment 4312205.128 318000.0 0.34 4268590.308 128000.0 0.13 0.3377 0.9138 2175 HSCI1_000059 CCCCCCCCN1C(=O)C(=C(C)C1(C)O)C(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 E24 mock treatment 4165556.075 171000.0 0.19 4366228.972 225000.0 0.23 0.2971 0.9935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F01 mock treatment 3403079.602 -591000.0 -0.64 3891467.662 -249000.0 -0.26 -0.6365 -0.9207 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F02 mock treatment 4262205.24 268000.0 0.29 4867381.91 726000.0 0.76 0.7395 0.914 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F03 mock treatment 4310066.372 316000.0 0.34 4472810.256 332000.0 0.34 0.4862 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F04 mock treatment 4164275.0 170000.0 0.18 4822704.846 682000.0 0.71 0.6316 0.8625 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F05 compound treatment 4105174.089 111000.0 0.12 4781299.517 640000.0 0.67 0.5558 0.8217 2108 HSCI1_000060 COc1cc2C/C(=C\c3cc(C)c(O)c(C)c3)/C(=O)c2c(N)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F06 compound treatment 3781707.692 -212000.0 -0.23 4334407.895 193000.0 0.2 -0.0206 -0.0674 2303 HSCI1_000061 COc1cc2CCN3Cc4c(OC)c(O)ccc4CC3c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F07 compound treatment 4047765.027 53700.0 0.06 4097456.41 -43500.0 -0.05 0.0092 0.1251 1967 HSCI1_000062 Brc1cccc(Nc2ncnc3cc4[nH]cnc4cc23)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F08 compound treatment 4398939.655 405000.0 0.44 4717709.845 577000.0 0.6 0.7343 0.9883 1918768 HSCI1_000063 Clc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F09 mock treatment 4737307.692 743000.0 0.81 4749150.442 608000.0 0.63 1.0169 0.9928 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F10 mock treatment 4034122.881 40100.0 0.04 4696038.793 555000.0 0.58 0.4387 0.7582 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F11 compound treatment 3499891.051 -494000.0 -0.54 3503421.405 -638000.0 -0.66 -0.8474 -0.9944 583 HSCI1_000064 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F12 compound treatment 3816685.0 -177000.0 -0.19 3808061.135 -333000.0 -0.35 -0.3806 -0.9616 1085933 HSCI1_000065 COC(=O)c1ccccc1NC(=O)c2ccc(F)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F13 compound treatment 3724144.186 -270000.0 -0.29 4308202.899 167000.0 0.17 -0.084 -0.2468 675 HSCI1_000066 Brc1ccc2NC(=O)/C(=C\c3cc4CCCCc4[nH]3)/c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F14 compound treatment 3248893.617 -745000.0 -0.81 4299938.889 159000.0 0.17 -0.4544 -0.5511 2144 HSCI1_000067 O=C(Nc1ccccc1)C2C(=O)NC(=S)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F15 mock treatment 4373014.815 379000.0 0.41 4473568.465 333000.0 0.35 0.535 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F16 mock treatment 4286510.823 292000.0 0.32 4179483.871 38500.0 0.04 0.2526 0.7902 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F17 mock treatment 3959091.954 -35000.0 -0.04 4227780.392 86800.0 0.09 0.037 0.3781 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F18 mock treatment 4313860.87 320000.0 0.35 4150882.759 9950.0 0.01 0.2525 0.7279 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F19 compound treatment 3730663.507 -263000.0 -0.29 4092619.048 -48300.0 -0.05 -0.2375 -0.8189 643 HSCI1_000068 CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F20 compound treatment 3741737.069 -252000.0 -0.27 4163149.038 22200.0 0.02 -0.1771 -0.6451 122 HSCI1_000069 C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F21 compound treatment 3953059.524 -41000.0 -0.04 4007900.398 -133000.0 -0.14 -0.1292 -0.8896 590 HSCI1_000070 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F22 compound treatment 3626832.714 -367000.0 -0.4 3639125.461 -502000.0 -0.52 -0.6504 -0.9911 2060831 HSCI1_000071 O=C1CCCC(=O)C1CC2C(=O)CCCC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F23 compound treatment 4275680.162 282000.0 0.31 4270674.208 130000.0 0.13 0.3113 0.9325 3176054 HSCI1_000072 N/C(=C(/C#N)\C(=C(/N)\Sc1ccccc1)\[N+]#[C-])/Sc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 F24 mock treatment 3979159.42 -14900.0 -0.02 4159565.217 18600.0 0.02 0.0023 0.0899 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G01 mock treatment 3782752.475 -211000.0 -0.23 3716326.633 -425000.0 -0.44 -0.4741 -0.9534 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G02 compound treatment 3741152.838 -253000.0 -0.27 3404728.261 -736000.0 -0.77 -0.735 -0.9042 305 HSCI1_000073 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G03 mock treatment 3785178.694 -209000.0 -0.23 4089394.958 -51500.0 -0.05 -0.198 -0.8509 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G04 mock treatment 4218815.789 225000.0 0.24 3804286.26 -337000.0 -0.35 -0.0751 -0.1761 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G05 mock treatment 3900871.486 -93200.0 -0.1 4203041.841 62100.0 0.06 -0.0258 -0.2152 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G06 mock treatment 3880892.704 -113000.0 -0.12 4280253.589 139000.0 0.14 0.0156 0.0824 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G07 compound treatment 3461497.942 -533000.0 -0.58 3631407.258 -510000.0 -0.53 -0.7828 -0.9991 2073 HSCI1_000074 CC(=CCC/C(=C/CC/C(=C/CSc1nc[nH]n1)/C)/C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G08 compound treatment 3469008.85 -525000.0 -0.57 3432947.368 -708000.0 -0.74 -0.9229 -0.992 3176055 HSCI1_000075 CCOc1cc(/C=C(/C#N)\C(=O)N)cc(CSc2ccccc2)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G09 compound treatment 3293094.697 -701000.0 -0.76 3402792.683 -738000.0 -0.77 -1.0799 -1.0 2335 HSCI1_000076 COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G10 compound treatment 3198544.803 -796000.0 -0.86 3836632.0 -304000.0 -0.32 -0.8336 -0.9073 3055275 HSCI1_000077 CC(C)(C)OC(=O)NC(CC(=O)CCl)C(=O)Cc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G11 compound treatment 1258755.102 -2740000.0 -2.97 1579159.091 -2560000.0 -2.66 -3.98 -0.9986 2134 HSCI1_000078 COc1cc(O)c(cc1/C=C/C(=O)c2ccc(O)cc2)C(C)(C)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G12 compound treatment 3840823.009 -153000.0 -0.17 4238537.736 97600.0 0.1 -0.0458 -0.235 3055277 HSCI1_000079 COc1cc(cc(CN(C)CCc2ccc(cc2)[N+](=O)[O-])c1O)N(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G13 compound treatment 4132644.231 139000.0 0.15 4479513.636 339000.0 0.35 0.3551 0.928 1002387 HSCI1_000080 Oc1ccc(C=C(C#N)C#N)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G14 compound treatment 3944042.857 -50000.0 -0.05 4363328.042 222000.0 0.23 0.1251 0.5269 3176058 HSCI1_000081 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G15 compound treatment 1407822.222 -2590000.0 -2.8 1428454.545 -2710000.0 -2.82 -3.9765 -1.0 672 HSCI1_000082 Oc1ccc(CC(C#N)C#N)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G16 compound treatment 3826414.634 -168000.0 -0.18 3888427.007 -253000.0 -0.26 -0.3141 -0.9839 3176059 HSCI1_000083 OCc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G17 mock treatment 4469348.0 475000.0 0.52 4540751.073 400000.0 0.42 0.6583 0.9943 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G18 mock treatment 4532696.581 539000.0 0.58 4698890.83 558000.0 0.58 0.8231 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G19 mock treatment 4624689.655 631000.0 0.68 5069306.533 928000.0 0.96 1.1658 0.9858 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G20 mock treatment 4823974.747 830000.0 0.9 5093424.242 952000.0 0.99 1.3363 0.9989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G21 compound treatment 4369203.463 375000.0 0.41 4322640.553 182000.0 0.19 0.4212 0.9391 3415700 HSCI1_000084 CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G22 compound treatment 4232262.376 238000.0 0.26 4206697.248 65800.0 0.07 0.231 0.8645 3176060 HSCI1_000085 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G23 compound treatment 3848605.263 -145000.0 -0.16 3913822.222 -227000.0 -0.24 -0.2784 -0.9808 3055326 HSCI1_000086 Cc1ccc(cc1)c2cn3c4CCCCc4sc3n2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 G24 mock treatment 4204672.727 211000.0 0.23 4212243.523 71300.0 0.07 0.2139 0.8909 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H01 mock treatment 3662665.072 -331000.0 -0.36 3996476.684 -144000.0 -0.15 -0.3603 -0.9251 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H02 compound treatment 4029443.038 35400.0 0.04 4526258.883 385000.0 0.4 0.3103 0.7713 1886 HSCI1_000087 NCCOB(c1ccccc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H03 mock treatment 4741821.277 748000.0 0.81 4858258.373 717000.0 0.75 1.1005 0.9991 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H04 mock treatment 4943231.405 949000.0 1.03 4574048.035 433000.0 0.45 1.046 0.9312 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H05 mock treatment 3979619.048 -14400.0 -0.02 4782486.364 642000.0 0.67 0.4605 0.6903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H06 mock treatment 4395991.031 402000.0 0.44 4524870.445 384000.0 0.4 0.5903 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H07 compound treatment 2521639.344 -1470000.0 -1.6 2994318.182 -1150000.0 -1.19 -1.9716 -0.9896 2278 HSCI1_000088 Oc1cc(ccc1NC(=O)Nc2ccccc2Br)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H08 compound treatment 3083636.816 -910000.0 -0.99 3057687.861 -1080000.0 -1.13 -1.4942 -0.9978 1891 HSCI1_000089 Clc1oc(=O)c2ccccc2c1Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H09 compound treatment 4208164.751 214000.0 0.23 3540160.338 -601000.0 -0.62 -0.2774 -0.4164 1966 HSCI1_000090 Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H10 compound treatment 3756677.043 -237000.0 -0.26 3716621.212 -424000.0 -0.44 -0.4939 -0.9671 3176061 HSCI1_000091 CC1(CCC2(C)O1)C(C2C(=O)O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H11 compound treatment 3750088.028 -244000.0 -0.26 3173838.71 -967000.0 -1.01 -0.8978 -0.8638 291 HSCI1_000092 CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H12 compound treatment 3177637.931 -816000.0 -0.89 3840589.147 -300000.0 -0.31 -0.8467 -0.902 3055333 HSCI1_000093 O=C/1Nc2ccccc2\C1=C/c3c[nH]cn3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H13 compound treatment 3823885.714 -170000.0 -0.18 3649458.647 -491000.0 -0.51 -0.4917 -0.9053 3176062 HSCI1_000094 CC[C@@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H14 compound treatment 3791204.633 -203000.0 -0.22 3801527.174 -339000.0 -0.35 -0.405 -0.9741 1040138 HSCI1_000095 COc1cc(C=O)c(cc1OC)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H15 compound treatment 3276308.333 -718000.0 -0.78 3425368.421 -716000.0 -0.74 -1.0762 -0.9997 3176063 HSCI1_000096 CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H16 compound treatment 1345613.636 -2650000.0 -2.87 1313622.222 -2830000.0 -2.94 -4.1085 -0.9999 2109 HSCI1_000097 OCc1c[nH]c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H17 mock treatment 3631226.148 -363000.0 -0.39 4154060.403 13100.0 0.01 -0.2685 -0.6822 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H18 mock treatment 4060918.288 66900.0 0.07 4376663.677 236000.0 0.25 0.2245 0.8787 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H19 mock treatment 3883598.566 -110000.0 -0.12 4435894.068 295000.0 0.31 0.1321 0.4013 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H20 mock treatment 3886146.617 -108000.0 -0.12 4246796.296 106000.0 0.11 -0.0049 -0.0307 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H21 compound treatment 1912750.0 -2080000.0 -2.26 1944150.943 -2200000.0 -2.28 -3.2103 -1.0 3176064 HSCI1_000098 O/N=C\1/C(=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)O)/Nc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H22 compound treatment 3801486.957 -193000.0 -0.21 4274481.328 134000.0 0.14 -0.0495 -0.1974 2069332 HSCI1_000099 CC(=O)/C(=N/O)/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H23 compound treatment 3820298.319 -174000.0 -0.19 3709732.075 -431000.0 -0.45 -0.4501 -0.9259 642 HSCI1_000100 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 H24 mock treatment 4546535.565 552000.0 0.6 4204161.458 63200.0 0.07 0.47 0.78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I01 mock treatment 3641172.093 -353000.0 -0.38 3725674.641 -415000.0 -0.43 -0.5758 -0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I02 compound treatment 3988379.913 -5680.0 -0.01 3943004.032 -198000.0 -0.21 -0.1498 -0.728 666 HSCI1_000101 CC(C)c1cc(/C=C(\C#N)/C(=O)NCCCc2ccccc2)cc(C(C)C)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I03 compound treatment 3902453.184 -91600.0 -0.1 3851397.683 -290000.0 -0.3 -0.283 -0.8931 3176066 HSCI1_000102 CCCCC/C=C/C/C=C/C\C=C\C\C=C\CCCC(=O)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I04 compound treatment 4325810.811 332000.0 0.36 3920048.78 -221000.0 -0.23 0.092 0.2156 2104844 HSCI1_000103 Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OC3(CC4CC5CC(C4)C3)C5)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I05 mock treatment 3792325.926 -202000.0 -0.22 3793329.71 -348000.0 -0.36 -0.4102 -0.9711 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I06 mock treatment 3676699.248 -317000.0 -0.34 3723297.959 -418000.0 -0.43 -0.5503 -0.9934 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I07 mock treatment 3726605.364 -267000.0 -0.29 3580509.158 -560000.0 -0.58 -0.617 -0.9481 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I08 mock treatment 3300397.213 -694000.0 -0.75 3575550.388 -565000.0 -0.59 -0.9474 -0.9926 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I09 compound treatment 3422342.105 -572000.0 -0.62 3476843.972 -664000.0 -0.69 -0.9264 -0.9986 626 HSCI1_000104 CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I10 compound treatment 3358200.0 -636000.0 -0.69 3176309.434 -965000.0 -1.0 -1.1965 -0.9833 3055340 HSCI1_000105 Cc1ccc(N/N=C/2\C(=O)Nc3ccc(Br)cc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I11 compound treatment 3387940.559 -606000.0 -0.66 3292300.429 -849000.0 -0.88 -1.0884 -0.9895 568 HSCI1_000106 COc1ccc(C=C(C#N)C#N)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I12 compound treatment 3435725.275 -558000.0 -0.61 3558383.051 -583000.0 -0.61 -0.8562 -1.0 3176067 HSCI1_000107 Ic1cccc(CSc2nnc(o2)c3ccncc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I13 compound treatment 3500144.404 -494000.0 -0.54 4038457.875 -102000.0 -0.11 -0.454 -0.8315 558 HSCI1_000108 Oc1ccc(C=C(C#N)C#N)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I14 compound treatment 3452777.778 -541000.0 -0.59 3703884.746 -437000.0 -0.45 -0.7362 -0.992 3176068 HSCI1_000109 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I15 compound treatment 3406881.481 -587000.0 -0.64 3578283.721 -563000.0 -0.58 -0.8637 -0.9991 1975 HSCI1_000110 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I16 compound treatment 3819433.962 -175000.0 -0.19 4139105.769 -1830.0 0.0 -0.1352 -0.7142 1001980 HSCI1_000111 CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I17 compound treatment 3913163.551 -80900.0 -0.09 4040909.836 -100000.0 -0.1 -0.1355 -0.9964 130 HSCI1_000112 C/C(=C\C=C\C(=C\C(=O)Nc1ccc(O)cc1)\C)/C=C/C2=C(C)CCCC2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I18 compound treatment 2840285.714 -1150000.0 -1.25 3077689.024 -1060000.0 -1.11 -1.6661 -0.9981 1922639 HSCI1_000113 CC(C)C(N1C(=O)/C(=C/c2ccc(Br)cc2)/SC1=S)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I19 mock treatment 4196159.664 202000.0 0.22 4580302.128 439000.0 0.46 0.4779 0.9434 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I20 mock treatment 4571632.576 578000.0 0.63 4589766.839 449000.0 0.47 0.7727 0.9895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I21 mock treatment 4489939.252 496000.0 0.54 4627111.675 486000.0 0.51 0.7375 0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I22 mock treatment 4237183.168 243000.0 0.26 4604651.741 464000.0 0.48 0.5272 0.9597 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I23 compound treatment 4472378.378 478000.0 0.52 4782457.547 642000.0 0.67 0.8382 0.9923 565 HSCI1_000114 Oc1cc(C=C(C#N)C#N)cc(O)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 I24 mock treatment 4222192.308 228000.0 0.25 4152617.647 11700.0 0.01 0.1835 0.7409 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J01 mock treatment 4053018.868 59000.0 0.06 4055800.905 -85100.0 -0.09 -0.0174 -0.1591 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J02 compound treatment 4136988.142 143000.0 0.15 4212152.778 71200.0 0.07 0.1619 0.9428 3176070 HSCI1_000115 OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1c2c3ccc(O)cc3oc4cc(=O)ccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J03 compound treatment 3980513.274 -13500.0 -0.01 4261758.333 121000.0 0.13 0.0784 0.6202 294 HSCI1_000116 [O-][N+](=O)c1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J04 compound treatment 4507334.728 513000.0 0.56 4606346.32 465000.0 0.48 0.7356 0.9976 3055387 HSCI1_000117 C[C@@]12CCC3C(CCC4=C[C@H](O)CCC34)C2CC[C@@H]1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J05 mock treatment 4514668.224 521000.0 0.56 4997004.63 856000.0 0.89 1.0283 0.9759 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J06 mock treatment 4071910.638 77800.0 0.08 4699706.383 559000.0 0.58 0.4704 0.8015 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J07 mock treatment 4419458.678 425000.0 0.46 4336946.502 196000.0 0.2 0.4702 0.9325 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J08 mock treatment 3966184.426 -27900.0 -0.03 4293790.262 153000.0 0.16 0.091 0.5625 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J09 compound treatment 4103909.091 110000.0 0.12 4551745.833 411000.0 0.43 0.3862 0.8711 633 HSCI1_000118 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3ccccc3O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J10 compound treatment 3888941.176 -105000.0 -0.11 4295047.244 154000.0 0.16 0.0327 0.1662 2251 HSCI1_000119 O=C(NC1=CC(=O)c2ccccc2C1=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J11 compound treatment 3751165.414 -243000.0 -0.26 4148429.078 7490.0 0.01 -0.1807 -0.6859 645 HSCI1_000120 Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J12 compound treatment 3167804.444 -826000.0 -0.9 4135484.043 -5450.0 -0.01 -0.6375 -0.7116 3176071 HSCI1_000121 Nc1nc(Cl)nc2n(cnc12)C3C[C@@H](O)C(CO)O3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J13 compound treatment 3405327.869 -589000.0 -0.64 3911201.878 -230000.0 -0.24 -0.6202 -0.91 646 HSCI1_000122 CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J14 compound treatment 1149244.898 -2840000.0 -3.08 1289644.444 -2850000.0 -2.96 -4.2767 -0.9998 854065 HSCI1_000123 CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J15 compound treatment 3581023.622 -413000.0 -0.45 3934558.304 -206000.0 -0.21 -0.4684 -0.9432 670 HSCI1_000124 CN(C)S(=O)(=O)c1ccc2NC(=O)/C(=C\c3cc4CCCCc4[nH]3)/c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J16 compound treatment 3764621.399 -229000.0 -0.25 4274308.271 133000.0 0.14 -0.0779 -0.2735 3176072 HSCI1_000125 CN(C)c1ccc(/C=C/2\C(=O)Nc3ccccc23)c4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J17 compound treatment 3664384.058 -330000.0 -0.36 3963732.087 -177000.0 -0.18 -0.383 -0.9525 1996 HSCI1_000126 CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J18 compound treatment 2736407.216 -1260000.0 -1.36 3281333.333 -860000.0 -0.89 -1.596 -0.979 2268 HSCI1_000127 CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J19 mock treatment 4092810.078 98700.0 0.11 4453291.667 312000.0 0.32 0.3053 0.893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J20 mock treatment 3777540.541 -217000.0 -0.23 4271034.335 130000.0 0.14 -0.0704 -0.2598 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J21 mock treatment 3785326.46 -209000.0 -0.23 4145427.481 4490.0 0.0 -0.1567 -0.6924 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J22 mock treatment 4103792.035 110000.0 0.12 4640446.429 500000.0 0.52 0.4513 0.8472 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J23 compound treatment 3866550.725 -128000.0 -0.14 4473583.732 333000.0 0.35 0.1467 0.394 654 HSCI1_000128 CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 J24 mock treatment 3845350.0 -149000.0 -0.16 4199859.813 58900.0 0.06 -0.0707 -0.4099 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K01 mock treatment 3746597.458 -247000.0 -0.27 4019766.129 -121000.0 -0.13 -0.2788 -0.9406 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K02 compound treatment 4442867.424 449000.0 0.49 4940183.486 799000.0 0.83 0.9315 0.9675 3055432 HSCI1_000129 CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c2cc(OC)c(OC)c(OC)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K03 compound treatment 4104976.51 111000.0 0.12 4321539.063 181000.0 0.19 0.2178 0.9768 570 HSCI1_000130 NC(=O)/C(=C/c1ccc(O)c(O)c1)/C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K04 compound treatment 3921836.066 -72200.0 -0.08 4032099.678 -109000.0 -0.11 -0.1354 -0.9839 1005921 HSCI1_000131 OCC1OC(Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K05 compound treatment 4054731.818 60700.0 0.07 4143978.261 3040.0 0.0 0.0488 0.7403 559 HSCI1_000132 OC(=O)/C(=C/c1ccc(O)c(O)c1)/C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K06 compound treatment 4790131.579 796000.0 0.86 4892461.538 752000.0 0.78 1.1627 0.9988 620 HSCI1_000133 COc1cc(/C=C(\C#N)/C(=O)c2ccc(O)c(O)c2)cc(I)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K07 mock treatment 4183737.41 190000.0 0.21 4344140.684 203000.0 0.21 0.2948 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K08 mock treatment 4130640.288 137000.0 0.15 4099804.56 -41100.0 -0.04 0.0745 0.4832 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K09 mock treatment 4071893.891 77800.0 0.08 4510106.122 369000.0 0.38 0.331 0.8425 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K10 mock treatment 4540657.143 547000.0 0.59 4195436.426 54500.0 0.06 0.4591 0.7712 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K11 compound treatment 4332075.556 338000.0 0.37 4167456.522 26500.0 0.03 0.2786 0.7582 553 HSCI1_000134 Oc1cc(C=C(C#N)C#N)ccc1[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K12 compound treatment 3652261.538 -342000.0 -0.37 3739579.767 -401000.0 -0.42 -0.557 -0.9983 3176129 HSCI1_000135 Oc1cc(/C=C(\C#N)/C(=O)NCCCc2ccccc2)cc(I)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K13 compound treatment 4143860.377 150000.0 0.16 4254896.414 114000.0 0.12 0.1986 0.988 1000035 HSCI1_000136 O=C1c2ccccc2-c3n[nH]c4cccc1c34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K14 compound treatment 4402492.806 408000.0 0.44 4278939.394 138000.0 0.14 0.4146 0.8906 1 HSCI1_000137 Oc1ccc(/C=C(\C#N)/C(=O)NCCCNC(=O)\C(=C\c2ccc(O)c(O)c2)\C#N)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K15 mock treatment 4569222.689 575000.0 0.62 4463089.606 322000.0 0.33 0.6777 0.9575 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K16 mock treatment 4592991.632 599000.0 0.65 4556789.668 416000.0 0.43 0.7648 0.9804 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K17 compound treatment 4310621.849 317000.0 0.34 4426394.118 285000.0 0.3 0.4525 0.9974 554 HSCI1_000138 Oc1cc(C=C(C#N)C#N)cc([N+](=O)[O-])c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K18 compound treatment 5246451.883 1250000.0 1.36 5459982.684 1320000.0 1.37 1.9297 1.0 3176130 HSCI1_000139 CN(C)c1ccc2c(c3ccccc3C(=O)O)c4ccc(=[N+](C)C)cc4oc2c1.CC(=O)NCCSS(=O)(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K19 compound treatment 4351576.419 358000.0 0.39 4441407.08 300000.0 0.31 0.4949 0.9943 555 HSCI1_000140 Cc1cc2ncc(nc2cc1C)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K20 compound treatment 4170611.336 177000.0 0.19 4815733.668 675000.0 0.7 0.6313 0.8683 2311 HSCI1_000141 COC(=O)c1c(c2cc(OC)c(OC)c(OC)c2)c3ccnc(OCc4ncccn4)c3c(=O)n1Cc5ccnc(C)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K21 mock treatment 5146595.041 1150000.0 1.25 5037285.714 896000.0 0.93 1.5424 0.9895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K22 mock treatment 5156411.765 1160000.0 1.26 5126823.529 986000.0 1.02 1.6158 0.9947 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K23 mock treatment 5184380.0 1190000.0 1.29 5199821.862 1060000.0 1.1 1.6909 0.9969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 K24 mock treatment 4422398.01 428000.0 0.46 4087322.751 -53600.0 -0.06 0.289 0.6178 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L01 mock treatment 4207101.77 213000.0 0.23 4272961.165 132000.0 0.14 0.2604 0.9691 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L02 compound treatment 4900414.097 906000.0 0.98 5287928.571 1150000.0 1.19 1.5379 0.9954 1995 HSCI1_000142 CN(C1CCCCC1)C(=O)CCCOc2ccc3[nH]c(=O)ccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L03 compound treatment 4304605.634 311000.0 0.34 4366848.485 226000.0 0.23 0.4041 0.9845 3176131 HSCI1_000143 Nc1ncnc2n(cc(I)c12)C3OC(CO)[C@H](O)[C@@H]3O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L04 compound treatment 4737083.7 743000.0 0.81 4518275.093 377000.0 0.39 0.847 0.9453 3055484 HSCI1_000144 COc1cc(SC)ccc1c2nc3ccncc3[nH]2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L05 compound treatment 5260052.632 1270000.0 1.37 5895454.955 1750000.0 1.82 2.2602 0.9902 1907775 HSCI1_000145 CS(=O)(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L06 compound treatment 4445599.138 452000.0 0.49 4829673.367 689000.0 0.72 0.8524 0.9828 3176132 HSCI1_000146 COc1ccc(cc1)C(=C2C(=O)Nc3ccccc23)c4ccc(OC)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L07 mock treatment 4894021.93 900000.0 0.98 4851353.414 710000.0 0.74 1.2121 0.9905 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L08 mock treatment 4553351.449 559000.0 0.61 4922021.186 781000.0 0.81 1.0029 0.9897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L09 mock treatment 4767333.333 773000.0 0.84 4826923.729 686000.0 0.71 1.097 0.9967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L10 mock treatment 4598801.762 605000.0 0.66 5155350.467 1010000.0 1.05 1.2092 0.9739 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L11 compound treatment 4697772.321 704000.0 0.76 1262220.0 -2880000.0 -2.99 -1.5763 -0.5105 3055486 HSCI1_000147 O=C1NC(=O)c2c1c3c4ccccc4n5C6CCC(O6)n7c8ccccc8c2c7c53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L12 compound treatment 3248021.505 -746000.0 -0.81 3667329.317 -474000.0 -0.49 -0.9201 -0.9716 3176133 HSCI1_000148 OC(=O)c1ccc(Cl)cc1NC(=O)Nc2cccc(c2)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L13 compound treatment 2468167.488 -1530000.0 -1.65 2399656.0 -1740000.0 -1.81 -2.4497 -0.999 3176134 HSCI1_000149 O/N=C\1/C(=C\2/C(=O)Nc3ccc(I)cc23)/Nc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L14 compound treatment 1371977.778 -2620000.0 -2.84 1356200.0 -2780000.0 -2.89 -4.057 -1.0 3055490 HSCI1_000150 COc1cc(ccc1c2nc3ccncc3[nH]2)S(=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L15 mock treatment 4771779.592 778000.0 0.84 4784920.152 644000.0 0.67 1.0696 0.9935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L16 mock treatment 4406355.805 412000.0 0.45 4509838.028 369000.0 0.38 0.5872 0.9971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L17 compound treatment 4032936.027 38900.0 0.04 4822805.43 682000.0 0.71 0.531 0.7478 3176135 HSCI1_000151 C[S+](O)c1ccc(CSc2nc(c([nH]2)c3ccc(F)cc3)c4ccncc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L18 compound treatment 3925188.889 -68900.0 -0.07 4191033.708 50100.0 0.05 -0.016 -0.1756 2109556 HSCI1_000152 Nc1n[nH]c2nc3ccccc3nc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L19 compound treatment 4904140.969 910000.0 0.99 4817513.619 677000.0 0.7 1.195 0.9862 3176136 HSCI1_000153 C[C@@H]1C2NCC(C)C[C@H]2O[C@@]31CCC4C5CC=C6CC(O)CCC6(C)C5C(=O)C4=C3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L20 compound treatment 4867585.366 874000.0 0.95 4730739.13 590000.0 0.61 1.1032 0.9778 3055494 HSCI1_000154 OB(O)c1ccc(cc1)C(=O)/C=C/c2ccc(I)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L21 mock treatment 4476933.798 483000.0 0.52 4520271.698 379000.0 0.39 0.649 0.9902 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L22 mock treatment 4089023.891 95000.0 0.1 4268270.916 127000.0 0.13 0.1664 0.9923 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L23 mock treatment 4516817.164 523000.0 0.57 4322693.141 182000.0 0.19 0.5344 0.8944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 L24 mock treatment 4323862.745 330000.0 0.36 4208033.175 67100.0 0.07 0.3022 0.8294 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M01 mock treatment 2866485.075 -1130000.0 -1.22 2911988.679 -1230000.0 -1.28 -1.7677 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M02 compound treatment 1961847.458 -2030000.0 -2.2 2290273.81 -1850000.0 -1.92 -2.9183 -0.9977 2095175 HSCI1_000155 Oc1ccc(/C=C(\C#N)/C(=O)NC2CCC(CC3CCC(CC3)NC(=O)\C(=C\c4ccc(O)c(O)c4)\C#N)CC2)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M03 compound treatment 3415057.915 -579000.0 -0.63 3345404.682 -796000.0 -0.83 -1.0286 -0.9908 552 HSCI1_000156 NC(=C(C#N)C#N)/C(=C/c1ccc(O)cc1)/C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M04 compound treatment 3156959.677 -837000.0 -0.91 3328004.132 -813000.0 -0.84 -1.2393 -0.9994 613 HSCI1_000157 Oc1cc(/C=C/c2ccc(O)c(O)c2)oc(=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M05 compound treatment 3154844.622 -839000.0 -0.91 3175350.34 -966000.0 -1.0 -1.3531 -0.9988 657 HSCI1_000158 COc1ccc(/C=C(\C#N)/c2cccnc2)cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M06 compound treatment 3412101.399 -582000.0 -0.63 3591310.861 -550000.0 -0.57 -0.8501 -0.9988 3176139 HSCI1_000159 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)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M07 compound treatment 3365888.889 -628000.0 -0.68 3345191.235 -796000.0 -0.83 -1.0665 -0.9953 671 HSCI1_000160 NC(=C(C#N)C#N)/C(=C/c1cc(O)c(O)c(O)c1)/C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M08 compound treatment 4189619.718 196000.0 0.21 4304214.286 163000.0 0.17 0.2699 0.9939 3176140 HSCI1_000161 Nc1ncnc2n(cnc12)C3OC(CO)[C@H](O)[C@@H]3S 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M09 mock treatment 3608945.055 -385000.0 -0.42 3477340.351 -664000.0 -0.69 -0.783 -0.9711 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M10 mock treatment 3463123.967 -531000.0 -0.58 3695025.316 -446000.0 -0.46 -0.7348 -0.9942 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M11 mock treatment 3801327.869 -193000.0 -0.21 3963681.223 -177000.0 -0.18 -0.278 -0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M12 mock treatment 3827194.805 -167000.0 -0.18 3668821.293 -472000.0 -0.49 -0.4749 -0.9081 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M13 mock treatment 4024371.681 30300.0 0.03 4101837.719 -39100.0 -0.04 -0.0055 -0.1052 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M14 mock treatment 3788677.57 -205000.0 -0.22 4091942.308 -49000.0 -0.05 -0.1935 -0.8469 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M15 compound treatment 3615435.54 -379000.0 -0.41 4054101.322 -86800.0 -0.09 -0.3541 -0.8424 585 HSCI1_000162 Oc1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M16 compound treatment 4052355.45 58300.0 0.06 4059616.438 -81300.0 -0.08 -0.0151 -0.1428 2024 HSCI1_000163 CN(N=O)c1cc(O)ccc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M17 compound treatment 2544797.619 -1450000.0 -1.57 2605577.67 -1540000.0 -1.6 -2.2396 -1.0 569 HSCI1_000164 COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M18 compound treatment 3360420.792 -634000.0 -0.69 3252412.935 -889000.0 -0.92 -1.1388 -0.9894 1890 HSCI1_000165 CN(N=O)c1ccc(O)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M19 compound treatment 1126000.0 -2870000.0 -3.11 1204880.597 -2940000.0 -3.05 -4.3568 -1.0 1008455 HSCI1_000166 BrCC(=O)c1ccc(Br)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M20 compound treatment 4024226.852 30200.0 0.03 3916528.571 -224000.0 -0.23 -0.1418 -0.6021 3176141 HSCI1_000167 CCN(N=O)c1ccc(O)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M21 compound treatment 4129834.615 136000.0 0.15 3871207.048 -270000.0 -0.28 -0.0941 -0.2973 560 HSCI1_000168 Oc1ccc(/C=C(\C#N)/C(=O)Nc2ccccc2)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M22 compound treatment 1665804.878 -2330000.0 -2.52 1527333.333 -2610000.0 -2.72 -3.706 -0.9993 566 HSCI1_000169 COc1cc(/C=C(\C#N)/C(=O)N)cc(CSc2nc3ccccc3s2)c1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M23 mock treatment 3759834.821 -234000.0 -0.25 3699901.869 -441000.0 -0.46 -0.5037 -0.9612 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 M24 mock treatment 3382308.017 -612000.0 -0.66 3613843.22 -527000.0 -0.55 -0.8564 -0.9955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N01 mock treatment 3637599.099 -356000.0 -0.39 3599601.695 -541000.0 -0.56 -0.6712 -0.9832 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N02 compound treatment 4058209.016 64100.0 0.07 4602686.636 462000.0 0.48 0.3886 0.8012 837968 HSCI1_000170 Nc1ncnc2n(cnc12)C3CCCO3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N03 compound treatment 3851076.271 -143000.0 -0.16 3969893.805 -171000.0 -0.18 -0.2353 -0.9977 3176143 HSCI1_000171 CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)CCC(=O)O)[C@@]3(C)O[C@](C)(CC(=O)[C@@]32O)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N04 compound treatment 1021951.613 -2970000.0 -3.22 1301307.692 -2840000.0 -2.95 -4.3657 -0.999 831810 HSCI1_000172 Brc1c(Br)c(Br)c2[nH]nnc2c1Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N05 compound treatment 3821601.626 -172000.0 -0.19 4467675.325 327000.0 0.34 0.1079 0.2784 3054768 HSCI1_000173 C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]42OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C\[C@H]4C(=O)C1=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N06 compound treatment 3973420.635 -20600.0 -0.02 4055748.988 -85200.0 -0.09 -0.0784 -0.8588 3054769 HSCI1_000174 Cn1sc(=O)n(Cc2ccccc2)c1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N07 compound treatment 1465840.909 -2530000.0 -2.74 1316061.224 -2820000.0 -2.94 -4.0146 -0.9994 621 HSCI1_000175 CS(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4cccc(I)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N08 compound treatment 4893945.946 900000.0 0.98 4429332.168 288000.0 0.3 0.9019 0.8836 3054770 HSCI1_000176 c1ccc(cc1)c2n[nH]c3c2oc4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N09 mock treatment 4331939.516 338000.0 0.37 4452238.806 311000.0 0.32 0.4878 0.9981 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N10 mock treatment 4289614.719 296000.0 0.32 4392673.152 252000.0 0.26 0.4116 0.9949 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N11 mock treatment 4110165.939 116000.0 0.13 4554244.444 413000.0 0.43 0.3928 0.8774 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N12 mock treatment 4079510.638 85400.0 0.09 4182118.421 41200.0 0.04 0.0958 0.9385 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N13 mock treatment 3955088.0 -39000.0 -0.04 4466075.117 325000.0 0.34 0.2091 0.6139 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N14 mock treatment 4059396.296 65300.0 0.07 4300531.532 160000.0 0.17 0.1674 0.928 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N15 compound treatment 4080251.082 86200.0 0.09 4037214.559 -104000.0 -0.11 -0.0102 -0.0711 3176144 HSCI1_000177 CC1C2C(Cc3ccccc3)NC(=O)C42OC(=O)O/C=C\C(C)(O)C(=O)C(C)C/C=C\C4C5OC51C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N16 compound treatment 3073196.97 -921000.0 -1.0 1524253.521 -2620000.0 -2.72 -2.6292 -0.9075 1056418 HSCI1_000178 Nc1ncnc2n(cnc12)C3CCC(CO)O3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N17 compound treatment 3692414.53 -302000.0 -0.33 3698983.402 -442000.0 -0.46 -0.5561 -0.9861 2177 HSCI1_000179 CC(C)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)C3[C@H](O)C[C@]12C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N18 compound treatment 4163573.991 170000.0 0.18 4105026.455 -35900.0 -0.04 0.1036 0.5522 3054771 HSCI1_000180 COc1ccc2NC(=O)/C(=C\c3c[nH]cn3)/c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N19 compound treatment 3115618.462 -878000.0 -0.95 3005350.82 -1140000.0 -1.18 -1.5081 -0.9943 3176146 HSCI1_000181 CCCC(=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)CCC)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N20 compound treatment 3569067.194 -425000.0 -0.46 3632092.251 -509000.0 -0.53 -0.6998 -0.9976 2127 HSCI1_000182 CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N21 compound treatment 3393337.705 -601000.0 -0.65 2903590.909 -1240000.0 -1.29 -1.37 -0.9503 3054772 HSCI1_000183 CC(C)(O)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@@]12C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N22 compound treatment 3658403.042 -336000.0 -0.36 3518758.065 -622000.0 -0.65 -0.7146 -0.963 1937872 HSCI1_000184 [O-][N+](=O)c1ccccc1c2ccc(C=C3C(=O)N(C(=S)N(C3=O)c4ccccc4)c5ccccc5)o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N23 mock treatment 3683058.14 -311000.0 -0.34 3725930.041 -415000.0 -0.43 -0.5435 -0.9926 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 N24 mock treatment 3089841.912 -904000.0 -0.98 3295304.933 -846000.0 -0.88 -1.3148 -0.9985 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O01 mock treatment 3215302.905 -779000.0 -0.84 3488642.857 -652000.0 -0.68 -1.0765 -0.9941 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O02 mock treatment 3786375.465 -208000.0 -0.23 3679798.479 -461000.0 -0.48 -0.4982 -0.9407 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O03 compound treatment 3902351.064 -91700.0 -0.1 4070782.051 -70200.0 -0.07 -0.1219 -0.9884 5 HSCI1_000185 CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O04 compound treatment 3870090.909 -124000.0 -0.13 3817635.688 -323000.0 -0.34 -0.3327 -0.9191 2090 HSCI1_000186 CCOC(=O)C(C#N)C1C(=C(N)Oc2ccc(Br)cc12)C(=O)OCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O05 compound treatment 3631934.545 -362000.0 -0.39 3755429.224 -386000.0 -0.4 -0.561 -0.9999 2107241 HSCI1_000187 ClC1=C(N2C(=O)CCC2=O)C(=O)c3ccccc3C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O06 compound treatment 3871354.839 -123000.0 -0.13 3744204.724 -397000.0 -0.41 -0.3857 -0.8901 651 HSCI1_000188 Nc1ncnc2n(ncc12)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O07 compound treatment 3383097.276 -611000.0 -0.66 3698918.919 -442000.0 -0.46 -0.7933 -0.984 562 HSCI1_000189 Oc1ccc(/C=C(\C#N)/C(=O)c2ccc(O)c(O)c2)cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O08 compound treatment 4132723.81 139000.0 0.15 4120920.0 -20000.0 -0.02 0.0916 0.6035 3176147 HSCI1_000190 CS/C(=C(\C#N)/C(=C(\N)/SC)/[N+]#[C-])/N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O09 compound treatment 2450687.943 -1540000.0 -1.67 2500138.06 -1640000.0 -1.71 -2.3892 -1.0 3176148 HSCI1_000191 OCc1cc2ncnc(Nc3ccc(O)cc3)c2cc1CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O10 compound treatment 4307317.972 313000.0 0.34 4786497.835 646000.0 0.67 0.7146 0.9502 3054774 HSCI1_000192 Nc1ccc(cc1)c2cc(=O)c3cc(O)ccc3o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O11 mock treatment 4049310.861 55200.0 0.06 4534947.137 394000.0 0.41 0.3319 0.802 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O12 mock treatment 4468598.291 475000.0 0.51 4523641.791 383000.0 0.4 0.6451 0.9919 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O13 mock treatment 4574087.336 580000.0 0.63 4541266.99 400000.0 0.42 0.7389 0.9799 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O14 mock treatment 4483349.558 489000.0 0.53 4536512.195 396000.0 0.41 0.6659 0.9921 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O15 compound treatment 4151653.465 158000.0 0.17 4398784.314 258000.0 0.27 0.3103 0.9764 3176208 HSCI1_000193 COc1ccc(N=O)c(CCc2cc(OC)ccc2N=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O16 compound treatment 4423176.166 429000.0 0.47 4956497.297 816000.0 0.85 0.9284 0.9601 3054775 HSCI1_000194 CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OCCF 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O17 compound treatment 3561219.512 -433000.0 -0.47 3422303.922 -719000.0 -0.75 -0.86 -0.9749 1860 HSCI1_000195 CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O18 compound treatment 1582816.327 -2410000.0 -2.61 1557702.128 -2580000.0 -2.69 -3.7473 -0.9999 634 HSCI1_000196 OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O19 compound treatment 1368936.17 -2630000.0 -2.85 1494930.233 -2650000.0 -2.75 -3.9574 -0.9999 589 HSCI1_000197 Nc1cc(Nc2ccc(cc2)S(=O)(=O)N)ncn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O20 compound treatment 1973686.275 -2020000.0 -2.19 1995720.0 -2150000.0 -2.23 -3.1257 -1.0 3054776 HSCI1_000198 Oc1ccc2[nH]c(cc2c1)C(=O)c3cc4ccccc4[nH]3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O21 compound treatment 1425333.333 -2570000.0 -2.79 1324466.667 -2820000.0 -2.93 -4.0395 -0.9997 557 HSCI1_000199 Cc1cc2ncc(nc2cc1C)c3ccc(O)c(O)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O22 compound treatment 4525918.288 532000.0 0.58 4192018.182 51100.0 0.05 0.4453 0.769 1000586 HSCI1_000200 O/N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O23 mock treatment 4102295.72 108000.0 0.12 4214980.237 74000.0 0.08 0.1374 0.9791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 O24 mock treatment 3484426.778 -510000.0 -0.55 3684147.186 -457000.0 -0.47 -0.7265 -0.9971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P01 mock treatment 3399932.735 -594000.0 -0.64 3334847.458 -806000.0 -0.84 -1.048 -0.9916 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P02 mock treatment 3571449.612 -423000.0 -0.46 3824512.5 -316000.0 -0.33 -0.5566 -0.9868 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P03 mock treatment 3817913.242 -176000.0 -0.19 4140112.108 -823.0 0.0 -0.1357 -0.7103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P04 mock treatment 3580022.624 -414000.0 -0.45 4228556.075 87600.0 0.09 -0.253 -0.5524 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P05 mock treatment 3616996.139 -377000.0 -0.41 4253314.815 112000.0 0.12 -0.2065 -0.4856 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P06 mock treatment 3708117.155 -286000.0 -0.31 4047231.076 -93700.0 -0.1 -0.2881 -0.8865 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P07 mock treatment 3689085.47 -305000.0 -0.33 4437795.556 297000.0 0.31 -0.0156 -0.0346 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P08 mock treatment 3439564.394 -554000.0 -0.6 4334341.121 193000.0 0.2 -0.283 -0.4464 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P09 mock treatment 3505347.49 -489000.0 -0.53 4217056.604 76100.0 0.08 -0.3187 -0.5949 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P10 mock treatment 3252574.394 -741000.0 -0.8 3870212.687 -271000.0 -0.28 -0.7675 -0.901 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P11 mock treatment 3417060.714 -577000.0 -0.63 3982951.613 -158000.0 -0.16 -0.5585 -0.8635 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P12 mock treatment 3608082.609 -386000.0 -0.42 4216373.333 75400.0 0.08 -0.2405 -0.5648 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P13 mock treatment 3658046.931 -336000.0 -0.36 4024694.836 -116000.0 -0.12 -0.3431 -0.8937 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P14 mock treatment 3700976.285 -293000.0 -0.32 4335894.977 195000.0 0.2 -0.0814 -0.216 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P15 mock treatment 3386358.566 -608000.0 -0.66 4100064.0 -40900.0 -0.04 -0.496 -0.7511 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P16 mock treatment 3404640.449 -589000.0 -0.64 4060621.399 -80300.0 -0.08 -0.5109 -0.7927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P17 mock treatment 3339801.619 -654000.0 -0.71 4033952.381 -107000.0 -0.11 -0.5802 -0.8081 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P18 mock treatment 3447831.541 -546000.0 -0.59 3965891.473 -175000.0 -0.18 -0.5474 -0.8836 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P19 mock treatment 3447166.667 -547000.0 -0.59 3858498.127 -282000.0 -0.29 -0.6269 -0.9474 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P20 mock treatment 3220249.169 -774000.0 -0.84 3741204.38 -400000.0 -0.42 -0.8871 -0.9475 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P21 mock treatment 3158711.191 -835000.0 -0.91 3264464.029 -876000.0 -0.91 -1.2846 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P22 mock treatment 3081600.0 -912000.0 -0.99 3292561.702 -848000.0 -0.88 -1.3231 -0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P23 mock treatment 3507377.778 -487000.0 -0.53 3431546.154 -709000.0 -0.74 -0.8945 -0.9865 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2104 P24 mock treatment 3022462.687 -972000.0 -1.05 3281936.09 -859000.0 -0.89 -1.3763 -0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A01 mock treatment 3635890.0 -490000.0 -0.53 3061323.944 -986000.0 -1.02 -1.1005 -0.9532 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A02 mock treatment 3355086.957 -771000.0 -0.84 3407848.214 -640000.0 -0.66 -1.0611 -0.9936 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A03 mock treatment 3624817.49 -501000.0 -0.54 3591308.3 -456000.0 -0.47 -0.7194 -0.9977 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A04 mock treatment 3873655.462 -252000.0 -0.27 3699910.714 -347000.0 -0.36 -0.4488 -0.9906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A05 mock treatment 3861557.692 -264000.0 -0.29 3759709.091 -288000.0 -0.3 -0.4141 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A06 mock treatment 3963492.611 -162000.0 -0.18 3710111.628 -337000.0 -0.35 -0.3724 -0.9493 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A07 mock treatment 3847778.281 -278000.0 -0.3 3636232.0 -411000.0 -0.43 -0.5155 -0.9854 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A08 mock treatment 3803734.597 -322000.0 -0.35 3464131.687 -583000.0 -0.61 -0.6757 -0.9657 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A09 mock treatment 3878843.137 -247000.0 -0.27 3663753.304 -384000.0 -0.4 -0.4714 -0.9813 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A10 mock treatment 4186055.838 60100.0 0.07 3998362.385 -49000.0 -0.05 0.0101 0.1216 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A11 mock treatment 3864830.846 -261000.0 -0.28 3894408.867 -153000.0 -0.16 -0.3126 -0.9628 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A12 mock treatment 4097962.264 -28000.0 -0.03 3752721.698 -295000.0 -0.31 -0.238 -0.7734 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A13 mock treatment 4272867.58 147000.0 0.16 3965721.973 -81700.0 -0.08 0.0526 0.2915 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A14 mock treatment 4540266.99 414000.0 0.45 3963422.535 -84000.0 -0.09 0.2559 0.5593 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A15 mock treatment 3874602.871 -251000.0 -0.27 3982771.3 -64600.0 -0.07 -0.2402 -0.8558 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A16 mock treatment 3978873.096 -147000.0 -0.16 4117036.866 69700.0 0.07 -0.0616 -0.3515 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A17 mock treatment 4201475.676 75500.0 0.08 4242519.231 195000.0 0.2 0.2013 0.9204 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A18 mock treatment 4393194.444 267000.0 0.29 4322148.148 275000.0 0.29 0.4068 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A19 mock treatment 4237457.711 112000.0 0.12 3972698.69 -74700.0 -0.08 0.0306 0.213 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A20 mock treatment 4598494.898 473000.0 0.51 4113175.0 65800.0 0.07 0.4107 0.7944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A21 mock treatment 4131970.732 6030.0 0.01 3750328.829 -297000.0 -0.31 -0.2137 -0.692 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A22 mock treatment 4551183.099 425000.0 0.46 3941167.364 -106000.0 -0.11 0.248 0.523 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A23 mock treatment 4271661.972 146000.0 0.16 3520153.846 -527000.0 -0.55 -0.2758 -0.4835 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 A24 mock treatment 3997401.747 -129000.0 -0.14 3356132.353 -691000.0 -0.72 -0.6066 -0.8288 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B01 mock treatment 3022856.667 -1100000.0 -1.2 3806419.214 -241000.0 -0.25 -1.0228 -0.837 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B02 mock treatment 4310168.182 184000.0 0.2 4331719.048 284000.0 0.3 0.3502 0.9818 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B03 compound treatment 3549840.637 -576000.0 -0.62 3664053.333 -383000.0 -0.4 -0.7234 -0.9764 577 HSCI1_000201 CN1C(=O)C(=C(C1=O)c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B04 compound treatment 3165955.285 -960000.0 -1.04 3762680.952 -285000.0 -0.3 -0.9453 -0.8735 614 HSCI1_000202 Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B05 compound treatment 3994443.478 -132000.0 -0.14 4319342.222 272000.0 0.28 0.0991 0.3129 907102 HSCI1_000203 NCCCCCCNS(=O)(=O)c1cccc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B06 compound treatment 4307226.087 181000.0 0.2 4567083.77 520000.0 0.54 0.521 0.9063 1012954 HSCI1_000204 OC(Cc1ccncc1)C(Cl)(Cl)Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B07 compound treatment 6628516.892 2500000.0 2.71 6404177.474 2360000.0 2.45 3.6509 0.9987 3176210 HSCI1_000205 CCCC(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c3cc4ccccc4[nH]3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B08 compound treatment 4869830.04 744000.0 0.81 4636401.914 589000.0 0.61 1.0032 0.9907 321 HSCI1_000206 O=c1cc(oc2c(cccc12)c3ccccc3)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B09 compound treatment 1334648.148 -2790000.0 -3.03 1260703.704 -2790000.0 -2.9 -4.1882 -0.9998 3176211 HSCI1_000207 C[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@]2(C)CC[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C[C@@H](C)C[C@@H](C)/C(=C/C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(=O)O)/O)O2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B10 compound treatment 4951814.815 826000.0 0.9 4842070.796 795000.0 0.83 1.2173 0.9992 3103895 HSCI1_000208 C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B11 mock treatment 4649057.778 523000.0 0.57 4447393.665 400000.0 0.42 0.6951 0.9883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B12 mock treatment 4555665.049 430000.0 0.47 4218535.27 171000.0 0.18 0.4553 0.9128 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B13 mock treatment 4677751.196 552000.0 0.6 4409534.314 362000.0 0.38 0.6892 0.9751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B14 mock treatment 4494788.018 369000.0 0.4 4469671.111 422000.0 0.44 0.5932 0.9989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B15 compound treatment 4190557.692 64600.0 0.07 4033939.086 -13400.0 -0.01 0.0397 0.5551 1940 HSCI1_000209 NSC(=S)N1CCCC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B16 compound treatment 4269014.151 143000.0 0.16 4261561.702 214000.0 0.22 0.2671 0.9844 1000071 HSCI1_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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B17 compound treatment 5214269.565 1090000.0 1.18 5037654.709 990000.0 1.03 1.5622 0.9977 3176212 HSCI1_000211 Nc1ncnc2n(cnc12)C3OC(CO)[C@H](O)[C@@H]3O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B18 compound treatment 4279050.459 153000.0 0.17 4180415.0 133000.0 0.14 0.2152 0.9959 831767 HSCI1_000212 NCCCNCCCCNCCCN 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B19 compound treatment 4525768.473 400000.0 0.43 4010509.091 -36900.0 -0.04 0.2794 0.6421 3054778 HSCI1_000213 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B20 compound treatment 4774121.212 648000.0 0.7 4324650.0 277000.0 0.29 0.7007 0.9225 2293 HSCI1_000214 CSC(=N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B21 compound treatment 3967299.539 -159000.0 -0.17 3581753.247 -466000.0 -0.48 -0.4639 -0.9031 1001920 HSCI1_000215 CNC[C@H](O)c1ccc(O)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B22 compound treatment 4712924.779 587000.0 0.64 4184779.72 137000.0 0.14 0.551 0.8448 3054779 HSCI1_000216 CN/C(=N\C)/NCCC[C@H](N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B23 mock treatment 3902111.94 -224000.0 -0.24 3412557.252 -635000.0 -0.66 -0.6382 -0.9077 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 B24 mock treatment 4260417.91 134000.0 0.15 3832955.947 -214000.0 -0.22 -0.0545 -0.2046 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C01 mock treatment 3484698.113 -641000.0 -0.7 3060145.749 -987000.0 -1.03 -1.2172 -0.982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C02 mock treatment 3936454.545 -189000.0 -0.21 3568641.921 -479000.0 -0.5 -0.4971 -0.9234 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C03 compound treatment 4020109.17 -106000.0 -0.11 3285166.667 -762000.0 -0.79 -0.6414 -0.8012 2022 HSCI1_000217 CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C04 compound treatment 4369276.699 243000.0 0.26 3961693.277 -85700.0 -0.09 0.1236 0.4438 3176214 HSCI1_000218 COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4cccc(c4)C(=O)C)n32)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C05 compound treatment 4146330.233 20400.0 0.02 4151784.53 104000.0 0.11 0.0924 0.834 3054780 HSCI1_000219 CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C06 compound treatment 3598949.749 -527000.0 -0.57 3292080.569 -755000.0 -0.79 -0.9592 -0.9878 3054781 HSCI1_000220 NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C07 compound treatment 3765491.525 -360000.0 -0.39 3389126.984 -658000.0 -0.68 -0.7602 -0.9647 360 HSCI1_000221 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C08 compound treatment 2497000.0 -1630000.0 -1.77 2885136.17 -1160000.0 -1.21 -2.1031 -0.9828 2260 HSCI1_000222 Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c65)c78 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C09 compound treatment 3973814.07 -152000.0 -0.16 4105437.5 58100.0 0.06 -0.074 -0.4211 3054782 HSCI1_000223 O=c1cc(oc2c1ccc3ccccc32)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C10 compound treatment 3439602.151 -686000.0 -0.74 3790254.438 -257000.0 -0.27 -0.7152 -0.9045 3176215 HSCI1_000224 C1CCC(CC1)n2cnc3c(Nc4ccc(cc4)N5CCOCC5)nc(Oc6cccc7ccccc67)nc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C11 mock treatment 3977560.606 -148000.0 -0.16 4288155.34 241000.0 0.25 0.0632 0.2124 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C12 mock treatment 4104882.353 -21100.0 -0.02 4212073.892 165000.0 0.17 0.1049 0.6074 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C13 mock treatment 4521384.615 395000.0 0.43 4188395.722 141000.0 0.15 0.4068 0.8978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C14 mock treatment 4395400.99 269000.0 0.29 4194000.0 147000.0 0.15 0.3143 0.954 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C15 mock treatment 4221411.429 95500.0 0.1 4183917.127 137000.0 0.14 0.1735 0.988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C16 mock treatment 4138100.0 12200.0 0.01 4560967.742 514000.0 0.53 0.3868 0.7243 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C17 compound treatment 4450592.784 325000.0 0.35 4097855.072 50500.0 0.05 0.286 0.8036 3176216 HSCI1_000225 CCCCCCCCCCCCCCCCC(=C)OOCC(COP(=O)(ON)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)ON)[C@H](OP(=O)(O)ON)[C@H]1O)OOC(=C)CC/C=C/C/C=C/C\C=C\C\C=C\CCCCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C18 compound treatment 4337182.266 211000.0 0.23 4042138.122 -5250.0 -0.01 0.1581 0.6901 907140 HSCI1_000226 NCCCCNS(=O)(=O)c1ccc2ccccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C19 compound treatment 5021778.894 896000.0 0.97 4565516.129 518000.0 0.54 1.0676 0.9613 3054783 HSCI1_000227 Nc1nc2n(cnc2c(=O)[nH]1)C3OC(COP(=O)(O)OP(=S)(O)O)[C@H](O)[C@@H]3O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C20 compound treatment 4396620.192 271000.0 0.29 3913316.038 -134000.0 -0.14 0.109 0.3355 2081802 HSCI1_000228 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C21 compound treatment 4237504.587 112000.0 0.12 4066237.838 18900.0 0.02 0.0994 0.8111 3176218 HSCI1_000229 Nc1nc2n(C3OC4COP(O)(O)OC4C3O)c(Br)nc2c(=O)[nH]1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C22 compound treatment 4187647.059 61700.0 0.07 4552726.415 505000.0 0.53 0.4187 0.7908 3054784 HSCI1_000230 Nc1nc(Cl)nc2n(cnc12)C3C[C@@H](O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C23 compound treatment 3986679.426 -139000.0 -0.15 3649119.565 -398000.0 -0.41 -0.3995 -0.9066 1338 HSCI1_000231 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 C24 mock treatment 3815031.532 -311000.0 -0.34 3758820.408 -289000.0 -0.3 -0.4505 -0.9983 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D01 mock treatment 2938699.605 -1190000.0 -1.29 3099502.092 -948000.0 -0.99 -1.6069 -0.9913 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D02 mock treatment 4168384.937 42400.0 0.05 3995254.808 -52100.0 -0.05 -0.0058 -0.0813 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D03 compound treatment 2223187.919 -1900000.0 -2.06 2546349.593 -1500000.0 -1.56 -2.5621 -0.9905 3176219 HSCI1_000232 O/N=C/1\C(=C/2\C(=O)Nc3cc(Br)ccc23)\Nc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D04 compound treatment 2541465.278 -1580000.0 -1.72 2286794.393 -1760000.0 -1.83 -2.5088 -0.9995 3054785 HSCI1_000233 O=C1NC(=O)c2c1ccc(Nc3ccccc3)c2Nc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D05 compound treatment 4085607.656 -40300.0 -0.04 3780373.206 -267000.0 -0.28 -0.2272 -0.8086 1277018 HSCI1_000234 COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D06 compound treatment 1536561.644 -2590000.0 -2.81 1251621.212 -2800000.0 -2.91 -4.0401 -0.9999 1919 HSCI1_000235 CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D07 compound treatment 4214844.156 88900.0 0.1 3780746.888 -267000.0 -0.28 -0.1278 -0.4356 3176221 HSCI1_000236 C1C[C@H](N/C/2=N/CCCCCCCCCCC2)[C@@H](C1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D08 compound treatment 4205352.941 79400.0 0.09 4183936.585 137000.0 0.14 0.1612 0.9713 3054786 HSCI1_000237 OCC1OC([C@@H](O)[C@H]1O)n2cnc3cc(Cl)c(Cl)cc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D09 compound treatment 3847319.635 -279000.0 -0.3 4244413.978 197000.0 0.2 -0.0688 -0.1885 3176222 HSCI1_000238 COc1cc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D10 compound treatment 3848151.079 -278000.0 -0.3 3303188.811 -744000.0 -0.77 -0.7599 -0.9155 407 HSCI1_000239 [O-][N+](=O)c1cccc2c(Br)n[nH]c12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D11 mock treatment 4364573.684 239000.0 0.26 4173339.623 126000.0 0.13 0.2755 0.9502 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D12 mock treatment 4056000.0 -69900.0 -0.08 4332782.979 285000.0 0.3 0.1561 0.5099 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D13 mock treatment 4012119.658 -114000.0 -0.12 4404871.111 357000.0 0.37 0.1755 0.4482 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D14 mock treatment 4168717.703 42800.0 0.05 4405868.778 358000.0 0.37 0.2963 0.789 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D15 mock treatment 4222952.381 97000.0 0.11 4420798.165 373000.0 0.39 0.3488 0.8674 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D16 mock treatment 4014865.546 -111000.0 -0.12 4080837.398 33500.0 0.03 -0.0606 -0.4832 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D17 compound treatment 3793669.202 -332000.0 -0.36 3774170.543 -273000.0 -0.28 -0.4556 -0.9931 3054787 HSCI1_000240 N/N=C(/N)\NO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D18 compound treatment 4132284.36 6340.0 0.01 4094213.27 46800.0 0.05 0.0393 0.799 907294 HSCI1_000241 CN(C)C(=N)NCCC[C@H](N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D19 compound treatment 4130017.391 4070.0 0.0 3932495.05 -115000.0 -0.12 -0.0813 -0.6805 3176223 HSCI1_000242 CSC(=N)NCCC[C@H](N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D20 compound treatment 4149248.963 23300.0 0.03 4279440.909 232000.0 0.24 0.1884 0.7769 3054789 HSCI1_000243 CNC(=N)NCCC[C@@H](N)C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D21 compound treatment 4100213.992 -25700.0 -0.03 4111620.321 64200.0 0.07 0.0275 0.3798 3176224 HSCI1_000244 OP(=O)(O)C(Cl)(Cl)P(=O)(O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D22 compound treatment 4022582.222 -103000.0 -0.11 3735929.134 -311000.0 -0.32 -0.3082 -0.8995 3176225 HSCI1_000245 CNC(=N)NCCC[C@H](N)C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D23 compound treatment 3932920.455 -193000.0 -0.21 3567958.621 -479000.0 -0.5 -0.5004 -0.9258 2215 HSCI1_000246 CCCNC(=N)NCCCC(N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 D24 mock treatment 3611306.977 -515000.0 -0.56 3237034.188 -810000.0 -0.84 -0.9902 -0.98 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E01 mock treatment 3798391.304 -328000.0 -0.36 3936480.0 -111000.0 -0.12 -0.3326 -0.8909 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E02 mock treatment 4094342.466 -31600.0 -0.03 4187463.203 140000.0 0.15 0.0787 0.5263 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E03 mock treatment 4140950.192 15000.0 0.02 4113447.257 66100.0 0.07 0.0601 0.8511 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E04 mock treatment 4648776.65 523000.0 0.57 4608110.169 561000.0 0.58 0.813 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E05 compound treatment 6104068.293 1980000.0 2.14 6407065.574 2360000.0 2.45 3.2509 0.9978 3176226 HSCI1_000247 CCCCc1c([nH]c2nccnc12)c3ccc(OC)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E06 compound treatment 4254376.884 128000.0 0.14 4200310.68 153000.0 0.16 0.2109 0.9978 2371 HSCI1_000248 CCCCCCCCNC(=O)C(Cc1ccc(OCc2ccncc2)cc1)NC(=O)C3CCC(CN)CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E07 compound treatment 1692017.857 -2430000.0 -2.64 1913329.114 -2130000.0 -2.22 -3.4346 -0.9963 1989 HSCI1_000249 Clc1[nH]c2ccccc2c1/C=C\3/C(=O)Nc4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E08 compound treatment 1633243.902 -2490000.0 -2.7 1677976.19 -2370000.0 -2.46 -3.6526 -0.9989 1416171 HSCI1_000250 OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E09 mock treatment 4681517.413 556000.0 0.6 4267844.56 220000.0 0.23 0.588 0.9123 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E10 mock treatment 4446235.0 320000.0 0.35 4632674.877 585000.0 0.61 0.6757 0.9646 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E11 compound treatment 4086768.595 -39200.0 -0.04 4255360.996 208000.0 0.22 0.1228 0.5575 663 HSCI1_000251 Fc1ccc(cc1)c2nc3SCCn3c2c4ccncc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E12 compound treatment 1519140.0 -2610000.0 -2.83 1433942.308 -2610000.0 -2.72 -3.9194 -0.9998 1000089 HSCI1_000252 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E13 compound treatment 4555461.905 430000.0 0.47 4168093.923 121000.0 0.13 0.418 0.8667 3054791 HSCI1_000253 Nc1nc2n(cnc2c(=O)[nH]1)C3OC4COP(O)(O)OC4C3O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E14 compound treatment 3893259.259 -233000.0 -0.25 3460885.496 -587000.0 -0.61 -0.6095 -0.9238 3176276 HSCI1_000254 NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-])C(=O)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E15 mock treatment 4836170.0 710000.0 0.77 4574202.479 527000.0 0.55 0.9317 0.986 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E16 mock treatment 5088890.0 963000.0 1.04 4795070.796 748000.0 0.78 1.2878 0.9894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E17 mock treatment 4489289.796 363000.0 0.39 4527530.928 480000.0 0.5 0.6315 0.9931 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E18 mock treatment 4732939.914 607000.0 0.66 4395383.966 348000.0 0.36 0.7211 0.9603 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E19 compound treatment 5150403.433 1020000.0 1.11 5128497.908 1080000.0 1.12 1.58 1.0 1000095 HSCI1_000255 CC(O)C(O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E20 compound treatment 4923877.637 798000.0 0.87 4872743.363 825000.0 0.86 1.2184 1.0 3054834 HSCI1_000256 NCCNC[C@@H](N)CCCNC(=N)N[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E21 compound treatment 4852904.762 727000.0 0.79 4533009.709 486000.0 0.5 0.9143 0.9768 423 HSCI1_000257 COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E22 compound treatment 4801122.549 675000.0 0.73 4402780.612 355000.0 0.37 0.7789 0.9498 2114444 HSCI1_000258 O=c1n(CCN2CCCCC2)c(=O)c3ccc4c5ccc6c(=O)n(CCN7CCCCC7)c(=O)c8ccc(c9ccc1c3c94)c5c86 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E23 compound treatment 4391343.22 265000.0 0.29 4175675.824 128000.0 0.13 0.2978 0.9389 832002 HSCI1_000259 CC(=N)NCCC[C@H](N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 E24 mock treatment 4478312.5 352000.0 0.38 3674239.362 -373000.0 -0.39 -0.0041 -0.0075 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F01 mock treatment 3633270.936 -493000.0 -0.53 3608608.466 -439000.0 -0.46 -0.7002 -0.9969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F02 mock treatment 4334224.299 208000.0 0.23 4118892.857 71500.0 0.07 0.2122 0.8927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F03 mock treatment 4418883.838 293000.0 0.32 3986723.32 -60700.0 -0.06 0.18 0.5559 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F04 mock treatment 4678704.225 553000.0 0.6 4609639.594 562000.0 0.58 0.837 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F05 compound treatment 3725453.39 -400000.0 -0.43 4325911.458 279000.0 0.29 -0.1023 -0.1961 3176278 HSCI1_000260 CC(=O)O/N=C/1\C(=C/2\C(=O)Nc3cc(Br)ccc23)\Nc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F06 compound treatment 4346383.26 220000.0 0.24 4710112.676 663000.0 0.69 0.6561 0.8998 1505 HSCI1_000261 CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F07 compound treatment 4543872.642 418000.0 0.45 3958182.573 -89200.0 -0.09 0.2549 0.551 3054836 HSCI1_000262 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F08 compound treatment 4582721.739 457000.0 0.5 4014893.443 -32500.0 -0.03 0.3263 0.6574 1980 HSCI1_000263 CC1(C2CCC(O2)C1(C)C(=O)O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F09 mock treatment 4303288.991 177000.0 0.19 4264038.314 217000.0 0.23 0.2952 0.9969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F10 mock treatment 4206324.324 80400.0 0.09 4210720.0 163000.0 0.17 0.1817 0.952 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F11 compound treatment 4698995.349 573000.0 0.62 4699055.794 652000.0 0.68 0.9183 0.9991 832084 HSCI1_000264 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4nc[nH]c4n2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F12 compound treatment 4071759.036 -54200.0 -0.06 4068806.818 21400.0 0.02 -0.0258 -0.4106 445 HSCI1_000265 NC(=O)c1cccc(N)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F13 compound treatment 4229706.612 104000.0 0.11 4053144.33 5760.0 0.01 0.0838 0.7437 2194 HSCI1_000266 OS(=O)(=O)c1cc(c2c(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc(c2c1)S(=O)(=O)O)S(=O)(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F14 compound treatment 4094923.372 -31000.0 -0.03 4223650.0 176000.0 0.18 0.1058 0.5678 2025 HSCI1_000267 NCCCC(N)(C(F)F)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F15 mock treatment 4500267.281 374000.0 0.41 4362816.964 315000.0 0.33 0.5188 0.9944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F16 mock treatment 4184635.965 58700.0 0.06 4294027.027 247000.0 0.26 0.2263 0.8566 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F17 mock treatment 3571609.155 -554000.0 -0.6 4008352.941 -39000.0 -0.04 -0.4537 -0.7531 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F18 mock treatment 3990832.636 -135000.0 -0.15 4614700.483 567000.0 0.59 0.3134 0.5158 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F19 compound treatment 4087813.765 -38100.0 -0.04 4371718.593 324000.0 0.34 0.2091 0.6158 2259 HSCI1_000268 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F20 compound treatment 4648225.092 522000.0 0.57 4297459.091 250000.0 0.26 0.5842 0.9376 2674 HSCI1_000269 N[C@@H](CCC(=O)O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F21 compound treatment 4200379.592 74400.0 0.08 3649774.436 -398000.0 -0.41 -0.2352 -0.5585 3176279 HSCI1_000270 CC[C@]1(O)C[C@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@@H]7[C@@]86CCN9CC=C[C@@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F22 compound treatment 4232892.0 107000.0 0.12 3968573.84 -78800.0 -0.08 0.0241 0.1695 2129 HSCI1_000271 OCC(O)C1OC(=O)C(=C1O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F23 compound treatment 1146254.237 -2980000.0 -3.23 1444170.213 -2600000.0 -2.71 -4.1978 -0.9961 1000078 HSCI1_000272 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 F24 mock treatment 4066386.266 -59600.0 -0.06 3583038.835 -464000.0 -0.48 -0.3869 -0.7946 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G01 mock treatment 3521906.122 -604000.0 -0.65 3946260.638 -101000.0 -0.11 -0.5374 -0.8102 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G02 compound treatment 4205719.87 79800.0 0.09 4420686.275 373000.0 0.39 0.3355 0.844 25 HSCI1_000273 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G03 mock treatment 3850905.138 -275000.0 -0.3 3950478.873 -96900.0 -0.1 -0.2821 -0.8962 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G04 mock treatment 4534044.776 408000.0 0.44 4298489.96 251000.0 0.26 0.4974 0.9683 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G05 mock treatment 3984116.279 -142000.0 -0.15 4489632.075 442000.0 0.46 0.2163 0.4462 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G06 mock treatment 4069539.033 -56400.0 -0.06 4742452.83 695000.0 0.72 0.4676 0.6449 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G07 compound treatment 1612113.636 -2510000.0 -2.73 1634547.619 -2410000.0 -2.51 -3.7007 -0.9991 3054838 HSCI1_000274 CC(C)(c1ccc(NS(=O)(=O)C(F)(F)F)cc1)c2ccc(cc2)C(C)(C)c3cccc(NS(=O)(=O)C(F)(F)F)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G08 compound treatment 4173167.464 47200.0 0.05 3678429.078 -369000.0 -0.38 -0.235 -0.6073 546 HSCI1_000275 Cc1ncc2ccccc2c1C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G09 compound treatment 3573113.99 -553000.0 -0.6 3069649.038 -978000.0 -1.02 -1.1425 -0.9683 1947905 HSCI1_000276 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G10 compound treatment 4282994.898 157000.0 0.17 3730829.787 -317000.0 -0.33 -0.1123 -0.303 636 HSCI1_000277 C/C(=C(\C#N)/C(=O)Nc1cccc(F)c1)/O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G11 compound treatment 3778420.29 -348000.0 -0.38 2981927.632 -1070000.0 -1.11 -1.0495 -0.8972 3176281 HSCI1_000278 COc1ccc(CNC(=O)Nc2ncc(s2)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G12 compound treatment 4066127.193 -59800.0 -0.06 4618241.525 571000.0 0.59 0.3737 0.6261 3054840 HSCI1_000279 CC1OC(C[C@H]1O)n2cnc3c(N)ncnc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G13 compound treatment 1417190.476 -2710000.0 -2.94 1386809.524 -2660000.0 -2.77 -4.0322 -0.9995 2319 HSCI1_000280 CN(C)CC1Cc2ccccc2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G14 compound treatment 4230921.296 105000.0 0.11 4231741.784 184000.0 0.19 0.216 0.9691 3176282 HSCI1_000281 N[C@@H](CCN/C(=N/O)/N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G15 compound treatment 3813053.846 -313000.0 -0.34 4258414.545 211000.0 0.22 -0.0848 -0.2099 2145 HSCI1_000282 NC(=N)NCCS 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G16 compound treatment 1420697.674 -2710000.0 -2.93 1504651.163 -2540000.0 -2.64 -3.9429 -0.9986 3583 HSCI1_000283 Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G17 mock treatment 4659466.667 534000.0 0.58 4653458.564 606000.0 0.63 0.8545 0.9991 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G18 mock treatment 4922051.546 796000.0 0.86 4593653.659 546000.0 0.57 1.0119 0.9794 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G19 mock treatment 5200885.167 1070000.0 1.17 4881641.593 834000.0 0.87 1.4373 0.9894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G20 mock treatment 5182616.822 1060000.0 1.15 5088145.0 1040000.0 1.08 1.5751 0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G21 compound treatment 4949900.943 824000.0 0.89 4755222.749 708000.0 0.74 1.152 0.9954 1030173 HSCI1_000284 NC(=N)NO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G22 compound treatment 1453214.286 -2670000.0 -2.9 1502465.116 -2540000.0 -2.65 -3.9196 -0.999 3176283 HSCI1_000285 COc1cc(ccc1[n+]2nc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccccc4)c5ccc(c(OC)c5)[n+]6nc(nn6c7ccc(cc7)[N+](=O)[O-])c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G23 compound treatment 4815869.159 690000.0 0.75 4119776.952 72400.0 0.08 0.5822 0.7743 469 HSCI1_000286 CCCC(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 G24 mock treatment 4293137.931 167000.0 0.18 5086645.833 1040000.0 1.08 0.892 0.8144 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H01 mock treatment 3846590.551 -279000.0 -0.3 3532946.078 -514000.0 -0.53 -0.5923 -0.9638 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H02 compound treatment 4423768.924 298000.0 0.32 4279414.53 232000.0 0.24 0.3989 0.9897 1594 HSCI1_000287 N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H03 mock treatment 4939028.302 813000.0 0.88 4579364.486 532000.0 0.55 1.0144 0.9747 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H04 mock treatment 4986502.222 861000.0 0.93 4328265.56 281000.0 0.29 0.8662 0.886 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H05 mock treatment 4599975.709 474000.0 0.51 4448607.438 401000.0 0.42 0.6583 0.9946 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H06 mock treatment 4230872.881 105000.0 0.11 4694538.462 647000.0 0.67 0.5561 0.8151 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H07 compound treatment 4129743.902 3800.0 0.0 4548016.129 501000.0 0.52 0.3709 0.7127 3054842 HSCI1_000288 CSc1nc(c([nH]1)c2ccnc(NC(C)c3ccccc3)c2)c4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H08 compound treatment 4049661.818 -76300.0 -0.08 4071794.466 24400.0 0.03 -0.0405 -0.4687 1961 HSCI1_000289 CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H09 compound treatment 3813187.755 -313000.0 -0.34 4092509.709 45100.0 0.05 -0.2066 -0.6036 572 HSCI1_000290 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H10 compound treatment 3831714.932 -294000.0 -0.32 3950885.417 -96500.0 -0.1 -0.2965 -0.8866 1907755 HSCI1_000291 COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H11 compound treatment 4146007.246 20100.0 0.02 3698614.334 -349000.0 -0.36 -0.241 -0.6635 574 HSCI1_000292 NCCCn1cc(C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H12 compound treatment 3289890.351 -836000.0 -0.91 3571418.251 -476000.0 -0.49 -0.9908 -0.9594 3176284 HSCI1_000293 COc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCc2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H13 compound treatment 3537509.524 -588000.0 -0.64 3233898.374 -813000.0 -0.85 -1.049 -0.9904 2195 HSCI1_000294 OS(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c3)ccc(c2c1)S(=O)(=O)O)S(=O)(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H14 compound treatment 3699201.646 -427000.0 -0.46 3575963.115 -471000.0 -0.49 -0.6737 -0.9996 1714 HSCI1_000295 CN(C)C(=N)NC(=N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H15 compound treatment 3873661.29 -252000.0 -0.27 3723194.853 -324000.0 -0.34 -0.4317 -0.9946 2197 HSCI1_000296 OS(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc4ccc(cc4S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(cc5S(=O)(=O)O)S(=O)(=O)O)cc(c2)C(=O)Nc6ccc(cc6S(=O)(=O)O)S(=O)(=O)O)c(c1)S(=O)(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H16 compound treatment 3949555.932 -176000.0 -0.19 3745025.89 -302000.0 -0.31 -0.3575 -0.9716 3054849 HSCI1_000297 CCNC(=N)NCCC[C@H](N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H17 mock treatment 4161693.727 35700.0 0.04 4170138.889 123000.0 0.13 0.1176 0.8821 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H18 mock treatment 4263690.141 138000.0 0.15 4181578.947 134000.0 0.14 0.2042 0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H19 mock treatment 4084230.483 -41700.0 -0.05 3952235.915 -95100.0 -0.1 -0.1019 -0.9371 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H20 mock treatment 4626392.562 500000.0 0.54 4506104.418 459000.0 0.48 0.7208 0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H21 compound treatment 4120236.667 -5710.0 -0.01 4704162.698 657000.0 0.68 0.4783 0.7007 3054896 HSCI1_000298 NC(=O)c1cn(C2OC(CO)[C@H](O)[C@@H]2O)c3ncnc(N)c13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H22 compound treatment 4656353.191 530000.0 0.58 4180540.0 133000.0 0.14 0.5045 0.8529 2063 HSCI1_000299 CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H23 compound treatment 4319906.25 194000.0 0.21 4262213.043 215000.0 0.22 0.3066 0.9996 606 HSCI1_000300 CNCCNS(=O)(=O)c1cccc2cnccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 H24 mock treatment 4221945.545 96000.0 0.1 4531009.524 484000.0 0.5 0.4291 0.8358 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I01 mock treatment 3502386.364 -624000.0 -0.68 3807926.316 -239000.0 -0.25 -0.6541 -0.9079 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I02 compound treatment 3869327.66 -257000.0 -0.28 4042195.349 -5190.0 -0.01 -0.2006 -0.7207 662 HSCI1_000301 Cc1nc(c(o1)c2ccncc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I03 compound treatment 3899341.564 -227000.0 -0.25 4022610.092 -24800.0 -0.03 -0.1919 -0.777 3054901 HSCI1_000302 Clc1cc(Cl)c(NC(=O)Nc2ccncc2)c(Cl)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I04 compound treatment 3852004.785 -274000.0 -0.3 3745874.419 -302000.0 -0.31 -0.4316 -0.9996 2110413 HSCI1_000303 Cc1cc(C)c(/C=C/2\C(=O)Nc3ccccc23)[nH]1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I05 mock treatment 4188030.0 62100.0 0.07 3609278.626 -438000.0 -0.46 -0.2744 -0.5961 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I06 mock treatment 4162764.706 36800.0 0.04 3483891.473 -563000.0 -0.59 -0.3859 -0.6574 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I07 mock treatment 3710304.029 -416000.0 -0.45 3465380.597 -582000.0 -0.6 -0.7464 -0.9895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I08 mock treatment 3570081.081 -556000.0 -0.6 3475283.186 -572000.0 -0.59 -0.8467 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I09 compound treatment 3281649.832 -844000.0 -0.92 3396378.092 -651000.0 -0.68 -1.1258 -0.9889 2023 HSCI1_000304 CCCCn1c(=O)n(CCCC)c2ncn(CC(=O)C)c2c1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I10 compound treatment 2678064.0 -1450000.0 -1.57 3150192.44 -897000.0 -0.93 -1.7695 -0.9691 2196 HSCI1_000305 OS(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc6ccc(cc6)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)cc4)cc3)ccc(c2c1)S(=O)(=O)O)S(=O)(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I11 compound treatment 3033146.617 -1090000.0 -1.18 2997841.667 -1050000.0 -1.09 -1.6092 -0.9991 3054905 HSCI1_000306 Oc1ccc(cc1O)C(=O)/C(=C/c2ccc3oc(=O)[nH]c3c2)/C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I12 compound treatment 3717373.913 -409000.0 -0.44 3748722.222 -299000.0 -0.31 -0.5328 -0.9849 3054907 HSCI1_000307 Cc1nc2cc3nc(cnc3cc2n1C)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I13 compound treatment 3415223.776 -711000.0 -0.77 2982958.333 -1060000.0 -1.11 -1.3272 -0.9844 3479224 HSCI1_000308 CC(=N)NCCCCC(N)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I14 compound treatment 1186876.238 -2940000.0 -3.19 1442881.72 -2600000.0 -2.71 -4.1676 -0.9967 2061 HSCI1_000309 Oc1cc(c2cc(ccc2c1N=Nc3ccc4ccccc4c3O)[N+](=O)[O-])S(=O)(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I15 compound treatment 4254917.293 129000.0 0.14 3798642.14 -249000.0 -0.26 -0.0839 -0.2856 2087 HSCI1_000310 NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I16 compound treatment 3727597.345 -398000.0 -0.43 3995602.888 -51800.0 -0.05 -0.3435 -0.7891 1870 HSCI1_000311 NC(=N)SCCc1cccc(CCSC(=N)N)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I17 compound treatment 4051715.556 -74200.0 -0.08 4587185.484 540000.0 0.56 0.3398 0.5995 2408 HSCI1_000312 NCCC(O)(P(=O)(O)O)P(=O)(O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I18 compound treatment 3948637.86 -177000.0 -0.19 3947326.531 -100000.0 -0.1 -0.2095 -0.9584 3054955 HSCI1_000313 Cc1ccc(cc1)S(=O)(=O)N[C@H](CCCCN)C(=O)CCl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I19 mock treatment 4436687.243 311000.0 0.34 4319203.791 272000.0 0.28 0.438 0.9962 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I20 mock treatment 4705021.097 579000.0 0.63 4578859.504 531000.0 0.55 0.8346 0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I21 mock treatment 4743890.052 618000.0 0.67 4541850.0 494000.0 0.51 0.8372 0.9914 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I22 mock treatment 4587670.051 462000.0 0.5 4322626.943 275000.0 0.29 0.5563 0.9648 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I23 compound treatment 4642240.0 516000.0 0.56 4856164.894 809000.0 0.84 0.9903 0.9805 1956 HSCI1_000314 N[C@H](CSCCB(O)O)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 I24 mock treatment 3960142.222 -166000.0 -0.18 4047600.0 214.0 0.0 -0.127 -0.7062 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J01 mock treatment 3783352.941 -343000.0 -0.37 3758901.869 -288000.0 -0.3 -0.4747 -0.9944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J02 compound treatment 1980455.959 -2150000.0 -2.33 2001015.385 -2050000.0 -2.13 -3.149 -0.999 1005830 HSCI1_000315 Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)c(C)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J03 compound treatment 4745551.887 620000.0 0.67 4695150.0 648000.0 0.67 0.9511 1.0 573 HSCI1_000316 CN1CCCC1CCn2cc(C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45)c6ccccc26 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J04 compound treatment 1537511.628 -2590000.0 -2.81 1522837.209 -2520000.0 -2.62 -3.84 -0.9994 1038990 HSCI1_000317 FC(F)(F)c1ccc2Sc3ccccc3N(CCCN4CCN(CCCl)CC4)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J05 mock treatment 4461412.844 335000.0 0.36 3981378.486 -66000.0 -0.07 0.2087 0.5638 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J06 mock treatment 4196857.143 70900.0 0.08 4295482.759 248000.0 0.26 0.2367 0.8797 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J07 mock treatment 4438647.773 313000.0 0.34 4228676.856 181000.0 0.19 0.373 0.9616 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J08 mock treatment 4124838.596 -1110.0 0.0 4190929.515 144000.0 0.15 0.1047 0.7014 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J09 compound treatment 3933074.219 -193000.0 -0.21 4066776.224 19400.0 0.02 -0.1336 -0.636 3054961 HSCI1_000318 OCc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J10 compound treatment 1272127.66 -2850000.0 -3.09 1245916.667 -2800000.0 -2.91 -4.247 -0.9995 1979 HSCI1_000319 Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J11 compound treatment 3667469.231 -458000.0 -0.5 3683352.941 -364000.0 -0.38 -0.6191 -0.9909 580 HSCI1_000320 Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCN)c4ccccc34)c5ccccc15 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J12 compound treatment 3604575.107 -521000.0 -0.57 3422439.863 -625000.0 -0.65 -0.859 -0.9976 3054964 HSCI1_000321 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3C(=O)C[C@@](C)(O[C@]13C)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J13 compound treatment 3714119.355 -412000.0 -0.45 3729659.091 -318000.0 -0.33 -0.5493 -0.989 907101 HSCI1_000322 NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J14 compound treatment 3289412.141 -837000.0 -0.91 3532519.031 -515000.0 -0.54 -1.0198 -0.9683 3176334 HSCI1_000323 CC(C)[C@@]1(C)[C@@H]([C@H](OO)c2ccc[nH]2)[C@]3(O)[C@]4(O)[C@@]1(C)[C@@]5(O)C[C@@]3(C)[C@@]6(O)CCC(=C)[C@@H](O)[C@]46O5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J15 compound treatment 3833756.098 -292000.0 -0.32 4014708.955 -32700.0 -0.03 -0.248 -0.7785 3054966 HSCI1_000324 C[C@@H]1CNCCCN1S(=O)(=O)c2cccc3cncc(C)c23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J16 compound treatment 3821587.361 -304000.0 -0.33 3690443.262 -357000.0 -0.37 -0.4957 -0.9983 3176335 HSCI1_000325 CN1CCN(CCCC(=O)O[C@H]2[C@@H](O)[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@@]4(O)C(=O)C[C@@](C)(O[C@]24C)C=C)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J17 compound treatment 918478.8732 -3210000.0 -3.48 1364234.043 -2680000.0 -2.79 -4.4312 -0.994 1049343 HSCI1_000326 CCC(C)C1NC(=O)C(NC(=O)c2c(N)c(=O)c(C)c3oc4c(C)ccc(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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J18 compound treatment 4311655.462 186000.0 0.2 4156772.908 109000.0 0.11 0.2228 0.9634 3054969 HSCI1_000327 C[C@@]12CCC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(O)C[C@H](O)[C@@H]31 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J19 mock treatment 4299625.984 174000.0 0.19 4013754.464 -33600.0 -0.03 0.1084 0.5662 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J20 mock treatment 3985995.37 -140000.0 -0.15 4194410.072 147000.0 0.15 8.0E-4 0.0035 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J21 mock treatment 4276213.043 150000.0 0.16 4069652.174 22300.0 0.02 0.1316 0.7995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J22 mock treatment 4347533.898 222000.0 0.24 4180885.845 134000.0 0.14 0.268 0.966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J23 compound treatment 4354389.961 228000.0 0.25 4079909.091 32500.0 0.03 0.1991 0.7962 3054970 HSCI1_000328 NC(=NCCSSCCN=C(N)N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 J24 mock treatment 4009305.164 -117000.0 -0.13 3688268.041 -359000.0 -0.37 -0.3534 -0.8966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K01 mock treatment 3833038.298 -293000.0 -0.32 3572512.931 -475000.0 -0.49 -0.5736 -0.9773 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K02 compound treatment 4585266.355 459000.0 0.5 4260036.364 213000.0 0.22 0.5085 0.9332 637 HSCI1_000329 C/C(=C(\C#N)/C(=O)Nc1ccc(OC(F)(F)F)cc1)/O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K03 compound treatment 3820813.83 -305000.0 -0.33 3494961.111 -552000.0 -0.57 -0.64 -0.9657 391 HSCI1_000330 Clc1ccc2NC(=O)CSC(c3ccccc3Cl)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K04 compound treatment 1482042.553 -2640000.0 -2.87 1501434.783 -2550000.0 -2.65 -3.8983 -0.9992 3055003 HSCI1_000331 O=C1c2ccccc2-[n+]3ccc4c5ccccc5[nH]c4c13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K05 compound treatment 2025253.968 -2100000.0 -2.28 1264000.0 -2780000.0 -2.89 -3.6563 -0.993 3055004 HSCI1_000332 Fc1ccc(cc1)C(=O)/C=C/2\C(=O)Nc3ccc(Br)cc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K06 compound treatment 2573811.594 -1550000.0 -1.68 1475652.174 -2570000.0 -2.67 -3.0802 -0.9751 3176336 HSCI1_000333 CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c3ccccc32 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K07 mock treatment 4444395.522 318000.0 0.35 4115166.667 67800.0 0.07 0.294 0.8342 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K08 mock treatment 4392419.708 266000.0 0.29 4256176.923 209000.0 0.22 0.3578 0.9901 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K09 mock treatment 4495625.455 370000.0 0.4 4315912.409 269000.0 0.28 0.4808 0.9844 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K10 mock treatment 4278431.159 152000.0 0.17 4275423.664 228000.0 0.24 0.2845 0.9845 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K11 compound treatment 6020494.624 1890000.0 2.05 5744601.449 1700000.0 1.76 2.6999 0.9971 3055006 HSCI1_000334 COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K12 compound treatment 4486000.0 360000.0 0.39 4334752.727 287000.0 0.3 0.4873 0.9913 3176337 HSCI1_000335 COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccsc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K13 compound treatment 3951569.307 -174000.0 -0.19 3672646.341 -375000.0 -0.39 -0.4091 -0.9449 3055009 HSCI1_000336 CC1=C(O)C(=O)[C@H]2O[C@H]2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K14 compound treatment 3930788.644 -195000.0 -0.21 4361876.494 314000.0 0.33 0.0815 0.2093 1709 HSCI1_000337 NCCCC(O)(P(=O)(O)O)P(=O)(O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K15 mock treatment 4490109.848 364000.0 0.39 4953232.068 906000.0 0.94 0.945 0.9256 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K16 mock treatment 4641668.085 516000.0 0.56 4374221.402 327000.0 0.34 0.6356 0.9715 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K17 compound treatment 3752119.266 -374000.0 -0.41 4120526.531 73100.0 0.08 -0.2329 -0.5646 3176338 HSCI1_000338 CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K18 compound treatment 4673970.085 548000.0 0.59 5014004.484 967000.0 1.0 1.1306 0.9686 1932 HSCI1_000339 OP(=O)(O)Oc1cccc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K19 compound treatment 5214022.727 1090000.0 1.18 5167565.737 1120000.0 1.16 1.6575 1.0 95 HSCI1_000340 CCCCCC(O)/C=C/C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K20 compound treatment 6048951.456 1920000.0 2.09 4992977.974 946000.0 0.98 2.1693 0.9411 3176339 HSCI1_000341 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)C[C@H](O)C3=C)\CCC[C@]12C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K21 mock treatment 5375936.073 1250000.0 1.36 5187491.15 1140000.0 1.19 1.7963 0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K22 mock treatment 5217760.563 1090000.0 1.18 5100415.385 1050000.0 1.09 1.611 0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K23 mock treatment 5374615.044 1250000.0 1.35 4627419.192 580000.0 0.6 1.3837 0.9336 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 K24 mock treatment 4503343.137 377000.0 0.41 4533966.825 487000.0 0.51 0.647 0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L01 mock treatment 4262838.863 137000.0 0.15 4168436.123 121000.0 0.13 0.1939 0.9966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L02 compound treatment 4792165.919 666000.0 0.72 4528930.481 482000.0 0.5 0.8647 0.9839 594 HSCI1_000342 Cc1nc2sccn2c(=O)c1CCN3CCC(=C(c4ccccc4)c5ccc(F)cc5)CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L03 compound treatment 2056118.644 -2070000.0 -2.24 1987990.741 -2060000.0 -2.14 -3.1005 -0.9997 581 HSCI1_000343 Cn1cc(C2=C(C(=O)NC2=O)c3c4CC(CN)CCn4c5ccccc35)c6ccccc16 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L04 compound treatment 1336531.915 -2790000.0 -3.02 1488454.545 -2560000.0 -2.66 -4.0194 -0.9979 1002019 HSCI1_000344 COc1ccc2C3CC[C@]4(C)[C@H](CCC4C3CCc2c1)NCCCCCCN5C(=O)C=CC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L05 compound treatment 4978024.272 852000.0 0.92 5049104.396 1000000.0 1.04 1.3895 0.9982 3055016 HSCI1_000345 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc4ccc(Oc5ccccc5)cc4)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L06 compound treatment 5031186.603 905000.0 0.98 4800512.097 753000.0 0.78 1.2476 0.9937 2348 HSCI1_000346 COc1ccc2C3CC[C@]4(C)[C@H](CCC4C3CCc2c1)NCCCCCCN5C(=O)CCC5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L07 mock treatment 4896866.972 771000.0 0.84 4867862.903 820000.0 0.85 1.1941 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L08 mock treatment 4989129.63 863000.0 0.94 4851664.207 804000.0 0.84 1.2529 0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L09 mock treatment 5066383.065 940000.0 1.02 4894017.699 847000.0 0.88 1.3433 0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L10 mock treatment 4568587.755 443000.0 0.48 5172514.286 1130000.0 1.17 1.1663 0.9226 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L11 compound treatment 4170906.504 45000.0 0.05 4204309.645 157000.0 0.16 0.1498 0.88 582 HSCI1_000347 CN(C)CC1CCn2c(C1)c(C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45)c6ccccc26 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L12 compound treatment 3188211.055 -938000.0 -1.02 3815689.655 -232000.0 -0.24 -0.8892 -0.851 595 HSCI1_000348 Fc1ccc(cc1)C(=C2CCN(CCn3c(=O)c4ccccc4[nH]c3=S)CC2)c5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L13 compound treatment 4277577.778 152000.0 0.16 4381790.875 334000.0 0.35 0.362 0.9416 3176385 HSCI1_000349 NCC1OC(OC2C(N)CC(N)C(O)C2O[C@@H]3OC[C@H](COCC4OCC(O)C(O)C4N)[C@@H]3O)C(N)C(O)C1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L14 compound treatment 1482069.767 -2640000.0 -2.87 1464000.0 -2580000.0 -2.69 -3.9258 -0.9995 3055065 HSCI1_000350 Nc1ncn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L15 mock treatment 4270037.815 144000.0 0.16 4818493.45 771000.0 0.8 0.6772 0.8293 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L16 mock treatment 4181437.299 55500.0 0.06 4678835.664 631000.0 0.66 0.5066 0.7687 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L17 compound treatment 4571697.917 446000.0 0.48 4615744.361 568000.0 0.59 0.7595 0.995 372 HSCI1_000351 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L18 compound treatment 4403915.385 278000.0 0.3 4482493.724 435000.0 0.45 0.5329 0.9805 1367 HSCI1_000352 Cc1cc(O)ccc1Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L19 compound treatment 3601448.649 -524000.0 -0.57 3140812.081 -907000.0 -0.94 -1.0684 -0.9708 3055069 HSCI1_000353 CC/C(=C(\c1ccc(O)cc1)/c2ccc(OCCN(C)C)cc2)/c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L20 compound treatment 4978866.953 853000.0 0.92 5178674.797 1130000.0 1.18 1.4854 0.9929 2237 HSCI1_000354 FS(=O)(=O)Cc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L21 mock treatment 4927021.186 801000.0 0.87 4461831.65 414000.0 0.43 0.9188 0.9477 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L22 mock treatment 4892731.061 767000.0 0.83 4755810.924 708000.0 0.74 1.1086 0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L23 mock treatment 4741417.722 615000.0 0.67 4839840.336 792000.0 0.82 1.0543 0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 L24 mock treatment 4135692.308 9750.0 0.01 4337237.705 290000.0 0.3 0.2205 0.7315 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M01 mock treatment 2995523.622 -1130000.0 -1.23 3098426.295 -949000.0 -0.99 -1.5641 -0.9942 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M02 compound treatment 3409424.71 -717000.0 -0.78 3522125.0 -525000.0 -0.55 -0.9354 -0.9851 1900 HSCI1_000355 COc1ccc2ncnc(NCc3ccc4OCOc4c3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M03 compound treatment 3539199.187 -587000.0 -0.64 3410905.512 -636000.0 -0.66 -0.9177 -0.9998 3055072 HSCI1_000356 Cn1cc(/C=C/2\C(=O)Nc3ccc(cc23)S(=O)(=O)N)c4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M04 compound treatment 3728836.066 -397000.0 -0.43 3698137.931 -349000.0 -0.36 -0.5611 -0.9964 292 HSCI1_000357 O=C1NCc2c1c3c4ccccc4[nH]c3c5[nH]c6ccccc6c25 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M05 compound treatment 3841876.033 -284000.0 -0.31 4367835.749 320000.0 0.33 0.0177 0.0391 907290 HSCI1_000358 CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](O)[C@@]3(C)O[C@](C)(CC(=O)[C@@]32O)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M06 compound treatment 3693838.174 -432000.0 -0.47 3513614.545 -534000.0 -0.55 -0.7236 -0.9965 3055076 HSCI1_000359 NS(=O)(=O)c1ccc(N/C=C/2\C(=O)Nc3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M07 compound treatment 3461602.679 -664000.0 -0.72 3498164.609 -549000.0 -0.57 -0.913 -0.9934 3055122 HSCI1_000360 OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c5cccc1c52 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M08 compound treatment 3142061.017 -984000.0 -1.07 2912244.373 -1140000.0 -1.18 -1.5886 -0.9987 3176387 HSCI1_000361 Nc1cccc(c1)c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M09 mock treatment 3541319.502 -585000.0 -0.63 3935013.889 -112000.0 -0.12 -0.5308 -0.8235 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M10 mock treatment 3699541.85 -426000.0 -0.46 3757827.451 -290000.0 -0.3 -0.5397 -0.9784 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M11 mock treatment 3914809.091 -211000.0 -0.23 4003004.878 -44400.0 -0.05 -0.1945 -0.8329 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M12 mock treatment 3806533.333 -319000.0 -0.35 3839598.425 -208000.0 -0.22 -0.3976 -0.9742 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M13 mock treatment 3691035.156 -435000.0 -0.47 3727154.717 -320000.0 -0.33 -0.5688 -0.9855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M14 mock treatment 3730920.705 -395000.0 -0.43 3773132.159 -274000.0 -0.29 -0.5044 -0.9804 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M15 compound treatment 3525779.661 -600000.0 -0.65 3590899.642 -456000.0 -0.47 -0.7956 -0.988 2796 HSCI1_000362 CCCCCCCC/C=C\CCCCCCCC(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M16 compound treatment 3640159.17 -486000.0 -0.53 3996316.017 -51100.0 -0.05 -0.41 -0.7744 3176388 HSCI1_000363 COC(=O)CC(O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M17 compound treatment 2562152.466 -1560000.0 -1.7 2768309.013 -1280000.0 -1.33 -2.139 -0.9928 1000076 HSCI1_000364 CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M18 compound treatment 3870787.149 -255000.0 -0.28 4081186.992 33800.0 0.04 -0.1708 -0.6124 2058 HSCI1_000365 OC(=O)C1C(C2CCC1O2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M19 compound treatment 3632702.509 -493000.0 -0.53 3648088.561 -399000.0 -0.42 -0.6716 -0.9921 1000072 HSCI1_000366 CC(C)OP(=O)(F)OC(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M20 compound treatment 1523325.581 -2600000.0 -2.82 1537261.905 -2510000.0 -2.61 -3.8403 -0.9992 3176389 HSCI1_000367 CC(=O)O[C@@H]1CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)C4CC=C(C=O)[C@H](C=O)[C@@]14C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M21 compound treatment 3798841.727 -327000.0 -0.35 4396700.935 349000.0 0.36 0.006 0.0117 3176390 HSCI1_000368 CCCC(=O)OC1C(OC2COP(O)(O)OC12)n3cnc4c(=O)[nH]c(NOC(=C)CC)nc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M22 compound treatment 3772756.303 -353000.0 -0.38 3562541.872 -485000.0 -0.5 -0.6271 -0.9908 3055129 HSCI1_000369 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M23 mock treatment 3822739.726 -303000.0 -0.33 3615756.757 -432000.0 -0.45 -0.5497 -0.9883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 M24 mock treatment 3486312.236 -640000.0 -0.69 3103266.187 -944000.0 -0.98 -1.1843 -0.9856 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N01 mock treatment 3375156.951 -751000.0 -0.81 3488301.724 -559000.0 -0.58 -0.9865 -0.9863 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N02 compound treatment 3124166.667 -1000000.0 -1.09 3146061.453 -901000.0 -0.94 -1.4305 -0.9973 600 HSCI1_000370 COC(=O)/C=C/c1cc(O)ccc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N03 compound treatment 3808150.215 -318000.0 -0.34 3784251.429 -263000.0 -0.27 -0.437 -0.9935 630 HSCI1_000371 COc1ccc(cc1)S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N04 compound treatment 3925052.632 -201000.0 -0.22 3974722.689 -72700.0 -0.08 -0.2074 -0.8997 2283 HSCI1_000372 CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N05 compound treatment 4046595.455 -79300.0 -0.09 3735465.306 -312000.0 -0.32 -0.2901 -0.8648 629 HSCI1_000373 COc1ccc(cc1)S(=O)(=O)Nc2ccccc2CN(C)C/C=C/c3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N06 compound treatment 4356123.404 230000.0 0.25 4324933.962 278000.0 0.29 0.3805 0.9974 1884 HSCI1_000374 Cc1ccnc(N)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N07 compound treatment 1822392.857 -2300000.0 -2.5 1905380.952 -2140000.0 -2.23 -3.3404 -0.9984 1918023 HSCI1_000375 CC[n+]1c(/C=C/N(C)c2ccccc2)n(c3ccccc3)c4ccc(cc14)c5nc6ccccc6s5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N08 compound treatment 4156146.018 30200.0 0.03 3773862.963 -274000.0 -0.28 -0.1779 -0.6216 2344 HSCI1_000376 FC(F)(F)C(=O)CC(=O)c1cccs1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N09 mock treatment 4255977.358 130000.0 0.14 4031144.033 -16200.0 -0.02 0.0878 0.618 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N10 mock treatment 4171276.423 45300.0 0.05 4400526.971 353000.0 0.37 0.2943 0.7947 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N11 mock treatment 3864840.278 -261000.0 -0.28 3955063.636 -92300.0 -0.1 -0.268 -0.8967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N12 mock treatment 4073115.079 -52800.0 -0.06 4213545.833 166000.0 0.17 0.0816 0.4486 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N13 mock treatment 3951526.119 -174000.0 -0.19 4205586.066 158000.0 0.16 -0.0175 -0.0696 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N14 mock treatment 4034004.484 -91900.0 -0.1 4134123.288 86700.0 0.09 -0.0067 -0.0501 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N15 compound treatment 4452434.146 326000.0 0.35 4258492.611 211000.0 0.22 0.4055 0.9735 1000048 HSCI1_000377 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N16 compound treatment 4085283.951 -40700.0 -0.04 4278220.264 231000.0 0.24 0.1385 0.5677 2187 HSCI1_000378 O=C(NC1CCCCC1)NC2CCCCC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N17 compound treatment 4035699.153 -90200.0 -0.1 3966102.041 -81300.0 -0.08 -0.1289 -0.9973 2083 HSCI1_000379 CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N18 compound treatment 4005171.429 -121000.0 -0.13 4111768.0 64400.0 0.07 -0.0453 -0.3079 1934 HSCI1_000380 NNC(=N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N19 compound treatment 3618259.136 -508000.0 -0.55 3617020.243 -430000.0 -0.45 -0.7055 -0.9947 30 HSCI1_000381 COC(=O)C1=C(C)NC(=C(C1c2ccccc2C(F)(F)F)[N+](=O)[O-])C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N20 compound treatment 2130625.0 -2000000.0 -2.16 2429246.377 -1620000.0 -1.68 -2.7191 -0.9923 420 HSCI1_000382 CCN1C(=O)C=CC1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N21 compound treatment 3892991.453 -233000.0 -0.25 3904023.81 -143000.0 -0.15 -0.284 -0.9683 3054850 HSCI1_000383 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N22 compound treatment 3381889.734 -744000.0 -0.81 3306340.336 -741000.0 -0.77 -1.1151 -0.9997 2003 HSCI1_000384 CNC1CCc2cc(OC)c(OC)c(OC)c2-c3ccc(OC)c(=O)cc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N23 mock treatment 3525651.079 -600000.0 -0.65 3626042.969 -421000.0 -0.44 -0.7699 -0.9814 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 N24 mock treatment 3477135.802 -649000.0 -0.7 3308101.852 -739000.0 -0.77 -1.0408 -0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O01 mock treatment 3066833.333 -1060000.0 -1.15 3160318.966 -887000.0 -0.92 -1.464 -0.9941 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O02 mock treatment 3557199.115 -569000.0 -0.62 3608295.833 -439000.0 -0.46 -0.7588 -0.989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O03 compound treatment 3614774.194 -511000.0 -0.55 3207758.621 -840000.0 -0.87 -1.009 -0.976 3054852 HSCI1_000385 O=C/1Nc2ccc(cc2\C1=C\c3ccc[nH]3)c4cccnc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O04 compound treatment 3943797.468 -182000.0 -0.2 3363827.957 -684000.0 -0.71 -0.642 -0.8706 3176393 HSCI1_000386 Cn1nc(N)c2cn(C3OC(CO)C(O)C3O)c4ncnc1c24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O05 compound treatment 3885009.009 -241000.0 -0.26 3255729.258 -792000.0 -0.82 -0.7666 -0.8879 3176394 HSCI1_000387 C1CCC(CC1)Nc2nc(Nc3ccc(cc3)N4CCOCC4)nc5[nH]cnc25 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O06 compound treatment 3572732.759 -553000.0 -0.6 3182758.741 -865000.0 -0.9 -1.0596 -0.9807 575 HSCI1_000388 O=C1NC(=O)C(=C1c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O07 compound treatment 2981141.079 -1140000.0 -1.24 3049049.793 -998000.0 -1.04 -1.6115 -0.996 3176395 HSCI1_000389 CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](N2C1=O)c5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O08 compound treatment 3591388.889 -535000.0 -0.58 3532280.156 -515000.0 -0.54 -0.7884 -0.9992 2116778 HSCI1_000390 CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O09 compound treatment 3660303.318 -466000.0 -0.5 3608030.702 -439000.0 -0.46 -0.6799 -0.9987 3176396 HSCI1_000391 CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c3ncn(C(C)C)c3n1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O10 compound treatment 4263823.045 138000.0 0.15 4291358.491 244000.0 0.25 0.285 0.9682 676 HSCI1_000392 COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O11 mock treatment 4474818.182 349000.0 0.38 4203598.361 156000.0 0.16 0.3823 0.9287 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O12 mock treatment 4039086.777 -86900.0 -0.09 4127293.233 79900.0 0.08 -0.0079 -0.0626 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O13 mock treatment 4308990.566 183000.0 0.2 4307665.323 260000.0 0.27 0.3316 0.9884 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O14 mock treatment 4332184.466 206000.0 0.22 4444834.906 397000.0 0.41 0.4502 0.9585 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O15 compound treatment 4304000.0 178000.0 0.19 4789778.302 742000.0 0.77 0.6822 0.8576 1398 HSCI1_000393 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O16 compound treatment 4249534.351 124000.0 0.13 4291621.324 244000.0 0.25 0.2743 0.9554 2060355 HSCI1_000394 CC1=C(C=C)/C(=C/c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)/NC1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O17 compound treatment 4222354.086 96400.0 0.1 4379853.659 332000.0 0.35 0.3183 0.8816 1929 HSCI1_000395 Nc1cccc2c(=O)[nH]ccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O18 compound treatment 4368479.452 243000.0 0.26 4284288.462 237000.0 0.25 0.3601 0.9995 2286 HSCI1_000396 CCSC(=N)N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O19 compound treatment 4639878.151 514000.0 0.56 4361669.421 314000.0 0.33 0.625 0.9676 23 HSCI1_000397 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O20 compound treatment 2600881.944 -1530000.0 -1.65 2920248.062 -1130000.0 -1.17 -1.9977 -0.9858 3054913 HSCI1_000398 Cc1ccc(cc1)S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)CCl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O21 compound treatment 4605975.49 480000.0 0.52 4134082.251 86700.0 0.09 0.4318 0.8174 3176397 HSCI1_000399 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C/3\C[C@@H](O)C[C@H](O)C3=C)/CCC[C@@]12C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O22 compound treatment 4000778.182 -125000.0 -0.14 4407288.618 360000.0 0.37 0.1686 0.4236 988 HSCI1_000400 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O23 mock treatment 4027662.037 -98300.0 -0.11 4137025.641 89600.0 0.09 -0.0095 -0.0669 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 O24 mock treatment 3236024.39 -890000.0 -0.96 3470794.258 -577000.0 -0.6 -1.1061 -0.9738 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P01 mock treatment 3415813.636 -710000.0 -0.77 2797103.734 -1250000.0 -1.3 -1.4634 -0.9688 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P02 mock treatment 3691158.333 -435000.0 -0.47 2986375.912 -1060000.0 -1.1 -1.1132 -0.9281 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P03 mock treatment 3755735.294 -370000.0 -0.4 3185983.607 -861000.0 -0.9 -0.9169 -0.9345 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P04 mock treatment 3652621.723 -473000.0 -0.51 3938712.446 -109000.0 -0.11 -0.4428 -0.8426 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P05 mock treatment 4111169.355 -14800.0 -0.02 3654729.358 -393000.0 -0.41 -0.2999 -0.7343 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P06 mock treatment 4235353.191 109000.0 0.12 3800262.009 -247000.0 -0.26 -0.0977 -0.3455 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P07 mock treatment 3903782.101 -222000.0 -0.24 3623015.81 -424000.0 -0.44 -0.4822 -0.9595 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P08 mock treatment 3707199.234 -419000.0 -0.45 3799032.787 -248000.0 -0.26 -0.5036 -0.9642 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P09 mock treatment 4015060.345 -111000.0 -0.12 3942421.569 -105000.0 -0.11 -0.1622 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P10 mock treatment 3863062.5 -263000.0 -0.29 3954280.952 -93100.0 -0.1 -0.27 -0.8969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P11 mock treatment 3545105.932 -581000.0 -0.63 3575800.0 -472000.0 -0.49 -0.7919 -0.9923 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P12 mock treatment 3848720.183 -277000.0 -0.3 4008958.678 -38400.0 -0.04 -0.2408 -0.7941 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P13 mock treatment 4191213.636 65300.0 0.07 3342508.961 -705000.0 -0.73 -0.468 -0.6358 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P14 mock treatment 3933287.037 -193000.0 -0.21 3793017.937 -254000.0 -0.26 -0.3347 -0.9932 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P15 mock treatment 3757628.458 -368000.0 -0.4 3975129.555 -72300.0 -0.08 -0.3355 -0.8256 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P16 mock treatment 3308238.095 -818000.0 -0.89 3660906.977 -386000.0 -0.4 -0.911 -0.9359 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P17 mock treatment 3015958.084 -1110000.0 -1.2 3712910.314 -334000.0 -0.35 -1.0968 -0.8756 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P18 mock treatment 3856187.5 -270000.0 -0.29 3732287.037 -315000.0 -0.33 -0.4384 -0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P19 mock treatment 4030036.437 -95900.0 -0.1 3662595.819 -385000.0 -0.4 -0.3563 -0.8623 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P20 mock treatment 3694030.189 -432000.0 -0.47 3187211.538 -860000.0 -0.89 -0.9634 -0.9545 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P21 mock treatment 3423214.035 -703000.0 -0.76 3572895.161 -474000.0 -0.49 -0.8875 -0.9778 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P22 mock treatment 3357872.659 -768000.0 -0.83 3070986.254 -976000.0 -1.01 -1.3065 -0.9952 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P23 mock treatment 3370680.0 -755000.0 -0.82 3388358.423 -659000.0 -0.69 -1.0634 -0.9961 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2105 P24 mock treatment 2987821.101 -1140000.0 -1.23 3254354.978 -793000.0 -0.82 -1.4554 -0.9808 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A01 compound treatment 3404558.559 -897000.0 -0.97 3111694.836 -832000.0 -0.86 -1.2987 -0.9983 3220649 PK04_107001 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A02 compound treatment 3232530.435 -1070000.0 -1.16 3294900.862 -648000.0 -0.67 -1.2959 -0.9667 3188507 PK04_107002 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(o3)c4ccc(Cl)c(Cl)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A03 compound treatment 3174383.673 -1130000.0 -1.22 3220018.018 -723000.0 -0.75 -1.3956 -0.9728 3220651 PK04_107003 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4cncn4C)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A04 compound treatment 3541101.124 -760000.0 -0.82 3608768.293 -335000.0 -0.35 -0.8287 -0.9263 3070126 PK04_107004 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A05 compound treatment 3694506.383 -607000.0 -0.66 3483240.31 -460000.0 -0.48 -0.8033 -0.9877 3220653 PK04_107005 CCCCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A06 compound treatment 3780343.612 -521000.0 -0.56 3401406.25 -542000.0 -0.56 -0.7977 -1.0 3070127 PK04_107006 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A07 compound treatment 4134928.571 -166000.0 -0.18 3720836.134 -222000.0 -0.23 -0.291 -0.9925 3220655 PK04_107007 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A08 compound treatment 3664404.858 -637000.0 -0.69 3320238.532 -623000.0 -0.65 -0.9462 -0.9995 3070128 PK04_107008 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3CO[Si](C(C)C)(C(C)C)c31 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A09 compound treatment 3568801.471 -732000.0 -0.79 3269348.592 -674000.0 -0.7 -1.0569 -0.998 3220657 PK04_107009 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)c3ccccn3)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A10 compound treatment 3994369.668 -307000.0 -0.33 3602782.828 -340000.0 -0.35 -0.4856 -0.9995 3070129 PK04_107010 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A11 compound treatment 4153171.053 -148000.0 -0.16 3487120.438 -456000.0 -0.47 -0.4488 -0.8966 3220659 PK04_107011 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A12 compound treatment 4026085.366 -275000.0 -0.3 3883604.255 -59700.0 -0.06 -0.2548 -0.8362 3188513 PK04_107012 CCCCCCc1nc(CCCc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)cc4CO[Si](C(C)C)(C(C)C)c41 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A13 mock treatment 4152914.286 -148000.0 -0.16 3764110.687 -179000.0 -0.19 -0.2454 -0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A14 mock treatment 4166495.495 -135000.0 -0.15 3538738.806 -405000.0 -0.42 -0.4007 -0.9001 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A15 compound treatment 4302315.353 1030.0 0.0 3737945.946 -205000.0 -0.21 -0.1501 -0.7034 3220661 PK04_107013 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A16 compound treatment 3734793.103 -566000.0 -0.61 3167565.445 -776000.0 -0.81 -1.0044 -0.991 3188514 PK04_107014 CCCCCCc1nc(c2ccc(o2)c3ccc(Cl)c(Cl)c3)c(C)c4CO[Si](C(C)C)(C(C)C)c41 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A17 compound treatment 3928524.017 -373000.0 -0.4 3933864.865 -9410.0 -0.01 -0.2927 -0.724 3220663 PK04_107015 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3ccccc3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A18 compound treatment 4021719.626 -280000.0 -0.3 3685860.87 -257000.0 -0.27 -0.4035 -0.9981 3070178 PK04_107016 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A19 compound treatment 4325343.22 24100.0 0.03 4186932.203 244000.0 0.25 0.1975 0.7758 3220665 PK04_107017 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A20 compound treatment 4014310.345 -287000.0 -0.31 4040320.0 97000.0 0.1 -0.1487 -0.4546 3070179 PK04_107018 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A21 compound treatment 4116229.268 -185000.0 -0.2 3760129.187 -183000.0 -0.19 -0.2765 -0.9997 3220667 PK04_107019 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A22 compound treatment 3910038.136 -391000.0 -0.42 3592572.016 -351000.0 -0.36 -0.5577 -0.9971 3070180 PK04_107020 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A23 compound treatment 4099754.386 -202000.0 -0.22 3625817.544 -317000.0 -0.33 -0.3878 -0.98 3220669 PK04_107021 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 A24 compound treatment 3285320.574 -1020000.0 -1.1 3216074.074 -727000.0 -0.76 -1.3134 -0.9831 3070181 PK04_107022 CCCCCCc1nc(C2CC2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B01 compound treatment 3210145.833 -1090000.0 -1.18 3562779.817 -380000.0 -0.4 -1.1162 -0.8948 3188518 PK04_107023 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B02 compound treatment 3922551.57 -379000.0 -0.41 4207145.54 264000.0 0.27 -0.0964 -0.1953 3188519 PK04_107024 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B03 compound treatment 4269315.315 -32000.0 -0.03 4297795.652 355000.0 0.37 0.2361 0.6378 3070182 PK04_107025 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B04 compound treatment 4516266.932 215000.0 0.23 4236200.855 293000.0 0.3 0.3801 0.9913 3188520 PK04_107026 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B05 compound treatment 3821114.815 -480000.0 -0.52 4160294.821 217000.0 0.23 -0.2086 -0.3677 3188521 PK04_107027 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B06 compound treatment 4386566.038 85300.0 0.09 4210975.61 268000.0 0.28 0.2621 0.894 3070183 PK04_107028 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B07 compound treatment 4363975.124 62700.0 0.07 4436093.333 493000.0 0.51 0.4103 0.794 3188640 PK04_107029 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B08 compound treatment 4177697.115 -124000.0 -0.13 4482796.02 540000.0 0.56 0.3018 0.5234 3188641 PK04_107030 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B09 compound treatment 4566778.761 265000.0 0.29 4204982.906 262000.0 0.27 0.3959 0.9996 3070184 PK04_107031 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B10 compound treatment 4195559.633 -106000.0 -0.11 3988917.695 45600.0 0.05 -0.0475 -0.3829 3188642 PK04_107032 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B11 compound treatment 4788779.592 487000.0 0.53 4456176.0 513000.0 0.53 0.7507 1.0 3070185 PK04_107033 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B12 compound treatment 4347759.336 46500.0 0.05 3959101.563 15800.0 0.02 0.0473 0.8917 3188643 PK04_107034 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B13 mock treatment 4594626.168 293000.0 0.32 4081080.357 138000.0 0.14 0.3262 0.9351 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B14 mock treatment 4463609.865 162000.0 0.18 4311779.343 369000.0 0.38 0.3953 0.9378 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B15 compound treatment 4270815.92 -30500.0 -0.03 4288340.807 345000.0 0.36 0.2303 0.6393 3188644 PK04_107035 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B16 compound treatment 4786206.349 485000.0 0.53 4243007.874 300000.0 0.31 0.5921 0.9688 3070186 PK04_107036 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B17 compound treatment 4228854.772 -72400.0 -0.08 4438527.897 495000.0 0.51 0.3085 0.5924 3188645 PK04_107037 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B18 compound treatment 4475735.537 174000.0 0.19 4355352.518 412000.0 0.43 0.4366 0.9325 3188646 PK04_107038 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B19 compound treatment 4709009.217 408000.0 0.44 4321451.754 378000.0 0.39 0.5906 0.9983 3070187 PK04_107039 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B20 compound treatment 4704195.349 403000.0 0.44 4572529.915 629000.0 0.65 0.7714 0.9808 3188647 PK04_107040 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B21 compound treatment 3951967.742 -349000.0 -0.38 3427648.069 -516000.0 -0.54 -0.6468 -0.9856 3188648 PK04_107041 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B22 compound treatment 4109902.222 -191000.0 -0.21 3523555.556 -420000.0 -0.44 -0.4552 -0.9423 3070188 PK04_107042 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B23 compound treatment 3668064.22 -633000.0 -0.69 3420146.444 -523000.0 -0.54 -0.87 -0.9933 3188649 PK04_107043 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 B24 compound treatment 3006170.29 -1300000.0 -1.4 3970813.131 27500.0 0.03 -0.9727 -0.6925 3188650 PK04_107044 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C01 compound treatment 3176843.902 -1120000.0 -1.22 2995261.538 -948000.0 -0.99 -1.5589 -0.9944 3414054 PK04_107045 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C02 compound treatment 3951009.259 -350000.0 -0.38 3937949.541 -5320.0 -0.01 -0.2725 -0.7173 3188651 PK04_107046 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C03 compound treatment 4091341.772 -210000.0 -0.23 3715261.062 -228000.0 -0.24 -0.3285 -0.9998 3414055 PK04_107047 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(Cc4ccccc4)nn3)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C04 compound treatment 4310024.038 8740.0 0.01 4011862.559 68600.0 0.07 0.0571 0.7941 3070235 PK04_107048 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4cc(C)c(OC)c(C)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C05 compound treatment 4513665.049 212000.0 0.23 4138657.407 195000.0 0.2 0.3064 0.998 3414056 PK04_107049 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C06 compound treatment 3931924.623 -369000.0 -0.4 3790139.013 -153000.0 -0.16 -0.3957 -0.9183 3070236 PK04_107050 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(OC)nc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C07 compound treatment 4435407.583 134000.0 0.15 4046052.863 103000.0 0.11 0.1784 0.9885 3414057 PK04_107051 CCCCc1cn(C[C@@H]2CCCN2C(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C08 compound treatment 4111821.053 -189000.0 -0.21 3790906.25 -152000.0 -0.16 -0.2572 -0.9917 3188655 PK04_107052 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3[C@@H](O[Si](C(C)C)(C(C)C)c31)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C09 compound treatment 3920678.261 -381000.0 -0.41 4002845.745 59600.0 0.06 -0.248 -0.5944 3220705 PK04_107053 CCc1oc(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCCC3)c(C(=O)OC)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C10 compound treatment 3906451.429 -395000.0 -0.43 3565951.22 -377000.0 -0.39 -0.58 -0.999 3188656 PK04_107054 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C11 mock treatment 4339213.953 37900.0 0.04 3823488.584 -120000.0 -0.12 -0.059 -0.4496 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C12 mock treatment 4068061.224 -233000.0 -0.25 3805431.718 -138000.0 -0.14 -0.2801 -0.9638 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C13 compound treatment 4102005.882 -199000.0 -0.22 4156820.276 214000.0 0.22 0.0042 0.0135 3220708 PK04_107055 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C14 compound treatment 4212704.433 -88600.0 -0.1 4142738.532 199000.0 0.21 0.0787 0.3444 3188772 PK04_107056 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C15 mock treatment 4142236.842 -159000.0 -0.17 4001440.415 58200.0 0.06 -0.0792 -0.4333 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C16 mock treatment 4086556.757 -215000.0 -0.23 3901008.547 -42300.0 -0.04 -0.1957 -0.826 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C17 compound treatment 4318538.889 17300.0 0.02 3936550.505 -6720.0 -0.01 0.0083 0.4151 3220711 PK04_107057 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C18 compound treatment 4294079.07 -7200.0 -0.01 3881785.047 -61500.0 -0.06 -0.0507 -0.7877 3070242 PK04_107058 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C19 compound treatment 4193507.109 -108000.0 -0.12 4038212.121 94900.0 0.1 -0.0129 -0.084 3220713 PK04_107059 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4N)oc(C(=O)C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C20 compound treatment 4625202.02 324000.0 0.35 4180169.082 237000.0 0.25 0.4225 0.9849 3070245 PK04_107060 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C21 compound treatment 4094485.714 -207000.0 -0.22 3853747.423 -89500.0 -0.09 -0.2243 -0.9241 3220715 PK04_107061 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C22 compound treatment 4211538.889 -89700.0 -0.1 3727364.807 -216000.0 -0.22 -0.2275 -0.93 3070527 PK04_107062 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C23 compound treatment 3617246.575 -684000.0 -0.74 3294110.656 -649000.0 -0.67 -1.0016 -0.9989 3220717 PK04_107063 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 C24 compound treatment 3203558.442 -1100000.0 -1.19 3036184.874 -907000.0 -0.94 -1.5083 -0.9933 3070530 PK04_107064 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)C4CC4)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D01 compound treatment 3376917.476 -924000.0 -1.0 2687314.961 -1260000.0 -1.31 -1.6318 -0.9915 3188777 PK04_107065 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D02 compound treatment 3907886.139 -393000.0 -0.43 3941120.603 -2150.0 0.0 -0.3032 -0.7108 3188778 PK04_107066 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D03 compound treatment 3929294.118 -372000.0 -0.4 3604488.987 -339000.0 -0.35 -0.5342 -0.9977 3070575 PK04_107067 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D04 compound treatment 4017429.224 -284000.0 -0.31 3480868.726 -462000.0 -0.48 -0.5575 -0.9768 3188779 PK04_107068 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D05 compound treatment 4158528.037 -143000.0 -0.15 4051826.923 109000.0 0.11 -0.0297 -0.1549 3188780 PK04_107069 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D06 compound treatment 4309798.995 8520.0 0.01 3839125.0 -104000.0 -0.11 -0.07 -0.6444 3070579 PK04_107070 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D07 compound treatment 4149066.39 -152000.0 -0.17 4027817.021 84500.0 0.09 -0.0546 -0.2918 3188781 PK04_107071 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D08 compound treatment 3883303.03 -418000.0 -0.45 3911583.333 -31700.0 -0.03 -0.3438 -0.7565 3188782 PK04_107072 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D09 compound treatment 4268476.852 -32800.0 -0.04 3807020.408 -136000.0 -0.14 -0.1253 -0.8581 3188783 PK04_107073 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D10 compound treatment 3852887.387 -448000.0 -0.49 3743622.642 -200000.0 -0.21 -0.4905 -0.9279 3070632 PK04_107074 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D11 mock treatment 4339502.283 38200.0 0.04 3932059.459 -11200.0 -0.01 0.0211 0.4893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D12 mock treatment 3958380.711 -343000.0 -0.37 3537051.402 -406000.0 -0.42 -0.5615 -0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D13 compound treatment 4108233.831 -193000.0 -0.21 3923653.659 -19600.0 -0.02 -0.1624 -0.7723 3188784 PK04_107075 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D14 compound treatment 3971805.263 -329000.0 -0.36 4014925.926 71700.0 0.07 -0.1999 -0.5479 3188785 PK04_107076 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D15 mock treatment 4337500.0 36200.0 0.04 3506599.206 -437000.0 -0.45 -0.2932 -0.6435 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D16 mock treatment 4386720.379 85400.0 0.09 3390461.818 -553000.0 -0.57 -0.3408 -0.5855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D17 compound treatment 3681339.552 -620000.0 -0.67 4338233.766 395000.0 0.41 -0.185 -0.2349 3070637 PK04_107077 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D18 compound treatment 4014640.909 -287000.0 -0.31 3474542.289 -469000.0 -0.49 -0.5643 -0.9764 3188786 PK04_107078 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D19 compound treatment 3674404.181 -627000.0 -0.68 3519666.667 -424000.0 -0.44 -0.792 -0.9779 3188787 PK04_107079 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D20 compound treatment 4211587.444 -89700.0 -0.1 3717965.217 -225000.0 -0.23 -0.2344 -0.9242 3070641 PK04_107080 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D21 compound treatment 3988433.18 -313000.0 -0.34 3478161.702 -465000.0 -0.48 -0.5817 -0.985 3188905 PK04_107081 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D22 compound treatment 3772004.717 -529000.0 -0.57 3202529.412 -741000.0 -0.77 -0.9502 -0.9895 3188906 PK04_107082 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D23 compound treatment 3670229.787 -631000.0 -0.68 3325959.677 -617000.0 -0.64 -0.9375 -0.9995 3070684 PK04_107083 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 D24 compound treatment 2876528.62 -1420000.0 -1.54 3197085.366 -746000.0 -0.78 -1.6408 -0.9492 3188907 PK04_107084 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E01 mock treatment 3443644.55 -858000.0 -0.93 3441461.224 -502000.0 -0.52 -1.0264 -0.9626 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E02 mock treatment 4192853.081 -108000.0 -0.12 4333801.98 391000.0 0.41 0.2039 0.4825 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E03 compound treatment 4043003.636 -258000.0 -0.28 4216222.222 273000.0 0.28 0.0026 0.0065 3220739 PK04_107085 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E04 compound treatment 4764855.072 464000.0 0.5 3761513.308 -182000.0 -0.19 0.2218 0.4131 3070690 PK04_107086 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C(=C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E05 compound treatment 4588720.588 287000.0 0.31 4236126.531 293000.0 0.3 0.4356 0.9999 3220741 PK04_107087 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E06 compound treatment 4128237.5 -173000.0 -0.19 4427221.053 484000.0 0.5 0.223 0.4154 3070694 PK04_107088 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E07 compound treatment 4520148.472 219000.0 0.24 4056635.246 113000.0 0.12 0.2511 0.9478 3220743 PK04_107089 COCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)N4CCOCC4)c(C(=O)OC)c3C(=O)OC)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E08 compound treatment 4201423.913 -99900.0 -0.11 3896766.667 -46500.0 -0.05 -0.1107 -0.9339 3188910 PK04_107090 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)c5ccc(o5)c6ccc(Cl)c(Cl)c6)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E09 mock treatment 4611291.005 310000.0 0.34 4442537.736 499000.0 0.52 0.6046 0.9779 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E10 mock treatment 4537364.0 236000.0 0.26 4601795.0 659000.0 0.68 0.665 0.91 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E11 compound treatment 4412588.0 111000.0 0.12 4434945.274 492000.0 0.51 0.4467 0.8507 3188911 PK04_107091 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E12 compound treatment 4560463.83 259000.0 0.28 4531871.921 589000.0 0.61 0.6313 0.9377 3070742 PK04_107092 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E13 compound treatment 4343364.286 42100.0 0.05 4313830.645 371000.0 0.39 0.3046 0.7854 3188912 PK04_107093 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](C)Cn3cc(CN(C)C2=O)nn3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E14 compound treatment 4774636.816 473000.0 0.51 4659906.736 717000.0 0.74 0.8896 0.9835 3070746 PK04_107094 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E15 compound treatment 4238426.966 -62900.0 -0.07 4400019.324 457000.0 0.47 0.2875 0.5995 3188913 PK04_107095 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E16 compound treatment 4129102.113 -172000.0 -0.19 4544616.438 601000.0 0.63 0.31 0.4752 3070750 PK04_107096 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E17 mock treatment 4859446.009 558000.0 0.61 4328653.409 385000.0 0.4 0.7112 0.9799 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E18 mock treatment 5187409.326 886000.0 0.96 4090221.698 147000.0 0.15 0.7874 0.8094 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E19 compound treatment 5475782.609 1170000.0 1.27 4518569.149 575000.0 0.6 1.3233 0.9406 3220747 PK04_107097 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCCC2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E20 compound treatment 5097753.769 796000.0 0.86 3902121.951 -41100.0 -0.04 0.5804 0.6713 3188915 PK04_107098 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E21 compound treatment 4509125.0 208000.0 0.23 3783400.0 -160000.0 -0.17 0.0418 0.1495 3220749 PK04_107099 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCC(C)C)oc(C(=O)Cc2ccccc2)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E22 compound treatment 4281854.626 -19400.0 -0.02 4021920.188 78600.0 0.08 0.0429 0.5083 3070803 PK04_107100 CC(C)[Si](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)(C#Cc3ccc(Oc4ccccc4)cc3)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E23 compound treatment 3949374.429 -352000.0 -0.38 3711153.846 -232000.0 -0.24 -0.4404 -0.9756 3220751 PK04_107101 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2ccc(OC)cc2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 E24 compound treatment 4045796.813 -255000.0 -0.28 3894669.951 -48600.0 -0.05 -0.2316 -0.8225 3070808 PK04_107102 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)c6ccccc6)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F01 mock treatment 3536891.403 -764000.0 -0.83 3515638.191 -428000.0 -0.44 -0.9004 -0.9573 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F02 mock treatment 4329719.807 28400.0 0.03 4282392.523 339000.0 0.35 0.271 0.766 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F03 compound treatment 4155171.171 -146000.0 -0.16 3812849.265 -130000.0 -0.14 -0.2079 -0.997 3188918 PK04_107103 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F04 compound treatment 4503059.908 202000.0 0.22 3976848.889 33600.0 0.03 0.1794 0.8097 3188919 PK04_107104 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F05 compound treatment 4653614.679 352000.0 0.38 3930004.484 -13300.0 -0.01 0.2604 0.6811 3188920 PK04_107105 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F06 compound treatment 4542341.991 241000.0 0.26 4134776.256 192000.0 0.2 0.3256 0.991 3188921 PK04_107106 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F07 compound treatment 4305533.333 4250.0 0.0 4220396.907 277000.0 0.29 0.2069 0.7183 3070852 PK04_107107 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F08 compound treatment 4255971.698 -45300.0 -0.05 3944833.977 1560.0 0.0 -0.0336 -0.6834 3188922 PK04_107108 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F09 mock treatment 3947853.933 -353000.0 -0.38 4046755.0 103000.0 0.11 -0.1949 -0.4897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F10 mock treatment 4152182.156 -149000.0 -0.16 3984438.931 41200.0 0.04 -0.0841 -0.5026 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F11 compound treatment 4127679.654 -174000.0 -0.19 4018792.135 75500.0 0.08 -0.0776 -0.3805 3189029 PK04_107109 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F12 compound treatment 3658375.427 -643000.0 -0.7 4047766.393 104000.0 0.11 -0.4161 -0.5898 3070859 PK04_107110 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F13 compound treatment 4001435.146 -300000.0 -0.33 4384705.069 441000.0 0.46 0.0946 0.1681 3189030 PK04_107111 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F14 compound treatment 4502102.804 201000.0 0.22 3836718.631 -107000.0 -0.11 0.0757 0.3097 3189031 PK04_107112 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F15 compound treatment 4185084.034 -116000.0 -0.13 3736942.966 -206000.0 -0.21 -0.2407 -0.9679 3070862 PK04_107113 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F16 compound treatment 4531821.138 231000.0 0.25 4170468.401 227000.0 0.24 0.3437 0.9996 3189032 PK04_107114 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F17 mock treatment 4093816.667 -207000.0 -0.22 3780353.612 -163000.0 -0.17 -0.2788 -0.9902 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F18 mock treatment 4287288.973 -14000.0 -0.02 3799263.941 -144000.0 -0.15 -0.1166 -0.7748 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F19 compound treatment 4436762.295 135000.0 0.15 4025982.979 82700.0 0.09 0.1647 0.9674 3189033 PK04_107115 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F20 compound treatment 4307109.756 5830.0 0.01 3434496.599 -509000.0 -0.53 -0.3695 -0.6986 3070022 PK04_107116 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F21 compound treatment 3738513.109 -563000.0 -0.61 3661069.106 -282000.0 -0.29 -0.6389 -0.9437 3189034 PK04_107117 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F22 compound treatment 3627311.419 -674000.0 -0.73 3721070.833 -222000.0 -0.23 -0.68 -0.8873 3189035 PK04_107118 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F23 compound treatment 4104806.306 -196000.0 -0.21 3686545.455 -257000.0 -0.27 -0.3393 -0.9938 3070031 PK04_107119 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 F24 compound treatment 4020044.643 -281000.0 -0.3 3799693.467 -144000.0 -0.15 -0.3211 -0.946 3189036 PK04_107120 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G01 compound treatment 3694392.694 -607000.0 -0.66 3368566.964 -575000.0 -0.6 -0.8877 -0.9988 3220772 PK04_107121 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCc2c[nH]c3ccccc23)oc(C(=O)Cc4ccccc4)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G02 compound treatment 3758263.736 -543000.0 -0.59 3987060.606 43800.0 0.05 -0.3841 -0.6505 3070078 PK04_107122 CC[C@@H]1O[Si](C(C)C)(C(C)C)c2c1cc(nc2c3ccc(Oc4ccccc4)cc3)c5cc(C)c(OC)c(C)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G03 mock treatment 4009728.745 -292000.0 -0.32 3529756.654 -414000.0 -0.43 -0.5275 -0.9886 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G04 mock treatment 4023404.082 -278000.0 -0.3 3941472.973 -1800.0 0.0 -0.2144 -0.7115 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G05 compound treatment 4393239.234 92000.0 0.1 4000180.995 56900.0 0.06 0.1123 0.9689 3220775 PK04_107123 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2nc[nH]n2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G06 compound treatment 3970639.13 -331000.0 -0.36 3919931.937 -23300.0 -0.02 -0.2707 -0.7532 3070081 PK04_107124 CC(C)[Si]1(OCc2c1c(nc(c3ccc(o3)c4ccc(Cl)c(Cl)c4)c2C)c5ccccc5)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G07 compound treatment 3602597.656 -699000.0 -0.76 3979873.874 36600.0 0.04 -0.5088 -0.6708 3189039 PK04_107125 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G08 compound treatment 4129163.043 -172000.0 -0.19 3616357.724 -327000.0 -0.34 -0.3722 -0.9602 3189040 PK04_107126 COc1c(C)cc(cc1C)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G09 compound treatment 3758857.678 -542000.0 -0.59 4095371.859 152000.0 0.16 -0.3041 -0.4993 3070086 PK04_107127 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(CCCNC(=N)N)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G10 compound treatment 4283889.328 -17400.0 -0.02 3780252.336 -163000.0 -0.17 -0.1331 -0.781 3189041 PK04_107128 COc1ccc(cn1)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G11 compound treatment 3815232.283 -486000.0 -0.53 3872975.0 -70300.0 -0.07 -0.4243 -0.7975 3070089 PK04_107129 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G12 compound treatment 4520862.245 220000.0 0.24 3688808.594 -254000.0 -0.26 -0.0187 -0.0525 3189042 PK04_107130 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G13 compound treatment 4099581.59 -202000.0 -0.22 3897925.926 -45300.0 -0.05 -0.188 -0.8402 3070134 PK04_107131 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)C3(O)CCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G14 compound treatment 4717100.806 416000.0 0.45 3886910.156 -56400.0 -0.06 0.2774 0.6101 3070137 PK04_107132 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G15 compound treatment 4964617.778 663000.0 0.72 3975068.826 31800.0 0.03 0.5319 0.7388 3189043 PK04_107133 N[C@@H](Cc1ccccc1)Cn2cc(nn2)C3(O)CCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G16 compound treatment 3821043.689 -480000.0 -0.52 3511423.963 -432000.0 -0.45 -0.6856 -0.9973 3189044 PK04_107134 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G17 compound treatment 4930790.598 630000.0 0.68 4143288.043 200000.0 0.21 0.6296 0.8825 3070143 PK04_107135 N[C@@H](Cc1ccccc1)Cn2cc(nn2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G18 compound treatment 4904518.325 603000.0 0.65 4178032.787 235000.0 0.24 0.635 0.9097 3189045 PK04_107136 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)C4CC4)c5ccccc5)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G19 mock treatment 4498544.118 197000.0 0.21 3771515.625 -172000.0 -0.18 0.025 0.0897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G20 mock treatment 5081698.98 780000.0 0.85 4175831.373 233000.0 0.24 0.7693 0.8741 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G21 compound treatment 5184809.129 884000.0 0.96 4343942.708 401000.0 0.42 0.9719 0.9304 3070191 PK04_107137 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(Cc3ccccc3)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G22 compound treatment 3173296.552 -1130000.0 -1.22 2916314.607 -1030000.0 -1.07 -1.6196 -0.9977 3189046 PK04_107138 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G23 compound treatment 4826522.936 525000.0 0.57 4637900.498 695000.0 0.72 0.9132 0.9931 3070196 PK04_107139 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 G24 compound treatment 4323840.206 22600.0 0.02 4122794.643 180000.0 0.19 0.1492 0.793 3189047 PK04_107140 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H01 compound treatment 3591169.811 -710000.0 -0.77 3553559.471 -390000.0 -0.41 -0.8309 -0.955 3189157 PK04_107141 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H02 compound treatment 4732980.198 432000.0 0.47 4579260.87 636000.0 0.66 0.7984 0.9857 3189158 PK04_107142 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H03 mock treatment 4712632.85 411000.0 0.45 4300280.992 357000.0 0.37 0.5778 0.9958 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H04 mock treatment 4619912.281 319000.0 0.35 4786849.765 844000.0 0.88 0.8643 0.9171 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H05 compound treatment 4319615.044 18300.0 0.02 4336031.818 393000.0 0.41 0.3027 0.7407 3070201 PK04_107143 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H06 compound treatment 4213785.425 -87500.0 -0.09 4292947.867 350000.0 0.36 0.1899 0.5056 3189159 PK04_107144 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H07 compound treatment 4102150.735 -199000.0 -0.22 3962811.111 19500.0 0.02 -0.1383 -0.6378 3071172 PK04_107145 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H08 compound treatment 3755414.035 -546000.0 -0.59 3535815.068 -407000.0 -0.42 -0.718 -0.9865 3071173 PK04_107146 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H09 compound treatment 3991442.029 -310000.0 -0.34 3752655.039 -191000.0 -0.2 -0.3777 -0.9683 3071174 PK04_107147 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H10 compound treatment 3856612.5 -445000.0 -0.48 3697350.0 -246000.0 -0.26 -0.5217 -0.956 3189160 PK04_107148 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H11 compound treatment 3819449.275 -482000.0 -0.52 4001279.835 58000.0 0.06 -0.3268 -0.6214 3189161 PK04_107149 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H12 compound treatment 3950064.885 -351000.0 -0.38 3833624.521 -110000.0 -0.11 -0.3499 -0.8802 3071175 PK04_107150 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H13 compound treatment 3744870.849 -556000.0 -0.6 3658797.297 -284000.0 -0.3 -0.6357 -0.9461 3189162 PK04_107151 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H14 compound treatment 3821653.846 -480000.0 -0.52 3659428.571 -284000.0 -0.3 -0.5763 -0.9639 3189163 PK04_107152 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H15 compound treatment 3640750.0 -661000.0 -0.72 3929165.049 -14100.0 -0.01 -0.5168 -0.7214 3071176 PK04_107153 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H16 compound treatment 3512083.871 -789000.0 -0.86 3749947.735 -193000.0 -0.2 -0.7472 -0.85 3189164 PK04_107154 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H17 compound treatment 4118086.792 -183000.0 -0.2 3791775.665 -151000.0 -0.16 -0.2518 -0.9934 3189165 PK04_107155 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H18 compound treatment 4230837.037 -70400.0 -0.08 3702185.93 -241000.0 -0.25 -0.2312 -0.8826 3071177 PK04_107156 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H19 mock treatment 4564298.039 263000.0 0.29 3720935.223 -222000.0 -0.23 0.0382 0.1042 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H20 mock treatment 4448527.778 147000.0 0.16 4359030.303 416000.0 0.43 0.4185 0.9083 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H21 compound treatment 4396079.848 94800.0 0.1 4035591.111 92300.0 0.1 0.1405 0.9994 3189166 PK04_107157 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H22 compound treatment 3915942.085 -385000.0 -0.42 4058284.585 115000.0 0.12 -0.2109 -0.4853 3189167 PK04_107158 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H23 compound treatment 4646893.878 346000.0 0.37 4398333.333 455000.0 0.47 0.5994 0.9933 3071178 PK04_107159 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 H24 compound treatment 4314079.365 12800.0 0.01 4250058.824 307000.0 0.32 0.2353 0.7372 3189168 PK04_107160 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I01 compound treatment 3678424.39 -623000.0 -0.68 3526621.891 -417000.0 -0.43 -0.7838 -0.9769 3071179 PK04_107161 CC(C)[C@@H](C(=O)O)n1cc(nn1)C2(O)CCCCC2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I02 compound treatment 3789246.914 -512000.0 -0.56 3784580.189 -159000.0 -0.16 -0.5092 -0.8792 3189169 PK04_107162 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I03 compound treatment 3727790.179 -573000.0 -0.62 3817943.723 -125000.0 -0.13 -0.5318 -0.8371 3071180 PK04_107163 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccn3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I04 compound treatment 4098290.749 -203000.0 -0.22 3996219.512 52900.0 0.06 -0.1167 -0.5145 3189170 PK04_107164 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I05 mock treatment 3782024.561 -519000.0 -0.56 4101060.185 158000.0 0.16 -0.2821 -0.4811 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I06 mock treatment 3806469.388 -495000.0 -0.54 3987354.067 44100.0 0.05 -0.347 -0.6444 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I07 compound treatment 3817653.696 -484000.0 -0.52 3972868.778 29600.0 0.03 -0.349 -0.6645 3071181 PK04_107165 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I08 compound treatment 3481324.786 -820000.0 -0.89 3426799.213 -516000.0 -0.54 -1.0082 -0.9708 3189171 PK04_107166 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I09 compound treatment 3419752.294 -882000.0 -0.96 3277000.0 -666000.0 -0.69 -1.1656 -0.9875 3189172 PK04_107167 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I10 compound treatment 3195315.353 -1110000.0 -1.2 3210475.962 -733000.0 -0.76 -1.3865 -0.976 3071182 PK04_107168 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I11 compound treatment 3475503.65 -826000.0 -0.9 3453576.389 -490000.0 -0.51 -0.993 -0.9642 3189173 PK04_107169 NC(=N)NCc1cn(CCc2c[nH]c3ccccc23)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I12 compound treatment 3543848.249 -757000.0 -0.82 3171868.794 -771000.0 -0.8 -1.1477 -0.9999 3189286 PK04_107170 CC(C)[Si]1(O[C@H](c2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I13 compound treatment 3598850.534 -702000.0 -0.76 3226119.266 -717000.0 -0.75 -1.0656 -0.9999 3071183 PK04_107171 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@H](Cc4ccccc4)C(=O)N23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I14 compound treatment 3130198.556 -1170000.0 -1.27 3143300.469 -800000.0 -0.83 -1.4858 -0.9789 3189287 PK04_107172 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I15 compound treatment 3594406.78 -707000.0 -0.77 3621142.276 -322000.0 -0.33 -0.7787 -0.931 3071184 PK04_107173 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@@H](Cc4ccccc4)C(=O)N23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I16 compound treatment 4001093.333 -300000.0 -0.33 4235015.625 292000.0 0.3 -0.0157 -0.0354 3189288 PK04_107174 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I17 compound treatment 3775649.635 -526000.0 -0.57 3695330.579 -248000.0 -0.26 -0.5852 -0.9356 3071185 PK04_107175 COc1ccc(cc1)[C@H]2OC[C@@H]3CC4(CC=CC4)C(=O)N23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I18 compound treatment 4140475.983 -161000.0 -0.17 4202115.385 259000.0 0.27 0.067 0.2088 3189289 PK04_107176 COc1cc(Cc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I19 compound treatment 4192783.27 -108000.0 -0.12 4012448.113 69200.0 0.07 -0.0323 -0.2346 3071186 PK04_107177 COc1ccc(cc1)[C@H]2OC[C@@H]3CCC(=O)N23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I20 compound treatment 4732980.198 432000.0 0.47 4105789.916 163000.0 0.17 0.4504 0.9052 3189171 PK04_107178 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I21 mock treatment 4594926.108 294000.0 0.32 4091189.944 148000.0 0.15 0.3339 0.9442 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I22 mock treatment 4571502.439 270000.0 0.29 4243651.961 300000.0 0.31 0.4279 0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I23 compound treatment 4233226.244 -68100.0 -0.07 3923512.821 -19800.0 -0.02 -0.0667 -0.8708 3189290 PK04_107179 COc1ccc(cc1)[C@H]2OC[C@@H]3CC(CC=C)(CC=C)C(=O)N23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 I24 compound treatment 3808765.625 -493000.0 -0.53 3850991.266 -92300.0 -0.1 -0.4454 -0.821 3071182 PK04_107180 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J01 compound treatment 3988354.369 -313000.0 -0.34 3812100.0 -131000.0 -0.14 -0.3363 -0.9198 3189291 PK04_107181 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J02 compound treatment 4365281.106 64000.0 0.07 4053213.198 110000.0 0.11 0.1299 0.9714 3071187 PK04_107182 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J03 compound treatment 4501202.97 200000.0 0.22 4191879.63 249000.0 0.26 0.336 0.9962 3189292 PK04_107183 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J04 compound treatment 4672751.152 371000.0 0.4 3786650.98 -157000.0 -0.16 0.1697 0.3906 3189293 PK04_107184 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J05 mock treatment 4097894.515 -203000.0 -0.22 4130425.234 187000.0 0.19 -0.0184 -0.0625 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J06 mock treatment 4462655.738 161000.0 0.17 4078278.607 135000.0 0.14 0.223 0.994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J07 compound treatment 4049866.667 -251000.0 -0.27 4083256.881 140000.0 0.15 -0.0899 -0.2908 3071188 PK04_107185 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J08 compound treatment 4237812.03 -63500.0 -0.07 3617559.259 -326000.0 -0.34 -0.2881 -0.8338 3189294 PK04_107186 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J09 compound treatment 3626558.935 -675000.0 -0.73 3804691.983 -139000.0 -0.14 -0.6192 -0.8304 3189295 PK04_107187 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J10 compound treatment 3714145.669 -587000.0 -0.64 3869192.0 -74100.0 -0.08 -0.5046 -0.7869 3071189 PK04_107188 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J11 compound treatment 3687346.154 -614000.0 -0.67 3513685.606 -430000.0 -0.45 -0.7864 -0.9811 3189296 PK04_107189 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J12 compound treatment 3412236.162 -889000.0 -0.96 3158513.308 -785000.0 -0.82 -1.2584 -0.9965 3189297 PK04_107190 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J13 compound treatment 3572639.073 -729000.0 -0.79 3847150.183 -96100.0 -0.1 -0.6293 -0.7902 3071190 PK04_107191 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J14 compound treatment 3823966.79 -477000.0 -0.52 3384350.181 -559000.0 -0.58 -0.7767 -0.9983 3189298 PK04_107192 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J15 compound treatment 3641776.515 -660000.0 -0.72 3317842.105 -625000.0 -0.65 -0.9653 -0.9989 3071191 PK04_107193 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J16 compound treatment 3941801.688 -359000.0 -0.39 3728895.425 -214000.0 -0.22 -0.4332 -0.9648 3189299 PK04_107194 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J17 compound treatment 3944223.729 -357000.0 -0.39 3492988.848 -450000.0 -0.47 -0.6047 -0.9956 3189300 PK04_107195 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J18 compound treatment 3877296.029 -424000.0 -0.46 3698381.481 -245000.0 -0.25 -0.5051 -0.9611 3071192 PK04_107196 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J19 compound treatment 4314577.586 13300.0 0.01 3792540.741 -151000.0 -0.16 -0.1006 -0.6393 3189301 PK04_107197 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J20 compound treatment 3952062.069 -349000.0 -0.38 3847631.97 -95600.0 -0.1 -0.338 -0.8635 3189302 PK04_107198 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J21 mock treatment 3974357.43 -327000.0 -0.35 3730541.667 -213000.0 -0.22 -0.407 -0.9742 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J22 mock treatment 4282037.5 -19200.0 -0.02 3645055.556 -298000.0 -0.31 -0.2339 -0.753 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J23 compound treatment 3760383.803 -541000.0 -0.59 4012837.838 69600.0 0.07 -0.3636 -0.6153 3071251 PK04_107199 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 J24 compound treatment 3775504.63 -526000.0 -0.57 3817139.535 -126000.0 -0.13 -0.4958 -0.8476 3189414 PK04_107200 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K01 compound treatment 3650204.444 -651000.0 -0.71 3427684.685 -516000.0 -0.54 -0.8781 -0.9908 3071252 PK04_107201 COc1cccc(C[C@H]2C[C@@H](CO)NC2=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K02 compound treatment 4270521.739 -30800.0 -0.03 3957734.3 14500.0 0.02 -0.013 -0.3541 3189415 PK04_107202 CCCCCCC#C[Si](O[C@@H](C#C)c1ccccc1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K03 compound treatment 4135244.344 -166000.0 -0.18 3794089.744 -149000.0 -0.16 -0.2369 -0.9972 3071253 PK04_107203 COC(=O)c1c(CC[C@@H](CO)NC(=O)N(C)Cc2ccccc2)oc(C(=O)OCC=C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K04 compound treatment 4479277.533 178000.0 0.19 4149107.884 206000.0 0.21 0.2878 0.9987 3189416 PK04_107204 CCCCCCC#C[Si](OCC#CC)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K05 compound treatment 4460367.713 159000.0 0.17 3732833.922 -210000.0 -0.22 -0.0327 -0.1174 3189417 PK04_107205 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(COC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K06 compound treatment 4387473.214 86200.0 0.09 3871878.788 -71400.0 -0.07 0.0136 0.1141 3071254 PK04_107206 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccccc2)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K07 mock treatment 4438882.353 138000.0 0.15 4108478.261 165000.0 0.17 0.2269 0.9975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K08 mock treatment 4399015.686 97700.0 0.11 4069407.407 126000.0 0.13 0.1676 0.9944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K09 compound treatment 4698246.862 397000.0 0.43 4001264.925 58000.0 0.06 0.347 0.7983 3071255 PK04_107207 NC(=N)NCC#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K10 compound treatment 4357272.388 56000.0 0.06 4023766.816 80500.0 0.08 0.1021 0.9876 3189418 PK04_107208 CC#CCO[Si](C#Cc1ccccc1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K11 compound treatment 4375213.523 73900.0 0.08 4096537.634 153000.0 0.16 0.1693 0.9495 3189419 PK04_107209 OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K12 compound treatment 3167379.121 -1130000.0 -1.23 3400083.333 -543000.0 -0.56 -1.2686 -0.9377 3071256 PK04_107210 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccc(Oc3ccccc3)cc2)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K13 compound treatment 4385638.554 84400.0 0.09 3624093.985 -319000.0 -0.33 -0.1699 -0.4937 3189420 PK04_107211 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@](Cc4ccccc4)(C(=O)OCC=C)C(=O)N23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K14 compound treatment 4087056.034 -214000.0 -0.23 3489804.428 -453000.0 -0.47 -0.4975 -0.9468 3071257 PK04_107212 CC[C@@H](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)C#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K15 mock treatment 4807034.884 506000.0 0.55 4221908.333 279000.0 0.29 0.5925 0.9555 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K16 mock treatment 5163297.297 862000.0 0.93 4101962.963 159000.0 0.16 0.7775 0.8192 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K17 compound treatment 4875299.213 574000.0 0.62 4484879.464 542000.0 0.56 0.8382 0.9987 1035256 PK04_107213 C#CCNCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K18 compound treatment 5057437.5 756000.0 0.82 4717761.905 774000.0 0.81 1.149 1.0 3189421 PK04_107214 CC(C)[Si](Oc1ccccc1Br)(C#CCCCC#N)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K19 compound treatment 5056207.317 755000.0 0.82 4566746.725 623000.0 0.65 1.037 0.9933 3071258 PK04_107215 CC(C)[C@H](N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K20 compound treatment 5544979.167 1240000.0 1.35 4518765.258 575000.0 0.6 1.3765 0.9331 3189422 PK04_107216 CC[C@@H](O[Si](C#CCCCC#N)(C(C)C)C(C)C)C#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K21 compound treatment 4917786.047 617000.0 0.67 4378400.0 435000.0 0.45 0.7925 0.9819 3189423 PK04_107217 [N-]=[N+]=NC[C@H](Cc1ccccc1)NC(=O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K22 compound treatment 5353961.165 1050000.0 1.14 4261643.137 318000.0 0.33 1.0411 0.876 3071259 PK04_107218 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#Cc4ccccc4)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K23 mock treatment 5584428.571 1280000.0 1.39 4573240.0 630000.0 0.65 1.4468 0.9409 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 K24 mock treatment 4538218.447 237000.0 0.26 4123381.974 180000.0 0.19 0.314 0.9879 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L01 compound treatment 4094123.223 -207000.0 -0.22 3722776.256 -220000.0 -0.23 -0.3209 -0.9999 3189424 PK04_107219 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L02 compound treatment 4742462.555 441000.0 0.48 4713040.0 770000.0 0.8 0.904 0.9698 3189425 PK04_107220 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L03 compound treatment 5070832.0 770000.0 0.83 5188096.774 1240000.0 1.29 1.5049 0.9775 3071260 PK04_107221 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L04 compound treatment 5430276.498 1130000.0 1.22 4909401.826 966000.0 1.0 1.5757 0.9952 3189426 PK04_107222 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L05 compound treatment 5273071.77 972000.0 1.05 4609748.918 666000.0 0.69 1.2349 0.9793 3189427 PK04_107223 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L06 compound treatment 4709064.885 408000.0 0.44 4879394.85 936000.0 0.97 1.0007 0.9363 3071261 PK04_107224 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L07 mock treatment 4554065.306 253000.0 0.27 4585121.359 642000.0 0.67 0.6656 0.9228 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L08 mock treatment 4419958.801 119000.0 0.13 4164302.083 221000.0 0.23 0.2534 0.9625 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L09 compound treatment 4450920.455 150000.0 0.16 4268708.92 325000.0 0.34 0.3539 0.9434 3189428 PK04_107225 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L10 compound treatment 4577248.148 276000.0 0.3 4125240.458 182000.0 0.19 0.3453 0.9755 3189429 PK04_107226 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L11 compound treatment 4634207.317 333000.0 0.36 4355800.0 413000.0 0.43 0.5584 0.9963 3071262 PK04_107227 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L12 compound treatment 4791205.479 490000.0 0.53 4043996.403 101000.0 0.1 0.4497 0.8305 3189430 PK04_107228 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L13 compound treatment 4388973.485 87700.0 0.1 4126964.844 184000.0 0.19 0.2022 0.9482 3189431 PK04_107229 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L14 compound treatment 4487395.349 186000.0 0.2 4142463.602 199000.0 0.21 0.2891 0.9999 3071263 PK04_107230 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L15 mock treatment 4788463.878 487000.0 0.53 4621532.189 678000.0 0.7 0.872 0.9899 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L16 mock treatment 4761471.616 460000.0 0.5 4300783.55 358000.0 0.37 0.6156 0.9895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L17 compound treatment 4944584.746 643000.0 0.7 4628540.773 685000.0 0.71 0.9969 0.9999 3189432 PK04_107231 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L18 compound treatment 4776886.447 476000.0 0.52 3836812.5 -106000.0 -0.11 0.2864 0.543 3189547 PK04_107232 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L19 compound treatment 5177508.0 876000.0 0.95 4667472.574 724000.0 0.75 1.2041 0.9934 3071264 PK04_107233 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L20 compound treatment 5877896.552 1580000.0 1.71 5206427.948 1260000.0 1.31 2.1372 0.9915 3189548 PK04_107234 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L21 compound treatment 4652107.407 351000.0 0.38 4488094.862 545000.0 0.57 0.6694 0.9813 3189549 PK04_107235 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L22 compound treatment 4233291.803 -68000.0 -0.07 3981700.0 38400.0 0.04 -0.0239 -0.2849 3071265 PK04_107236 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L23 mock treatment 4629541.667 328000.0 0.36 3895533.937 -47700.0 -0.05 0.2166 0.6027 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 L24 mock treatment 4309712.389 8430.0 0.01 3796261.261 -147000.0 -0.15 -0.1016 -0.6636 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M01 compound treatment 3114274.59 -1190000.0 -1.29 2705336.032 -1240000.0 -1.29 -1.8199 -1.0 3189550 PK04_107237 COc1cccc(C[C@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M02 compound treatment 3611662.879 -690000.0 -0.75 3101779.736 -841000.0 -0.87 -1.1472 -0.997 3071266 PK04_107238 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCc4ccccc4)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M03 compound treatment 3526774.59 -775000.0 -0.84 3312073.059 -631000.0 -0.66 -1.0577 -0.9925 3189551 PK04_107239 COc1cccc(C[C@@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M04 compound treatment 3532818.182 -768000.0 -0.83 3281494.118 -662000.0 -0.69 -1.0756 -0.9955 3189552 PK04_107240 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M05 compound treatment 3711770.37 -590000.0 -0.64 3731811.765 -211000.0 -0.22 -0.6074 -0.8986 3071267 PK04_107241 CN(C)S(=O)(=O)NCC#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M06 compound treatment 3876785.124 -424000.0 -0.46 3551696.0 -392000.0 -0.41 -0.6133 -0.9981 3189553 PK04_107242 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M07 compound treatment 3391942.529 -909000.0 -0.99 3426486.486 -517000.0 -0.54 -1.077 -0.9592 3414058 PK04_107243 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M08 compound treatment 3390631.034 -911000.0 -0.99 3591366.255 -352000.0 -0.37 -0.9568 -0.9087 3189554 PK04_107244 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M09 mock treatment 3833792.373 -467000.0 -0.51 3475398.268 -468000.0 -0.49 -0.7023 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M10 mock treatment 3365210.332 -936000.0 -1.01 3473934.783 -469000.0 -0.49 -1.0626 -0.9436 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M11 compound treatment 3427201.493 -874000.0 -0.95 3393623.529 -550000.0 -0.57 -1.0741 -0.9706 3189555 PK04_107245 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M12 compound treatment 3629226.891 -672000.0 -0.73 3238819.188 -704000.0 -0.73 -1.033 -1.0 3071269 PK04_107246 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M13 mock treatment 3482422.053 -819000.0 -0.89 3397441.767 -546000.0 -0.57 -1.029 -0.9766 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M14 mock treatment 3786316.017 -515000.0 -0.56 3407536.965 -536000.0 -0.56 -0.7886 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M15 compound treatment 4127229.73 -174000.0 -0.19 3877419.214 -65900.0 -0.07 -0.1818 -0.9058 3189556 PK04_107247 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M16 compound treatment 3746553.191 -555000.0 -0.6 3769041.86 -174000.0 -0.18 -0.5534 -0.8809 3189557 PK04_107248 CCCC#C[Si](O[C@H](CC)c1cn(Cc2ccccc2)nn1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M17 compound treatment 4092508.065 -209000.0 -0.23 3410127.907 -533000.0 -0.55 -0.5519 -0.922 3189558 PK04_107249 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M18 compound treatment 3860141.079 -441000.0 -0.48 3583753.247 -360000.0 -0.37 -0.6025 -0.9925 3071329 PK04_107250 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M19 compound treatment 3957809.955 -343000.0 -0.37 3687613.169 -256000.0 -0.27 -0.4512 -0.9863 3189559 PK04_107251 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H]5CCCN5C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M20 compound treatment 4101521.008 -200000.0 -0.22 3731296.61 -212000.0 -0.22 -0.309 -1.0 3071330 PK04_107252 CCCC#C[Si](O[C@H](CC)c1cn(Cc2cccc(Cl)c2)nn1)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M21 compound treatment 3880971.831 -420000.0 -0.46 3736828.326 -206000.0 -0.21 -0.474 -0.941 3189560 PK04_107253 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H]5CCCN5C2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M22 compound treatment 3606503.759 -695000.0 -0.75 3795033.333 -148000.0 -0.15 -0.6416 -0.8345 3071331 PK04_107254 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](C)c2ccccc2)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M23 compound treatment 3905839.286 -395000.0 -0.43 3637837.209 -305000.0 -0.32 -0.5277 -0.9891 3189561 PK04_107255 CN1Cc2cn(C[C@H](Cc3ccccc3)NC(=O)c4cc(c(CC[C@@H](CO)NC1=O)o4)S(=O)(=O)c5ccc(C)cc5)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 M24 compound treatment 3185041.667 -1120000.0 -1.21 3239076.923 -704000.0 -0.73 -1.3734 -0.971 3071332 PK04_107256 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N01 compound treatment 3437260.7 -864000.0 -0.94 3340422.727 -603000.0 -0.63 -1.1055 -0.9809 3189562 PK04_107257 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N02 compound treatment 4319493.976 18200.0 0.02 4169460.63 226000.0 0.24 0.1802 0.7638 3189563 PK04_107258 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N03 compound treatment 4003886.792 -297000.0 -0.32 4248180.0 305000.0 0.32 -0.0039 -0.0086 3071333 PK04_107259 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N04 compound treatment 4193663.866 -108000.0 -0.12 3757955.466 -185000.0 -0.19 -0.2187 -0.9712 3189564 PK04_107260 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N05 compound treatment 4324729.73 23400.0 0.03 3441744.681 -502000.0 -0.52 -0.3506 -0.6718 3189681 PK04_107261 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N06 compound treatment 4508589.623 207000.0 0.22 4003173.516 59900.0 0.06 0.203 0.8702 3071334 PK04_107262 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N07 compound treatment 4439602.804 138000.0 0.15 3813603.774 -130000.0 -0.13 0.0107 0.0533 3189682 PK04_107263 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N08 compound treatment 4069065.891 -232000.0 -0.25 4202974.79 260000.0 0.27 0.0128 0.0348 3071335 PK04_107264 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N09 mock treatment 4133719.858 -168000.0 -0.18 3750737.226 -193000.0 -0.2 -0.27 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N10 mock treatment 4222797.414 -78500.0 -0.09 3425014.706 -518000.0 -0.54 -0.4411 -0.8088 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N11 compound treatment 4197315.789 -104000.0 -0.11 3661033.708 -282000.0 -0.29 -0.2871 -0.9137 3189683 PK04_107265 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N12 compound treatment 3915900.901 -385000.0 -0.42 3430219.178 -513000.0 -0.53 -0.6725 -0.9927 3189684 PK04_107266 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N13 mock treatment 4102630.435 -199000.0 -0.22 3710883.817 -232000.0 -0.24 -0.3231 -0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N14 mock treatment 3843527.559 -458000.0 -0.5 3627090.535 -316000.0 -0.33 -0.5833 -0.98 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N15 compound treatment 3819141.869 -482000.0 -0.52 3895228.07 -48000.0 -0.05 -0.405 -0.7711 3071336 PK04_107267 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N16 compound treatment 3841621.739 -460000.0 -0.5 3486008.929 -457000.0 -0.48 -0.6885 -0.9997 3189685 PK04_107268 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N17 compound treatment 3732594.142 -569000.0 -0.62 3191289.116 -752000.0 -0.78 -0.9887 -0.9931 3189686 PK04_107269 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N18 compound treatment 3860970.588 -440000.0 -0.48 3471394.737 -472000.0 -0.49 -0.6844 -0.9999 3071337 PK04_107270 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N19 compound treatment 3733634.855 -568000.0 -0.62 3435841.667 -507000.0 -0.53 -0.8082 -0.997 3189687 PK04_107271 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N20 compound treatment 4027988.462 -273000.0 -0.3 3531306.273 -412000.0 -0.43 -0.5123 -0.9838 3189688 PK04_107272 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N21 compound treatment 3430404.494 -871000.0 -0.94 3730434.783 -213000.0 -0.22 -0.8241 -0.8498 3071339 PK04_107273 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N22 compound treatment 3337404.255 -964000.0 -1.05 3451503.876 -492000.0 -0.51 -1.1004 -0.9459 3189689 PK04_107274 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N23 compound treatment 3401587.786 -900000.0 -0.98 3481957.447 -461000.0 -0.48 -1.0288 -0.9465 3189690 PK04_107275 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 N24 compound treatment 3044247.012 -1260000.0 -1.36 3197657.993 -746000.0 -0.78 -1.5118 -0.9642 3071341 PK04_107276 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O01 compound treatment 3164411.111 -1140000.0 -1.23 2826411.504 -1120000.0 -1.16 -1.6925 -0.9996 3414059 PK04_107277 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(Cc5ccccc5)C2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O02 compound treatment 3301766.234 -1000000.0 -1.08 3348626.728 -595000.0 -0.62 -1.2034 -0.9645 3189692 PK04_107278 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O03 compound treatment 3233542.735 -1070000.0 -1.16 3201443.478 -742000.0 -0.77 -1.3639 -0.9805 3414060 PK04_107279 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(nn4)C5(CCCCC5)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O04 compound treatment 3299592.727 -1000000.0 -1.09 3462829.06 -480000.0 -0.5 -1.1211 -0.9378 3189693 PK04_107280 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O05 compound treatment 3536492.063 -765000.0 -0.83 3374569.231 -569000.0 -0.59 -1.0043 -0.9862 3071393 PK04_107281 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cnnn3C[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O06 compound treatment 3530077.586 -771000.0 -0.84 3328114.068 -615000.0 -0.64 -1.0434 -0.9912 3189694 PK04_107282 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O07 compound treatment 4095040.541 -206000.0 -0.22 3366898.955 -576000.0 -0.6 -0.5817 -0.9097 3189695 PK04_107283 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O08 compound treatment 3480597.744 -821000.0 -0.89 3348209.756 -595000.0 -0.62 -1.0666 -0.9842 3071395 PK04_107284 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O09 compound treatment 4089308.475 -212000.0 -0.23 3408886.447 -534000.0 -0.56 -0.5553 -0.9237 3189696 PK04_107285 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O10 compound treatment 4361409.91 60100.0 0.07 3944369.099 1100.0 0.0 0.0469 0.7194 3189697 PK04_107286 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O11 mock treatment 4129528.384 -172000.0 -0.19 3913295.455 -30000.0 -0.03 -0.1537 -0.8141 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O12 mock treatment 4047253.659 -254000.0 -0.28 3490655.319 -453000.0 -0.47 -0.5274 -0.9675 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O13 compound treatment 4282012.931 -19300.0 -0.02 4024796.117 81500.0 0.08 0.0451 0.5173 3071396 PK04_107287 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](C)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O14 compound treatment 4135756.881 -166000.0 -0.18 4119168.224 176000.0 0.18 0.0024 0.0093 3187592 PK04_107288 CC(C)[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O15 compound treatment 4063649.194 -238000.0 -0.26 3833302.789 -110000.0 -0.11 -0.263 -0.9331 3187593 PK04_107289 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O16 compound treatment 4407040.359 106000.0 0.11 3798958.506 -144000.0 -0.15 -0.025 -0.1323 3071397 PK04_107290 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O17 compound treatment 4410705.628 109000.0 0.12 3766201.521 -177000.0 -0.18 -0.0462 -0.2112 3187594 PK04_107291 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O18 compound treatment 4496645.631 195000.0 0.21 3725640.152 -218000.0 -0.23 -0.0102 -0.0328 3071398 PK04_107292 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O19 compound treatment 3997404.651 -304000.0 -0.33 4068112.108 125000.0 0.13 -0.1412 -0.3988 3187595 PK04_107293 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](NC2=O)C(C)C)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O20 compound treatment 4109038.194 -192000.0 -0.21 4232754.941 289000.0 0.3 0.0654 0.1786 3071399 PK04_107294 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O21 compound treatment 4622326.848 321000.0 0.35 4047899.083 105000.0 0.11 0.323 0.8858 3187594 PK04_107295 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O22 compound treatment 4892510.638 591000.0 0.64 4325837.719 383000.0 0.4 0.7345 0.9736 3187596 PK04_107296 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O23 compound treatment 3945644.86 -356000.0 -0.39 3597944.134 -345000.0 -0.36 -0.5265 -0.9994 3187597 PK04_107297 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](NC2=O)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 O24 compound treatment 2956869.369 -1340000.0 -1.46 3496330.769 -447000.0 -0.46 -1.3592 -0.8884 3071400 PK04_107298 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P01 compound treatment 3650886.179 -650000.0 -0.71 3284160.0 -659000.0 -0.69 -0.9831 -0.9999 3187598 PK04_107299 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P02 compound treatment 3541076.642 -760000.0 -0.82 3558871.795 -384000.0 -0.4 -0.8654 -0.9447 3071401 PK04_107300 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P03 compound treatment 3730173.913 -571000.0 -0.62 3511270.37 -432000.0 -0.45 -0.7554 -0.9875 3187599 PK04_107301 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P04 compound treatment 3226821.012 -1070000.0 -1.17 3349072.993 -594000.0 -0.62 -1.2605 -0.9559 3187600 PK04_107302 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P05 compound treatment 3488568.889 -813000.0 -0.88 3582803.089 -360000.0 -0.37 -0.888 -0.9274 3071402 PK04_107303 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P06 compound treatment 4019935.78 -281000.0 -0.31 3525111.111 -418000.0 -0.43 -0.523 -0.985 3187601 PK04_107304 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P07 compound treatment 4024617.53 -277000.0 -0.3 4018013.453 74700.0 0.08 -0.1572 -0.5072 3187602 PK04_107305 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P08 compound treatment 3280485.507 -1020000.0 -1.11 3288474.265 -655000.0 -0.68 -1.2639 -0.9727 3071403 PK04_107306 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P09 compound treatment 3652451.957 -649000.0 -0.7 3661496.269 -282000.0 -0.29 -0.7046 -0.9246 3187603 PK04_107307 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P10 compound treatment 3713342.007 -588000.0 -0.64 3436405.063 -507000.0 -0.53 -0.8233 -0.9955 3187604 PK04_107308 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P11 mock treatment 4123931.034 -177000.0 -0.19 3748043.137 -195000.0 -0.2 -0.2795 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P12 mock treatment 4070633.484 -231000.0 -0.25 3553635.135 -390000.0 -0.4 -0.4632 -0.9732 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P13 compound treatment 3652474.265 -649000.0 -0.7 3099813.492 -843000.0 -0.88 -1.1174 -0.994 3071404 PK04_107309 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P14 compound treatment 3639036.545 -662000.0 -0.72 3257830.357 -685000.0 -0.71 -1.0115 -1.0 3187605 PK04_107310 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P15 compound treatment 3393063.123 -908000.0 -0.98 3617275.591 -326000.0 -0.34 -0.9359 -0.8987 3187606 PK04_107311 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P16 compound treatment 3890894.068 -410000.0 -0.44 3341087.413 -602000.0 -0.63 -0.7572 -0.986 3071405 PK04_107312 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P17 compound treatment 4367506.173 66200.0 0.07 3638908.772 -304000.0 -0.32 -0.1729 -0.5331 3187607 PK04_107313 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P18 compound treatment 4145094.262 -156000.0 -0.17 3481585.106 -462000.0 -0.48 -0.4591 -0.9021 3187608 PK04_107314 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P19 compound treatment 3577493.827 -724000.0 -0.78 3083836.0 -859000.0 -0.89 -1.1866 -0.9979 3187728 PK04_107315 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P20 compound treatment 3571348.123 -730000.0 -0.79 3057710.744 -886000.0 -0.92 -1.2105 -0.9972 3071452 PK04_107316 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P21 compound treatment 3386792.793 -914000.0 -0.99 3011371.747 -932000.0 -0.97 -1.3861 -0.9999 3187729 PK04_107317 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P22 compound treatment 4347836.91 46600.0 0.05 3400870.0 -542000.0 -0.56 -0.363 -0.6412 3187730 PK04_107318 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P23 compound treatment 3840239.617 -461000.0 -0.5 4169151.659 226000.0 0.23 -0.1875 -0.3394 3071453 PK04_107319 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2107 P24 compound treatment 3183751.969 -1120000.0 -1.21 3153370.229 -790000.0 -0.82 -1.4374 -0.982 3187731 PK04_107320 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A01 compound treatment 2897023.148 -789000.0 -0.86 3039733.788 -692000.0 -0.72 -1.1137 -0.9963 3187732 PK04_108001 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A02 compound treatment 2823637.631 -862000.0 -0.94 3283335.821 -449000.0 -0.47 -0.9909 -0.9484 3071454 PK04_108002 CCC1=C2CN(Cc3ccccc3Br)[C@@H]([C@@H](O)Cc4ccccc4)C2C=CCC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A03 compound treatment 3179202.643 -507000.0 -0.55 3922442.396 190000.0 0.2 -0.2486 -0.4256 3187733 PK04_108003 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A04 compound treatment 3457193.133 -229000.0 -0.25 3275893.688 -456000.0 -0.47 -0.5106 -0.9544 3071455 PK04_108004 CCC1=C2CN(Cc3ccccc3)[C@H](C2C=CCC1)C(=O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A05 compound treatment 3336636.364 -349000.0 -0.38 3920890.0 189000.0 0.2 -0.129 -0.3024 3187734 PK04_108005 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A06 compound treatment 3502558.442 -183000.0 -0.2 3866186.047 134000.0 0.14 -0.042 -0.1729 3071456 PK04_108006 C/C=C\[C@@H](NCc1ccccc1Br)[C@@H](O)Cc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A07 compound treatment 3593382.143 -92600.0 -0.1 3740273.764 8290.0 0.01 -0.0649 -0.6441 3187735 PK04_108007 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A08 compound treatment 3168921.642 -517000.0 -0.56 3121883.333 -610000.0 -0.63 -0.8448 -0.9981 3071457 PK04_108008 CC(=CCN[C@H](CO)c1ccccc1)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A09 compound treatment 3382991.111 -303000.0 -0.33 3445673.307 -286000.0 -0.3 -0.4427 -0.9988 3187736 PK04_108009 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A10 compound treatment 3517176.19 -169000.0 -0.18 3083864.754 -648000.0 -0.67 -0.6058 -0.8678 3071458 PK04_108010 CC(=CCN(CC#C)[C@H](CO)c1ccccc1)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A11 compound treatment 3911884.615 226000.0 0.24 3056006.849 -676000.0 -0.7 -0.3236 -0.435 3071459 PK04_108011 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A12 compound treatment 2642000.0 -1040000.0 -1.13 2722920.398 -1010000.0 -1.05 -1.5421 -0.9993 3187737 PK04_108012 CC(=CCN(CC#Cc1ccccc1)[C@H](CO)c2ccccc2)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A13 mock treatment 3573054.054 -113000.0 -0.12 3566346.154 -166000.0 -0.17 -0.2083 -0.9861 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A14 mock treatment 3810441.667 124000.0 0.13 4036695.0 305000.0 0.32 0.3194 0.9277 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A15 compound treatment 3785660.305 99700.0 0.11 3434748.148 -297000.0 -0.31 -0.1421 -0.434 3187738 PK04_108013 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A16 compound treatment 3297564.246 -388000.0 -0.42 2813512.281 -918000.0 -0.95 -0.9729 -0.9324 3071460 PK04_108014 O=C1OC[C@@H](c2ccccc2)n3cc(/C=C/c4ccccc4)cc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A17 compound treatment 3327908.367 -358000.0 -0.39 3139104.53 -593000.0 -0.62 -0.7103 -0.9752 3187739 PK04_108015 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A18 compound treatment 3681884.462 -4110.0 0.0 3192061.151 -540000.0 -0.56 -0.4 -0.7127 3071461 PK04_108016 CC(=C)C/1CN([C@H](CO)c2ccccc2)C(=O)\C1=C/c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A19 compound treatment 3669353.571 -16600.0 -0.02 3050538.194 -681000.0 -0.71 -0.5136 -0.7249 3187740 PK04_108017 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A20 compound treatment 3990062.78 304000.0 0.33 2986309.434 -746000.0 -0.78 -0.3149 -0.3739 3071462 PK04_108018 OCC(/C=C/c1ccccc1)N(CC#C)C(C(=O)O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A21 compound treatment 3254383.459 -432000.0 -0.47 3045382.47 -687000.0 -0.71 -0.8356 -0.9791 3187741 PK04_108019 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A22 compound treatment 3187617.45 -498000.0 -0.54 2828237.5 -904000.0 -0.94 -1.0463 -0.9655 3071463 PK04_108020 C/C=C/CN([C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)C#Cc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A23 compound treatment 3222213.523 -464000.0 -0.5 2794638.298 -937000.0 -0.97 -1.0445 -0.9527 3187742 PK04_108021 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 A24 compound treatment 3253687.5 -432000.0 -0.47 2714080.153 -1020000.0 -1.06 -1.0796 -0.9329 3071464 PK04_108022 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B01 compound treatment 3797566.667 112000.0 0.12 3211699.346 -520000.0 -0.54 -0.2969 -0.5357 2133065 PK04_108023 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B02 compound treatment 4672578.512 987000.0 1.07 4085889.796 354000.0 0.37 1.0165 0.8986 3071465 PK04_108024 CCCCNC(=O)c1ccc(C#CC(C)(C)C)c(OC(=O)C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B03 compound treatment 4104363.208 418000.0 0.45 4310080.952 578000.0 0.6 0.7456 0.9904 2133224 PK04_108025 CCCCC(=O)N(Cc1ccccc1F)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B04 compound treatment 4140206.573 454000.0 0.49 4438222.222 706000.0 0.73 0.8673 0.9811 1952196 PK04_108026 CCCCNC(=O)c1ccc(C#C[Si](C)(C)C)c(OC(=O)C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B05 compound treatment 3421226.148 -265000.0 -0.29 3421533.835 -310000.0 -0.32 -0.4312 -0.9983 2133510 PK04_108027 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B06 compound treatment 3738507.519 52500.0 0.06 4737581.395 1010000.0 1.05 0.7793 0.7445 3071510 PK04_108028 CCCCNC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC(=O)C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B07 compound treatment 4113562.753 428000.0 0.46 4701337.5 969000.0 1.01 1.0403 0.9379 2128988 PK04_108029 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H]3O[C@@H]32)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B08 compound treatment 4063782.609 378000.0 0.41 3918437.5 186000.0 0.19 0.4267 0.9416 3187870 PK04_108030 COC(=O)C[C@H]1O[C@@H](CCc2ccccc2)[C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B09 compound treatment 4234525.51 549000.0 0.59 4436354.545 704000.0 0.73 0.9382 0.9947 3187871 PK04_108031 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)N(Cc3ccco3)C(=O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B10 compound treatment 4245873.786 560000.0 0.61 4540867.769 809000.0 0.84 1.0238 0.9872 3071511 PK04_108032 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B11 compound treatment 4318894.531 633000.0 0.69 4224681.063 493000.0 0.51 0.8474 0.9896 2129008 PK04_108033 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)NCc3ccc(F)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B12 compound treatment 3655244.898 -30800.0 -0.03 3782931.193 50900.0 0.05 0.0139 0.2216 3187872 PK04_108034 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B13 mock treatment 4008872.093 323000.0 0.35 4100653.68 369000.0 0.38 0.5185 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B14 mock treatment 3629661.017 -56300.0 -0.06 4000927.966 269000.0 0.28 0.1545 0.5399 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B15 compound treatment 4258145.833 572000.0 0.62 4198683.036 467000.0 0.49 0.7817 0.9926 3187873 PK04_108035 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CCC\C=C\CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B16 compound treatment 4344764.706 659000.0 0.71 3944243.902 212000.0 0.22 0.6611 0.8843 3414061 PK04_108036 COC(=O)C[C@@H]1C[C@H](C)[C@]2(O1)C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B17 compound treatment 3910179.283 224000.0 0.24 3475192.308 -257000.0 -0.27 -0.0169 -0.0467 3187874 PK04_108037 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CCC\C=C\CNC(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B18 compound treatment 4167703.704 482000.0 0.52 3803547.17 71600.0 0.07 0.4219 0.7997 3071513 PK04_108038 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B19 compound treatment 3664075.697 -21900.0 -0.02 3895234.875 163000.0 0.17 0.1032 0.6022 3187875 PK04_108039 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CCC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B20 compound treatment 4008252.874 322000.0 0.35 3846818.841 115000.0 0.12 0.3315 0.8977 3071514 PK04_108040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccccc53 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B21 compound treatment 3088211.221 -598000.0 -0.65 3085288.026 -647000.0 -0.67 -0.9336 -0.9998 3187876 PK04_108041 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B22 compound treatment 3505811.321 -180000.0 -0.2 3123126.712 -609000.0 -0.63 -0.5856 -0.8842 3071515 PK04_108042 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B23 compound treatment 3606285.124 -79700.0 -0.09 3054100.0 -678000.0 -0.7 -0.5593 -0.7879 3187877 PK04_108043 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 B24 compound treatment 3003647.541 -682000.0 -0.74 2788712.803 -943000.0 -0.98 -1.2164 -0.9904 3071516 PK04_108044 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C01 compound treatment 2993032.0 -693000.0 -0.75 2973615.658 -758000.0 -0.79 -1.0887 -0.9997 3187878 PK04_108045 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C02 compound treatment 3397611.111 -288000.0 -0.31 3648421.296 -83600.0 -0.09 -0.2825 -0.8706 3071464 PK04_108046 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C03 compound treatment 3470851.064 -215000.0 -0.23 3657861.111 -74100.0 -0.08 -0.2194 -0.8932 3187879 PK04_108047 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C04 compound treatment 3719769.231 33800.0 0.04 3643455.224 -88500.0 -0.09 -0.0392 -0.3956 3071517 PK04_108048 CC(=C)C1C(=C)CN([C@H](CO)c2ccccc2)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C05 compound treatment 3785128.889 99100.0 0.11 3823060.606 91100.0 0.09 0.1429 0.998 3071518 PK04_108049 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C06 compound treatment 3516757.709 -169000.0 -0.18 3611337.963 -121000.0 -0.13 -0.2184 -0.9828 3187880 PK04_108050 CC(C)(C)OC(=O)N(CC#C)[C@H](CO)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C07 compound treatment 3571416.031 -115000.0 -0.12 3939102.326 207000.0 0.22 0.0644 0.259 3187881 PK04_108051 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C08 compound treatment 2815395.161 -871000.0 -0.94 3381195.946 -351000.0 -0.36 -0.9253 -0.9144 3071519 PK04_108052 CC(=CCN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C09 compound treatment 3236197.044 -450000.0 -0.49 3158187.266 -574000.0 -0.6 -0.7666 -0.995 3187882 PK04_108053 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C10 compound treatment 2950427.861 -736000.0 -0.8 3431957.944 -300000.0 -0.31 -0.7845 -0.9161 3071520 PK04_108054 OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C11 mock treatment 3574973.958 -111000.0 -0.12 3731590.909 -392.0 0.0 -0.0854 -0.7095 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C12 mock treatment 3978281.938 292000.0 0.32 4127160.41 395000.0 0.41 0.5145 0.9918 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C13 compound treatment 3536500.0 -149000.0 -0.16 3514613.281 -217000.0 -0.23 -0.2744 -0.9867 3187883 PK04_108055 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C14 compound treatment 3825162.037 139000.0 0.15 3208593.625 -523000.0 -0.54 -0.278 -0.4924 3071521 PK04_108056 CC(C)(C)[Si](C)(C)OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C15 mock treatment 3596856.574 -89100.0 -0.1 3119972.028 -612000.0 -0.64 -0.5182 -0.8053 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C16 mock treatment 3392025.773 -294000.0 -0.32 3317498.258 -414000.0 -0.43 -0.53 -0.989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C17 compound treatment 4092350.711 406000.0 0.44 2992109.375 -740000.0 -0.77 -0.2322 -0.262 3188001 PK04_108057 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C18 compound treatment 3670920.354 -15100.0 -0.02 3204880.342 -527000.0 -0.55 -0.399 -0.7279 3071522 PK04_108058 O=C1OC[C@H](N2CC(=CC21)/C=C/c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C19 compound treatment 3740194.57 54200.0 0.06 2984704.626 -747000.0 -0.78 -0.5077 -0.6517 3188002 PK04_108059 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C20 compound treatment 2715568.182 -970000.0 -1.05 2590294.964 -1140000.0 -1.19 -1.5831 -0.9982 3071523 PK04_108060 OCC(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C21 compound treatment 3440627.049 -245000.0 -0.27 3302808.429 -429000.0 -0.45 -0.5036 -0.9695 3188003 PK04_108061 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C22 compound treatment 3343869.748 -342000.0 -0.37 2980016.736 -752000.0 -0.78 -0.815 -0.942 3071524 PK04_108062 OCC1C=C(CN1Cc2ccccc2Br)/C=C/c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C23 compound treatment 3378981.982 -307000.0 -0.33 2714469.534 -1020000.0 -1.06 -0.9832 -0.8868 3188004 PK04_108063 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 C24 compound treatment 3280447.619 -406000.0 -0.44 2279096.154 -1450000.0 -1.51 -1.3788 -0.8766 3071525 PK04_108064 CCOC(=O)C1OC[C@H](N1CC#C)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D01 compound treatment 2984821.138 -701000.0 -0.76 2898103.806 -834000.0 -0.87 -1.1505 -0.9979 3188005 PK04_108065 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D02 compound treatment 3547261.468 -139000.0 -0.15 3613455.253 -119000.0 -0.12 -0.1935 -0.9951 3414062 PK04_108066 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccccc3)C(=O)N(C)c4ccccc42 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D03 compound treatment 3178600.0 -507000.0 -0.55 3849558.036 118000.0 0.12 -0.3026 -0.5369 3188006 PK04_108067 CC(C)C[C@@H]1NC(=O)[C@H](CC(C)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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D04 compound treatment 3677781.116 -8220.0 -0.01 3774083.333 42100.0 0.04 0.0246 0.5518 3071527 PK04_108068 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D05 compound treatment 3377580.153 -308000.0 -0.33 3553345.865 -179000.0 -0.19 -0.3678 -0.9615 3188007 PK04_108069 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D06 compound treatment 3665895.833 -20100.0 -0.02 3522785.016 -209000.0 -0.22 -0.1692 -0.7741 3071528 PK04_108070 CCOC(=O)[C@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@@H]2O[Si](C)(C)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D07 compound treatment 3566312.5 -120000.0 -0.13 3822606.557 90600.0 0.09 -0.0252 -0.1569 3188008 PK04_108071 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D08 compound treatment 3378615.0 -307000.0 -0.33 3505565.068 -226000.0 -0.24 -0.4021 -0.9855 3071529 PK04_108072 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D09 compound treatment 3172566.176 -513000.0 -0.56 3715477.419 -16500.0 -0.02 -0.4058 -0.7286 3188009 PK04_108073 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)CNC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D10 compound treatment 3008914.815 -677000.0 -0.73 3394003.106 -338000.0 -0.35 -0.7675 -0.9431 3071530 PK04_108074 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D11 mock treatment 2103911.672 -1580000.0 -1.72 3482303.15 -250000.0 -0.26 -1.3965 -0.8049 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D12 mock treatment 2892430.07 -794000.0 -0.86 3160564.935 -571000.0 -0.59 -1.0284 -0.9836 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D13 compound treatment 3238842.466 -447000.0 -0.48 3357214.286 -375000.0 -0.39 -0.6183 -0.9941 3188010 PK04_108075 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D14 compound treatment 2245899.135 -1440000.0 -1.56 3221674.797 -510000.0 -0.53 -1.4792 -0.897 3071531 PK04_108076 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D15 mock treatment 2715212.838 -971000.0 -1.05 3314605.578 -417000.0 -0.43 -1.0511 -0.9232 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D16 mock treatment 3378379.562 -308000.0 -0.33 3416937.282 -315000.0 -0.33 -0.4674 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D17 compound treatment 3203737.931 -482000.0 -0.52 3162722.408 -569000.0 -0.59 -0.7881 -0.9981 3071578 PK04_108077 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D18 compound treatment 3222089.494 -464000.0 -0.5 2984822.134 -747000.0 -0.78 -0.9048 -0.9779 3071579 PK04_108078 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D19 compound treatment 3114794.964 -571000.0 -0.62 2700163.333 -1030000.0 -1.07 -1.1963 -0.966 3071580 PK04_108079 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc6ccccc6)NC2=O)[C@@H]7O[C@]7(C)[C@H]4C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D20 compound treatment 2982703.518 -703000.0 -0.76 2975503.876 -756000.0 -0.79 -1.0952 -0.9999 3188011 PK04_108080 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D21 compound treatment 3248729.839 -437000.0 -0.47 2964221.453 -768000.0 -0.8 -0.8995 -0.9691 3188012 PK04_108081 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D22 compound treatment 3109500.0 -576000.0 -0.63 2929661.597 -802000.0 -0.83 -1.0317 -0.9899 3071581 PK04_108082 O=C1C2CC=C(CC2C(=O)c3ccccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D23 compound treatment 3125830.645 -560000.0 -0.61 3011007.326 -721000.0 -0.75 -0.9594 -0.9946 3188013 PK04_108083 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 D24 compound treatment 2963870.293 -722000.0 -0.78 2532242.857 -1200000.0 -1.25 -1.4354 -0.9749 3071582 PK04_108084 O=C1c2ccccc2C(=O)c3cc(ccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E01 mock treatment 3520398.19 -166000.0 -0.18 3906051.643 174000.0 0.18 0.001 0.0038 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E02 mock treatment 3375117.647 -311000.0 -0.34 4377764.505 646000.0 0.67 0.2363 0.3146 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E03 compound treatment 3962255.144 276000.0 0.3 4217000.0 485000.0 0.5 0.5683 0.9691 3188014 PK04_108085 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E04 compound treatment 3272500.0 -413000.0 -0.45 3591231.441 -141000.0 -0.15 -0.4205 -0.8916 3071583 PK04_108086 C/C=C/CN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E05 compound treatment 3922147.059 236000.0 0.26 4434653.386 703000.0 0.73 0.6975 0.9012 3188015 PK04_108087 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E06 compound treatment 3958360.0 272000.0 0.3 4012650.485 281000.0 0.29 0.4151 1.0 3071584 PK04_108088 OCC(NCC#C)/C=C/c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E07 compound treatment 3981744.0 296000.0 0.32 4007580.42 276000.0 0.29 0.4293 0.9984 3188129 PK04_108089 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E08 compound treatment 3280399.254 -406000.0 -0.44 3721862.319 -10100.0 -0.01 -0.3184 -0.7238 3071585 PK04_108090 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E09 mock treatment 3617786.29 -68200.0 -0.07 4092653.226 361000.0 0.37 0.2128 0.5569 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E10 mock treatment 3706081.395 20100.0 0.02 4024492.126 293000.0 0.3 0.2304 0.7558 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E11 compound treatment 3768301.961 82300.0 0.09 3810150.198 78200.0 0.08 0.1206 0.9989 3071586 PK04_108091 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E12 compound treatment 4390126.087 704000.0 0.76 3751353.791 19400.0 0.02 0.5541 0.7255 3188130 PK04_108092 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E13 compound treatment 2556205.128 -1130000.0 -1.22 4118096.154 386000.0 0.4 -0.5824 -0.4518 3188131 PK04_108093 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E14 compound treatment 3201958.333 -484000.0 -0.52 3861237.736 129000.0 0.13 -0.2761 -0.5097 3071587 PK04_108094 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E15 compound treatment 2769510.836 -916000.0 -0.99 3613204.461 -119000.0 -0.12 -0.79 -0.7889 3188132 PK04_108095 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E16 compound treatment 2807536.364 -878000.0 -0.95 3622464.945 -110000.0 -0.11 -0.754 -0.786 3071588 PK04_108096 BrC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E17 mock treatment 3121286.713 -565000.0 -0.61 3855425.197 123000.0 0.13 -0.3422 -0.5471 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E18 mock treatment 2115923.077 -1570000.0 -1.7 3528264.925 -204000.0 -0.21 -1.3535 -0.789 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E19 compound treatment 2569093.023 -1120000.0 -1.21 3620972.973 -111000.0 -0.12 -0.9379 -0.771 3188133 PK04_108097 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E20 compound treatment 4031903.382 346000.0 0.38 3569959.41 -162000.0 -0.17 0.1461 0.3554 3071589 PK04_108098 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E21 compound treatment 4285594.47 600000.0 0.65 3272618.182 -459000.0 -0.48 0.1221 0.1514 3188134 PK04_108099 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E22 compound treatment 3971077.273 285000.0 0.31 3348855.124 -383000.0 -0.4 -0.063 -0.125 3071590 PK04_108100 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E23 compound treatment 3810464.135 124000.0 0.13 3338758.755 -393000.0 -0.41 -0.1936 -0.4497 3188135 PK04_108101 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 E24 compound treatment 3376637.255 -309000.0 -0.34 3008700.389 -723000.0 -0.75 -0.7688 -0.9339 3071591 PK04_108102 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F01 mock treatment 3344668.203 -341000.0 -0.37 3548427.184 -184000.0 -0.19 -0.3966 -0.9525 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F02 mock treatment 4203502.463 518000.0 0.56 4316904.545 585000.0 0.61 0.8267 0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F03 compound treatment 3988924.051 303000.0 0.33 4471429.967 739000.0 0.77 0.7757 0.9281 3188136 PK04_108103 CC(C)C[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F04 compound treatment 3921452.586 235000.0 0.26 4051171.975 319000.0 0.33 0.4151 0.9916 3071592 PK04_108104 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F05 compound treatment 3867213.389 181000.0 0.2 4467237.154 735000.0 0.76 0.6793 0.8609 3188137 PK04_108105 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](C)NC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F06 compound treatment 3644745.455 -41300.0 -0.04 3755996.269 24000.0 0.02 -0.014 -0.2729 3071592 PK04_108106 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F07 compound treatment 3369570.447 -316000.0 -0.34 4090657.795 359000.0 0.37 0.021 0.0415 3071593 PK04_108107 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F08 compound treatment 2068088.312 -1620000.0 -1.75 3578474.194 -154000.0 -0.16 -1.3533 -0.7683 3188138 PK04_108108 Cc1ccc(cc1)S(=O)(=O)N(CCC=C)CC#C[C@H]2Oc3ccccc3S(=O)(=O)N4CCC[C@@H]24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F09 mock treatment 1923719.78 -1760000.0 -1.91 4008114.695 276000.0 0.29 -1.1482 -0.5942 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F10 mock treatment 2860342.466 -826000.0 -0.9 3803522.648 71500.0 0.07 -0.5804 -0.6461 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F11 compound treatment 3489463.115 -197000.0 -0.21 3939952.542 208000.0 0.22 0.0022 0.0072 3188139 PK04_108109 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F12 compound treatment 3323699.605 -362000.0 -0.39 3367696.97 -364000.0 -0.38 -0.5455 -0.9998 3071594 PK04_108110 O=S1(=O)N2CCC[C@H]2[C@H](Oc3ccccc31)C#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F13 compound treatment 3421004.878 -265000.0 -0.29 3736089.655 4110.0 0.0 -0.2001 -0.6965 3188140 PK04_108111 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](C)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F14 compound treatment 2196412.234 -1490000.0 -1.62 3542632.867 -189000.0 -0.2 -1.2812 -0.7874 3414064 PK04_108112 O=S1(=O)N2CCC[C@@H]2[C@@H](Oc3ccccc31)C#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F15 compound treatment 2656701.087 -1030000.0 -1.12 3764066.667 32100.0 0.03 -0.7656 -0.6857 3071596 PK04_108113 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](C)NC(=O)[C@@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F16 compound treatment 2244523.161 -1440000.0 -1.56 3839308.442 107000.0 0.11 -1.0263 -0.655 3188141 PK04_108114 C=CC(=C)[C@H]1Oc2ccccc2S(=O)(=O)N3CCC[C@@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F17 mock treatment 2089734.336 -1600000.0 -1.73 3844183.521 112000.0 0.12 -1.1414 -0.658 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F18 mock treatment 3163069.536 -523000.0 -0.57 3527131.148 -205000.0 -0.21 -0.5515 -0.9106 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F19 compound treatment 3069557.864 -616000.0 -0.67 3778399.293 46400.0 0.05 -0.4385 -0.6544 3188142 PK04_108115 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F20 compound treatment 3759091.371 73100.0 0.08 5276290.698 1540000.0 1.61 1.1911 0.7411 3071597 PK04_108116 Cc1ccc(cc1)S(=O)(=O)NC/C=C\C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F21 compound treatment 3275942.652 -410000.0 -0.44 3463967.532 -268000.0 -0.28 -0.5114 -0.9746 3188143 PK04_108117 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F22 compound treatment 3461901.408 -224000.0 -0.24 3561552.542 -170000.0 -0.18 -0.2971 -0.9879 3071598 PK04_108118 Cc1ccc(cc1)S(=O)(=O)NC/C=C/C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F23 compound treatment 3342509.96 -343000.0 -0.37 3445975.265 -286000.0 -0.3 -0.4736 -0.9938 3188144 PK04_108119 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC4=O)[C@@H]5O[C@@]51C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 F24 compound treatment 3531353.659 -155000.0 -0.17 3212215.094 -520000.0 -0.54 -0.5006 -0.8849 3188260 PK04_108120 CC(=O)O[C@@H]([C@@H]1CCCN1S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=C)C3=CCN(C3)S(=O)(=O)c4ccc(C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G01 compound treatment 3258790.393 -427000.0 -0.46 3795017.094 63000.0 0.07 -0.2812 -0.6011 3071599 PK04_108121 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G02 compound treatment 3442987.854 -243000.0 -0.26 3518935.065 -213000.0 -0.22 -0.3429 -0.9963 3188261 PK04_108122 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3cccc(C)c3)C(=O)[C@@]42CO4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G03 mock treatment 3961989.899 276000.0 0.3 3626037.288 -106000.0 -0.11 0.1337 0.4194 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G04 mock treatment 3641216.346 -44800.0 -0.05 3860615.385 129000.0 0.13 0.0602 0.4233 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G05 compound treatment 3898831.111 213000.0 0.23 3737765.873 5780.0 0.01 0.1674 0.7253 3188262 PK04_108123 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G06 compound treatment 3437512.727 -248000.0 -0.27 3307240.55 -425000.0 -0.44 -0.5027 -0.9719 3071600 PK04_108124 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(OC)C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G07 compound treatment 2938731.788 -747000.0 -0.81 3624705.686 -107000.0 -0.11 -0.6518 -0.7969 3189036 PK04_108125 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G08 compound treatment 2247300.254 -1440000.0 -1.56 3859389.831 127000.0 0.13 -1.0094 -0.6448 3071601 PK04_108126 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G09 compound treatment 2149763.926 -1540000.0 -1.67 3755465.95 23500.0 0.02 -1.1606 -0.6967 3188263 PK04_108127 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G10 compound treatment 2448142.857 -1240000.0 -1.34 3692305.455 -39700.0 -0.04 -0.9782 -0.7285 3071602 PK04_108128 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G11 compound treatment 3813350.711 127000.0 0.14 3769689.046 37700.0 0.04 0.1254 0.8733 3188264 PK04_108129 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G12 compound treatment 3722756.757 36800.0 0.04 3830391.586 98400.0 0.1 0.1005 0.9156 3071603 PK04_108130 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G13 compound treatment 3856346.774 170000.0 0.18 4029601.351 298000.0 0.31 0.3493 0.9696 3188265 PK04_108131 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G14 compound treatment 2328307.305 -1360000.0 -1.47 3764651.163 32700.0 0.03 -1.0169 -0.6906 3071604 PK04_108132 CCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G15 compound treatment 2667908.377 -1020000.0 -1.1 3542228.395 -190000.0 -0.2 -0.92 -0.8205 3188266 PK04_108133 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G16 compound treatment 2265962.025 -1420000.0 -1.54 3254026.403 -478000.0 -0.5 -1.44 -0.8901 3071651 PK04_108134 IC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G17 compound treatment 2131903.704 -1550000.0 -1.69 3692448.763 -39500.0 -0.04 -1.2206 -0.7241 3188267 PK04_108135 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G18 compound treatment 1921967.419 -1760000.0 -1.91 3250078.947 -482000.0 -0.5 -1.7067 -0.8632 3071652 PK04_108136 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G19 mock treatment 3481555.556 -204000.0 -0.22 3380073.826 -352000.0 -0.37 -0.4154 -0.9712 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G20 mock treatment 4015732.075 330000.0 0.36 3514963.087 -217000.0 -0.23 0.0933 0.2207 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G21 compound treatment 4346928.0 661000.0 0.72 3015675.182 -716000.0 -0.74 -0.0197 -0.0191 3189164 PK04_108137 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G22 compound treatment 3053639.64 -632000.0 -0.69 2746477.099 -986000.0 -1.02 -1.2091 -0.9809 3071653 PK04_108138 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G23 compound treatment 3878490.099 192000.0 0.21 3146795.053 -585000.0 -0.61 -0.2825 -0.4393 3189167 PK04_108139 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 G24 compound treatment 4052265.0 366000.0 0.4 3373746.667 -358000.0 -0.37 0.0175 0.0322 3188268 PK04_108140 CCCCO[C@H]1C[C@H]2C(=C[C@]1(CO)C(=O)[C@@]32CO3)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H01 compound treatment 3282792.746 -403000.0 -0.44 3929229.592 197000.0 0.21 -0.1642 -0.34 3188269 PK04_108141 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H02 compound treatment 4429835.821 744000.0 0.81 4588131.579 856000.0 0.89 1.1995 0.9988 3071654 PK04_108142 [O-][N+](=O)c1ccccc1S(=O)(=O)N2CCC[C@@H]2[C@H]3OCC=C3C(=C)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H03 mock treatment 4256622.642 571000.0 0.62 4545917.391 814000.0 0.85 1.0357 0.9882 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H04 mock treatment 4349063.927 663000.0 0.72 4620504.237 889000.0 0.92 1.1614 0.9923 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H05 compound treatment 4018529.63 333000.0 0.36 4374692.913 643000.0 0.67 0.7273 0.9581 3188270 PK04_108143 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H06 compound treatment 3108808.664 -577000.0 -0.63 4667020.833 935000.0 0.97 0.2447 0.2117 3071655 PK04_108144 CN1C(=O)C2CC=C(CC2C1=O)C3=CCO[C@@H]3[C@H]4CCCN4S(=O)(=O)c5ccccc5[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H07 compound treatment 2618204.969 -1070000.0 -1.16 4150027.491 418000.0 0.43 -0.5114 -0.4136 3188271 PK04_108145 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H08 compound treatment 2942838.617 -743000.0 -0.81 4099630.872 368000.0 0.38 -0.2996 -0.3359 3071656 PK04_108146 CN1C(=C)C2CC3C4C(C5CO[C@H]([C@H]6CCCN6S(=O)(=O)c7ccccc7[N+](=O)[O-])C5=C3CC2C1=O)C(=O)N(C)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H09 compound treatment 2296134.752 -1390000.0 -1.51 4038587.121 307000.0 0.32 -0.8402 -0.5455 3188272 PK04_108147 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H10 compound treatment 2182083.11 -1500000.0 -1.63 4154413.386 422000.0 0.44 -0.8426 -0.4989 3071529 PK04_108148 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H11 compound treatment 3757683.794 71700.0 0.08 4278121.528 546000.0 0.57 0.4564 0.7965 3188273 PK04_108149 CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC1=O)[C@@H]6O[C@]6(C)[C@H]4C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H12 compound treatment 3258519.38 -427000.0 -0.46 3897628.159 166000.0 0.17 -0.206 -0.4166 3071527 PK04_108150 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H13 compound treatment 3018081.712 -668000.0 -0.72 3921415.385 189000.0 0.2 -0.3729 -0.4968 3071658 PK04_108151 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H14 compound treatment 1615917.96 -2070000.0 -2.24 3940152.985 208000.0 0.22 -1.4341 -0.636 3188274 PK04_108152 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H15 compound treatment 2884270.557 -802000.0 -0.87 3950767.918 219000.0 0.23 -0.4539 -0.5051 3188275 PK04_108153 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H16 compound treatment 3513631.818 -172000.0 -0.19 3815046.263 83100.0 0.09 -0.0711 -0.3454 3071661 PK04_108154 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H17 compound treatment 3363812.5 -322000.0 -0.35 3829545.455 97600.0 0.1 -0.1753 -0.4819 3188391 PK04_108155 CC(C)C[C@H]1NC(=O)[C@H](CC(C)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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H18 compound treatment 1764657.957 -1920000.0 -2.08 3265459.364 -467000.0 -0.48 -1.816 -0.849 3071664 PK04_108156 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H19 mock treatment 2815252.308 -871000.0 -0.94 3844889.286 113000.0 0.12 -0.5846 -0.6145 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H20 mock treatment 2253283.237 -1430000.0 -1.55 3758302.326 26300.0 0.03 -1.0791 -0.6945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H21 compound treatment 3064855.422 -621000.0 -0.67 3621025.547 -111000.0 -0.12 -0.5578 -0.8163 3188392 PK04_108157 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H22 compound treatment 3521963.855 -164000.0 -0.18 3475029.63 -257000.0 -0.27 -0.3146 -0.9805 3071666 PK04_108158 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H23 compound treatment 3607788.991 -78200.0 -0.08 3886653.137 155000.0 0.16 0.0537 0.2955 3188393 PK04_108159 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H]6CCCN6C2=O)[C@@H]7O[C@]7(C)[C@H]4C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 H24 compound treatment 3947167.464 261000.0 0.28 3590619.247 -141000.0 -0.15 0.0963 0.302 3071711 PK04_108160 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I01 compound treatment 3392030.928 -294000.0 -0.32 3592530.12 -139000.0 -0.14 -0.3279 -0.9364 3188394 PK04_108161 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I02 compound treatment 3674894.495 -11100.0 -0.01 3668421.941 -63600.0 -0.07 -0.0552 -0.8224 3071714 PK04_108162 OC[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I03 compound treatment 3529142.857 -157000.0 -0.17 3784090.129 52100.0 0.05 -0.082 -0.4592 3188395 PK04_108163 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I04 compound treatment 3474253.275 -212000.0 -0.23 3683540.65 -48400.0 -0.05 -0.1979 -0.8422 3071715 PK04_108164 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I05 mock treatment 3467776.699 -218000.0 -0.24 3795416.031 63400.0 0.07 -0.1207 -0.4913 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I06 mock treatment 3294224.215 -392000.0 -0.42 3574744.094 -157000.0 -0.16 -0.4159 -0.9139 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I07 compound treatment 3796459.35 110000.0 0.12 3609466.926 -123000.0 -0.13 -0.0054 -0.0306 3188396 PK04_108165 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I08 compound treatment 2980796.296 -705000.0 -0.76 3633709.677 -98300.0 -0.1 -0.6129 -0.7945 3071717 PK04_108166 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I09 compound treatment 3233046.693 -453000.0 -0.49 3402476.534 -330000.0 -0.34 -0.5895 -0.9845 3188397 PK04_108167 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I10 compound treatment 2598147.945 -1090000.0 -1.18 3470228.782 -262000.0 -0.27 -1.0264 -0.8479 3071720 PK04_108168 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I11 compound treatment 2616468.944 -1070000.0 -1.16 3671626.866 -60400.0 -0.06 -0.8644 -0.7443 3188398 PK04_108169 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I12 compound treatment 3145953.782 -540000.0 -0.59 3335161.654 -397000.0 -0.41 -0.7057 -0.9853 3071724 PK04_108170 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@]4(CO4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I13 compound treatment 2560077.703 -1130000.0 -1.22 3597856.574 -134000.0 -0.14 -0.9618 -0.7828 3071725 PK04_108171 COC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I14 compound treatment 1938441.86 -1750000.0 -1.89 3401518.644 -330000.0 -0.34 -1.5827 -0.8219 3071727 PK04_108172 C[C@]12COC[C@@]2(C=C(Br)[C@@H]3C1)C(=O)[C@@]43CO4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I15 compound treatment 2562574.675 -1120000.0 -1.22 2683583.333 -1050000.0 -1.09 -1.6319 -0.9985 3188399 PK04_108173 COC(=O)[C@H](Cc1ccc(O)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I16 compound treatment 3477297.414 -209000.0 -0.23 3350697.509 -381000.0 -0.4 -0.4402 -0.9647 3071766 PK04_108174 CCCCC[C@H]1OC[C@@]2(C=C(Br)[C@@H]3CC12)C(=O)[C@@]43CO4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I17 compound treatment 2897614.286 -788000.0 -0.85 2911597.07 -820000.0 -0.85 -1.2074 -1.0 3188400 PK04_108175 COC(=O)[C@H](Cc1ccc(OCC#C)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I18 compound treatment 2959214.953 -727000.0 -0.79 3500679.31 -231000.0 -0.24 -0.7272 -0.8827 3071767 PK04_108176 CC1(C)OC[C@@]2(C=C(Br)[C@@H]3C[C@H]12)C(=O)[C@@]43CO4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I19 compound treatment 1837742.466 -1850000.0 -2.0 2776038.023 -956000.0 -0.99 -2.1196 -0.9476 3188401 PK04_108177 Oc1ccc(C[C@@H]2N(CC#C)[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I20 compound treatment 2478351.906 -1210000.0 -1.31 3364934.426 -367000.0 -0.38 -1.1957 -0.8767 3071770 PK04_108178 BrC1=C[C@]23COCC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I21 mock treatment 3199593.886 -486000.0 -0.53 3253814.815 -478000.0 -0.5 -0.7244 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I22 mock treatment 3961860.262 276000.0 0.3 3181939.068 -550000.0 -0.57 -0.1928 -0.2988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I23 compound treatment 3256184.211 -430000.0 -0.47 3067340.0 -665000.0 -0.69 -0.818 -0.9816 3188402 PK04_108179 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccc(OCC#C)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 I24 compound treatment 3591766.129 -94200.0 -0.1 3187295.72 -545000.0 -0.57 -0.4726 -0.8214 3071774 PK04_108180 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J01 compound treatment 3763133.971 77100.0 0.08 4373655.814 642000.0 0.67 0.5308 0.7896 3188403 PK04_108181 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J02 compound treatment 3693746.544 7750.0 0.01 4159261.411 427000.0 0.44 0.32 0.7204 3071776 PK04_108182 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(Cc5ccccc5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J03 compound treatment 4503307.692 817000.0 0.89 5093675.214 1360000.0 1.42 1.6274 0.9746 3188404 PK04_108183 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](C)NC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J04 compound treatment 4104702.97 419000.0 0.45 4367924.883 636000.0 0.66 0.7884 0.9832 3188405 PK04_108184 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J05 mock treatment 3837761.062 152000.0 0.16 4581068.966 849000.0 0.88 0.7404 0.8247 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J06 mock treatment 3764533.019 78500.0 0.09 4576957.627 845000.0 0.88 0.6812 0.772 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J07 compound treatment 3801953.586 116000.0 0.13 4697016.667 965000.0 1.0 0.7982 0.7896 3070928 PK04_108185 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC4=O)[C@@H]6O[C@@]61C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J08 compound treatment 3508536.797 -177000.0 -0.19 4101329.71 369000.0 0.38 0.1354 0.3153 3070929 PK04_108186 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(C)C4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J09 compound treatment 3581282.258 -105000.0 -0.11 4133669.202 402000.0 0.42 0.2149 0.4968 3070930 PK04_108187 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C1=O)[C@@H]6O[C@]6(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J10 compound treatment 2097925.62 -1590000.0 -1.72 3902445.378 170000.0 0.18 -1.0923 -0.631 3188406 PK04_108188 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)COc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J11 compound treatment 2547142.857 -1140000.0 -1.23 4039342.629 307000.0 0.32 -0.6472 -0.5075 3188407 PK04_108189 CC(C)C[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C1=O)[C@@H]6O[C@]6(C)[C@H]3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J12 compound treatment 2097799.065 -1590000.0 -1.72 3813525.097 81500.0 0.08 -1.1577 -0.6715 3070931 PK04_108190 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J13 compound treatment 2390706.173 -1300000.0 -1.4 3633920.152 -98100.0 -0.1 -1.0652 -0.7564 3070932 PK04_108191 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J14 compound treatment 2027077.465 -1660000.0 -1.8 3764680.451 32700.0 0.03 -1.2478 -0.6936 3070933 PK04_108192 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J15 compound treatment 2628662.252 -1060000.0 -1.15 3433003.472 -299000.0 -0.31 -1.0304 -0.8675 3188522 PK04_108193 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J16 compound treatment 3236902.28 -449000.0 -0.49 3658883.212 -73100.0 -0.08 -0.398 -0.8077 3188523 PK04_108194 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J17 compound treatment 3170442.568 -516000.0 -0.56 3548652.632 -183000.0 -0.19 -0.53 -0.8974 3070934 PK04_108195 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J18 compound treatment 2704953.89 -981000.0 -1.06 3339871.429 -392000.0 -0.41 -1.0404 -0.9133 3188524 PK04_108196 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J19 compound treatment 3017392.638 -669000.0 -0.72 3545735.192 -186000.0 -0.19 -0.6495 -0.8656 3070935 PK04_108197 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J20 compound treatment 2213834.254 -1470000.0 -1.6 3545659.341 -186000.0 -0.19 -1.2656 -0.7871 3188525 PK04_108198 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J21 mock treatment 2802708.333 -883000.0 -0.96 3299223.022 -433000.0 -0.45 -0.9953 -0.9406 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J22 mock treatment 3713087.719 27100.0 0.03 3354939.85 -377000.0 -0.39 -0.2563 -0.6523 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J23 compound treatment 3477742.537 -208000.0 -0.23 3093463.023 -639000.0 -0.66 -0.629 -0.8972 3070936 PK04_108199 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 J24 compound treatment 1830978.261 -1860000.0 -2.01 1935488.889 -1800000.0 -1.87 -2.7426 -0.9993 3188526 PK04_108200 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@@H](CCc6ccccc6)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K01 compound treatment 3117515.284 -568000.0 -0.62 4276407.563 544000.0 0.57 -0.0357 -0.0427 3070937 PK04_108201 COC(=O)[C@H](Cc1ccc(O)cc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K02 compound treatment 3534179.245 -152000.0 -0.16 3951413.127 219000.0 0.23 0.0449 0.1595 3188527 PK04_108202 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K03 compound treatment 3727444.882 41400.0 0.04 4226556.777 495000.0 0.51 0.3953 0.766 3188528 PK04_108203 Oc1ccc(C[C@@H]2N3CC4=CCCC=C[C@@H]4[C@H]3[C@@H](Cc5ccccc5)OC2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K04 compound treatment 3905606.481 220000.0 0.24 3988054.264 256000.0 0.27 0.3566 0.9985 3070938 PK04_108204 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K05 compound treatment 4308752.525 623000.0 0.68 4264557.621 533000.0 0.55 0.8689 0.9951 3188529 PK04_108205 COC(=O)[C@H](Cc1ccccc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K06 compound treatment 3025082.734 -661000.0 -0.72 3183799.308 -548000.0 -0.57 -0.9096 -0.9936 3070939 PK04_108206 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)c4ccccc4)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K07 mock treatment 3912598.592 227000.0 0.25 4175135.135 443000.0 0.46 0.4994 0.9567 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K08 mock treatment 3728838.71 42800.0 0.05 3949950.758 218000.0 0.23 0.193 0.8347 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K09 compound treatment 3167336.283 -519000.0 -0.56 3344277.154 -388000.0 -0.4 -0.6826 -0.9866 3188530 PK04_108207 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K10 compound treatment 1830041.551 -1860000.0 -2.01 3546361.486 -186000.0 -0.19 -1.5594 -0.7714 3188531 PK04_108208 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K11 compound treatment 3153715.909 -532000.0 -0.58 3987696.113 256000.0 0.27 -0.2202 -0.3465 3070940 PK04_108209 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K12 compound treatment 3282736.156 -403000.0 -0.44 3536808.271 -195000.0 -0.2 -0.4526 -0.939 3188532 PK04_108210 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K13 compound treatment 1750898.551 -1940000.0 -2.1 3442263.538 -290000.0 -0.3 -1.6966 -0.8004 3188533 PK04_108211 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K14 compound treatment 2245092.732 -1440000.0 -1.56 4160483.019 428000.0 0.45 -0.7898 -0.4862 3070941 PK04_108212 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K15 mock treatment 3918334.728 232000.0 0.25 3982547.855 251000.0 0.26 0.3623 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K16 mock treatment 4671434.109 985000.0 1.07 3915731.959 184000.0 0.19 0.8906 0.8205 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K17 compound treatment 4115597.07 430000.0 0.47 4046696.875 315000.0 0.33 0.5607 0.985 3188534 PK04_108213 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K18 compound treatment 2511111.959 -1170000.0 -1.27 4121323.843 389000.0 0.4 -0.6146 -0.4598 3070942 PK04_108214 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K19 compound treatment 3253539.773 -432000.0 -0.47 3978399.254 246000.0 0.26 -0.1505 -0.2816 3188535 PK04_108215 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K20 compound treatment 3040805.732 -645000.0 -0.7 3885943.82 154000.0 0.16 -0.3815 -0.5316 3070943 PK04_108216 CC(C)Oc1ccc(cc1)C(=O)N2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K21 compound treatment 3293106.996 -393000.0 -0.43 3397261.538 -335000.0 -0.35 -0.5472 -0.9949 3188536 PK04_108217 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K22 compound treatment 4605502.092 920000.0 1.0 3557535.316 -174000.0 -0.18 0.5768 0.5692 3188537 PK04_108218 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Br)cc3)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K23 mock treatment 4676781.095 991000.0 1.07 3794959.016 63000.0 0.07 0.8059 0.7488 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 K24 mock treatment 4305698.925 620000.0 0.67 3192056.18 -540000.0 -0.56 0.0783 0.0894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L01 compound treatment 3807211.454 121000.0 0.13 3992866.667 261000.0 0.27 0.2847 0.9447 3070944 PK04_108219 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L02 compound treatment 4085058.036 399000.0 0.43 4297088.496 565000.0 0.59 0.7213 0.9887 3188538 PK04_108220 CCCC[C@H]1OB(O)C[C@H]2C1=C(C)Cn3n2c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L03 compound treatment 4338698.565 653000.0 0.71 4056914.063 325000.0 0.34 0.7392 0.9427 3188539 PK04_108221 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L04 compound treatment 4813937.198 1130000.0 1.22 4531963.964 800000.0 0.83 1.4527 0.9823 3215882 PK04_108222 CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn3n2c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L05 compound treatment 4553320.856 867000.0 0.94 3929556.818 198000.0 0.21 0.8102 0.8417 3188540 PK04_108223 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L06 compound treatment 1587983.333 -2100000.0 -2.27 2070375.0 -1660000.0 -1.73 -2.8298 -0.9908 3215880 PK04_108224 CCCC[C@H]1OB(O)C[C@H]2C1=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L07 mock treatment 4568911.647 883000.0 0.96 4450372.807 718000.0 0.75 1.2049 0.9924 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L08 mock treatment 4168480.836 482000.0 0.52 4616007.968 884000.0 0.92 1.0197 0.9643 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L09 compound treatment 4610635.417 925000.0 1.0 4294467.532 562000.0 0.58 1.1223 0.967 3188541 PK04_108225 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L10 compound treatment 3294408.56 -392000.0 -0.42 3854456.604 122000.0 0.13 -0.2102 -0.4742 3188542 PK04_108226 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L11 compound treatment 3393112.613 -293000.0 -0.32 3218767.932 -513000.0 -0.53 -0.6018 -0.9693 3070947 PK04_108227 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L12 compound treatment 4029920.833 344000.0 0.37 4077919.028 346000.0 0.36 0.5179 0.9998 3188543 PK04_108228 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L13 compound treatment 3804711.111 119000.0 0.13 3491160.156 -241000.0 -0.25 -0.086 -0.3055 3188544 PK04_108229 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L14 compound treatment 2030285.714 -1660000.0 -1.8 3422514.056 -309000.0 -0.32 -1.4969 -0.8207 3070948 PK04_108230 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)C=CC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L15 mock treatment 3385132.353 -301000.0 -0.33 4105608.856 374000.0 0.39 0.0439 0.0866 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L16 mock treatment 4355221.402 669000.0 0.73 4279850.534 548000.0 0.57 0.9158 0.9928 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L17 compound treatment 3275436.047 -411000.0 -0.45 3806875.486 74900.0 0.08 -0.2597 -0.5747 3188657 PK04_108231 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5cccc(c5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L18 compound treatment 2722562.66 -963000.0 -1.04 4010707.407 279000.0 0.29 -0.5338 -0.4924 3070949 PK04_108232 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)C=CC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L19 compound treatment 3876948.553 191000.0 0.21 4204410.256 472000.0 0.49 0.4936 0.9263 3188658 PK04_108233 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L20 compound treatment 4460629.371 775000.0 0.84 4338993.289 607000.0 0.63 1.04 0.9901 3070950 PK04_108234 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)C=CC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L21 compound treatment 4670526.971 985000.0 1.07 3598146.853 -134000.0 -0.14 0.6565 0.6098 3188659 PK04_108235 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4cccc(NC(=O)OCC5c6ccccc6-c7ccccc57)c4)c8ccc(I)cc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L22 compound treatment 4235411.321 549000.0 0.6 3632543.333 -99400.0 -0.1 0.3481 0.5758 3070951 PK04_108236 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)C=CC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L23 mock treatment 4718241.803 1030000.0 1.12 3421246.324 -311000.0 -0.32 0.563 0.4833 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 L24 mock treatment 4503080.851 817000.0 0.89 3067003.378 -665000.0 -0.69 0.1377 0.1226 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M01 compound treatment 2697154.676 -989000.0 -1.07 2698467.354 -1030000.0 -1.07 -1.5177 -1.0 3188660 PK04_108237 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M02 compound treatment 3060104.545 -626000.0 -0.68 3260263.333 -472000.0 -0.49 -0.8266 -0.9873 3070952 PK04_108238 CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M03 compound treatment 2767119.342 -919000.0 -1.0 2802031.746 -930000.0 -0.97 -1.388 -0.9999 3188661 PK04_108239 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M04 compound treatment 3365479.638 -321000.0 -0.35 2995673.913 -736000.0 -0.77 -0.7869 -0.9362 3070953 PK04_108240 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M05 compound treatment 3352547.619 -333000.0 -0.36 3573498.127 -158000.0 -0.16 -0.3721 -0.9366 3188662 PK04_108241 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@@H]2[C@@H](O)Cc3ccccc3)/C=C/C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M06 compound treatment 2821440.0 -865000.0 -0.94 3332411.972 -400000.0 -0.42 -0.9565 -0.9329 3070954 PK04_108242 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)c3ccccc3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M07 compound treatment 3371081.395 -315000.0 -0.34 3492249.135 -240000.0 -0.25 -0.4176 -0.988 3188663 PK04_108243 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M08 compound treatment 2899128.676 -787000.0 -0.85 3254062.731 -478000.0 -0.5 -0.9545 -0.9669 3188664 PK04_108244 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)Nc3ccccc3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M09 mock treatment 3441107.477 -245000.0 -0.27 3344616.438 -387000.0 -0.4 -0.4725 -0.9796 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M10 mock treatment 3273506.494 -412000.0 -0.45 3282407.273 -450000.0 -0.47 -0.6467 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M11 compound treatment 3054627.907 -631000.0 -0.68 3156738.516 -575000.0 -0.6 -0.9069 -0.9977 3070955 PK04_108245 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M12 compound treatment 3360178.899 -326000.0 -0.35 3491918.919 -240000.0 -0.25 -0.4262 -0.9855 3188665 PK04_108246 CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M13 mock treatment 3356189.781 -330000.0 -0.36 3082892.734 -649000.0 -0.67 -0.7299 -0.9559 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M14 mock treatment 3119928.082 -566000.0 -0.61 3096207.692 -636000.0 -0.66 -0.9013 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M15 compound treatment 2487710.526 -1200000.0 -1.3 3184757.353 -547000.0 -0.57 -1.3209 -0.9313 3188666 PK04_108247 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M16 compound treatment 1877908.854 -1810000.0 -1.96 3165795.62 -566000.0 -0.59 -1.8024 -0.8806 3070994 PK04_108248 CC(C)Oc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M17 compound treatment 3361748.031 -324000.0 -0.35 3125148.148 -607000.0 -0.63 -0.6946 -0.9619 3188667 PK04_108249 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4ccccc4Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M18 compound treatment 3419450.216 -267000.0 -0.29 3081862.816 -650000.0 -0.68 -0.6822 -0.9282 3070995 PK04_108250 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4OCOc4c3)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M19 compound treatment 3518776.423 -167000.0 -0.18 3013119.298 -719000.0 -0.75 -0.6566 -0.8539 3188668 PK04_108251 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c2ccccc2)[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M20 compound treatment 4158162.055 472000.0 0.51 3236784.615 -495000.0 -0.51 -0.002 -0.0027 2133134 PK04_108252 CCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M21 compound treatment 3218200.758 -468000.0 -0.51 2999170.909 -733000.0 -0.76 -0.8973 -0.9805 3070996 PK04_108253 O[C@@H](Cc1ccccc1)[C@@H](/C=C/c2ccccc2)N(CC#C)Cc3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M22 compound treatment 3599053.942 -86900.0 -0.09 2918316.726 -814000.0 -0.85 -0.6647 -0.7811 2133147 PK04_108254 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCCO4)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M23 compound treatment 3516147.541 -170000.0 -0.18 2847404.11 -885000.0 -0.92 -0.7804 -0.8322 3070997 PK04_108255 CCCC/C=C/[C@H]([C@@H](O)Cc1ccccc1)N(CC#Cc2ccccc2)Cc3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 M24 compound treatment 3187000.0 -499000.0 -0.54 2337262.59 -1390000.0 -1.45 -1.4077 -0.9097 3188671 PK04_108256 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCCc3c[nH]c4ccccc34)[C@@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N01 compound treatment 3370868.085 -315000.0 -0.34 2911166.667 -821000.0 -0.85 -0.8449 -0.9193 3188672 PK04_108257 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(OC(=O)OC(C)(C)C)cc4)c5ccc(I)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N02 compound treatment 3769609.302 83600.0 0.09 3330355.556 -402000.0 -0.42 -0.2311 -0.5409 3070998 PK04_108258 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N03 compound treatment 4008405.512 322000.0 0.35 3590665.493 -141000.0 -0.15 0.1433 0.378 3188673 PK04_108259 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N04 compound treatment 3507000.0 -179000.0 -0.19 3847698.473 116000.0 0.12 -0.0522 -0.2286 3070999 PK04_108260 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N05 compound treatment 3531920.792 -154000.0 -0.17 3720892.857 -11100.0 -0.01 -0.1263 -0.7541 3188674 PK04_108261 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N06 compound treatment 3435677.57 -250000.0 -0.27 3418231.527 -314000.0 -0.33 -0.4225 -0.9958 3071000 PK04_108262 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)CCc3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N07 compound treatment 3794060.87 108000.0 0.12 3725642.599 -6340.0 -0.01 0.0782 0.6663 3188675 PK04_108263 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N08 compound treatment 3514444.828 -172000.0 -0.19 3482430.341 -250000.0 -0.26 -0.3149 -0.9867 3188676 PK04_108264 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N09 mock treatment 3750760.331 64800.0 0.07 3922545.455 191000.0 0.2 0.1897 0.9027 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N10 mock treatment 3600389.961 -85600.0 -0.09 3774304.183 42300.0 0.04 -0.0345 -0.3362 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N11 compound treatment 3563187.97 -123000.0 -0.13 3459193.05 -273000.0 -0.28 -0.2947 -0.9406 3071001 PK04_108265 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N12 compound treatment 3465566.524 -220000.0 -0.24 3116559.567 -615000.0 -0.64 -0.6213 -0.9099 3188677 PK04_108266 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N13 mock treatment 3395180.258 -291000.0 -0.32 3357245.791 -375000.0 -0.39 -0.4984 -0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N14 mock treatment 3563183.824 -123000.0 -0.13 3198000.0 -534000.0 -0.56 -0.4866 -0.8526 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N15 compound treatment 3614641.35 -71400.0 -0.08 3282929.936 -449000.0 -0.47 -0.3848 -0.8132 3071002 PK04_108267 OCC1CC(=NO1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N16 compound treatment 3495526.786 -190000.0 -0.21 3137382.143 -595000.0 -0.62 -0.5831 -0.8948 3188788 PK04_108268 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N17 compound treatment 3486059.761 -200000.0 -0.22 3227961.538 -504000.0 -0.52 -0.5237 -0.9237 3071004 PK04_108269 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N18 compound treatment 3335229.63 -351000.0 -0.38 3209203.509 -523000.0 -0.54 -0.6532 -0.9848 3071005 PK04_108270 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N19 compound treatment 3452809.524 -233000.0 -0.25 3102716.667 -629000.0 -0.65 -0.6413 -0.9145 3414065 PK04_108271 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N20 compound treatment 3258523.333 -427000.0 -0.46 3052433.447 -680000.0 -0.71 -0.8272 -0.9791 3188790 PK04_108272 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N21 compound treatment 3743009.852 57000.0 0.06 2863706.452 -868000.0 -0.9 -0.5945 -0.6571 3071008 PK04_108273 CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3=C2CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)C1(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N22 compound treatment 3561336.879 -125000.0 -0.14 2793723.247 -938000.0 -0.98 -0.7852 -0.7975 3188791 PK04_108274 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N23 compound treatment 3426637.168 -259000.0 -0.28 2802131.034 -930000.0 -0.97 -0.8823 -0.8765 3188792 PK04_108275 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 N24 compound treatment 3118071.685 -568000.0 -0.62 2293286.195 -1440000.0 -1.5 -1.4928 -0.9231 3188793 PK04_108276 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O01 compound treatment 3059203.463 -627000.0 -0.68 2870524.164 -861000.0 -0.9 -1.1137 -0.9907 3071055 PK04_108277 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O02 compound treatment 2988500.0 -697000.0 -0.76 3106651.452 -625000.0 -0.65 -0.9944 -0.9972 2129060 PK04_108278 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCC3CCCCC3)[C@@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O03 compound treatment 3232137.546 -454000.0 -0.49 3407193.133 -325000.0 -0.34 -0.5867 -0.9831 3188794 PK04_108279 O[C@@H](Cc1ccccc1)[C@H](NCc2cccc(Cl)c2)/C=C/C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O04 compound treatment 3120044.828 -566000.0 -0.61 3381024.691 -351000.0 -0.36 -0.6919 -0.9691 2129057 PK04_108280 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC[C@@H]3CCCO3)[C@@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O05 compound treatment 3150614.286 -535000.0 -0.58 3164589.552 -567000.0 -0.59 -0.8275 -1.0 3188796 PK04_108281 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4cccc(Cl)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O06 compound treatment 3158186.364 -528000.0 -0.57 3368331.915 -364000.0 -0.38 -0.6719 -0.9797 2129061 PK04_108282 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC3CCCCCC3)[C@@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O07 compound treatment 3865401.786 179000.0 0.19 3564801.37 -167000.0 -0.17 0.0147 0.0563 3071060 PK04_108283 O[C@@H](Cc1ccccc1)[C@H](NCc2ccccc2Br)/C=C/c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O08 compound treatment 3607718.062 -78300.0 -0.08 3436220.588 -296000.0 -0.31 -0.2774 -0.8698 2129067 PK04_108284 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccccc3F)[C@@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O09 compound treatment 3773531.25 87500.0 0.09 3414263.844 -318000.0 -0.33 -0.1664 -0.4843 3188797 PK04_108285 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC=C3CN2Cc4cccc(Cl)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O10 compound treatment 3581580.087 -104000.0 -0.11 3104017.182 -628000.0 -0.65 -0.5416 -0.8176 2129068 PK04_108286 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccc(F)cc3)[C@@H]2O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O11 mock treatment 3783679.104 97700.0 0.11 3596793.919 -135000.0 -0.14 -0.0245 -0.1391 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O12 mock treatment 4109352.679 423000.0 0.46 3345927.083 -386000.0 -0.4 0.0408 0.067 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O13 compound treatment 3987540.816 302000.0 0.33 3234955.631 -497000.0 -0.52 -0.1341 -0.2194 3188798 PK04_108287 COC1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c3ccccc3)[C@H](Cc4ccccc4)O1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O14 compound treatment 3760663.9 74700.0 0.08 3313229.452 -419000.0 -0.44 -0.2505 -0.5659 3071064 PK04_108288 CCCC(=O)N(CCc1c[nH]c2ccccc12)[C@@H]3CC(=C[C@H](Oc4c(I)cc(CO)cc4OC)[C@H]3O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O15 compound treatment 3781746.324 95700.0 0.1 3345087.5 -387000.0 -0.4 -0.2109 -0.5079 3188799 PK04_108289 CN1C(=O)C2C3[C@H]([C@@H](O)Cc4ccccc4)N(Cc5cccc(Cl)c5)CC3=CC(C6CC6)C2C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O16 compound treatment 4025163.424 339000.0 0.37 3342816.72 -389000.0 -0.4 -0.026 -0.0475 2133032 PK04_108290 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O17 compound treatment 3416933.333 -269000.0 -0.29 2991221.154 -741000.0 -0.77 -0.7507 -0.9118 3071066 PK04_108291 O[C@@H](Cc1ccccc1)[C@H](N(CC#C)CC2=CCCCC2)c3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O18 compound treatment 3860751.111 175000.0 0.19 3353332.298 -379000.0 -0.39 -0.1443 -0.3304 2133035 PK04_108292 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O19 compound treatment 4340250.0 654000.0 0.71 3064682.594 -667000.0 -0.69 0.0112 0.0112 3071068 PK04_108293 O=C(Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O20 compound treatment 4386891.213 701000.0 0.76 3301814.465 -430000.0 -0.45 0.2212 0.2509 2133267 PK04_108294 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O21 compound treatment 4935506.912 1250000.0 1.35 3516243.976 -216000.0 -0.22 0.7994 0.5821 3071112 PK04_108295 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4cccc(Cl)c4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O22 compound treatment 4483809.045 798000.0 0.87 3074056.426 -658000.0 -0.68 0.1281 0.1162 2133153 PK04_108296 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCOC4)C(=O)NCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O23 compound treatment 4352600.858 667000.0 0.72 3191867.692 -540000.0 -0.56 0.1141 0.1247 3188804 PK04_108297 Clc1cccc(CN2CC3=CCCC=CC3[C@@H]2[C@H](Cc4ccccc4)OC(=O)C=C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 O24 compound treatment 3452618.557 -233000.0 -0.25 2667321.678 -1060000.0 -1.11 -0.9614 -0.8469 2132929 PK04_108298 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P01 compound treatment 3164130.081 -522000.0 -0.57 2935865.385 -796000.0 -0.83 -0.9852 -0.9828 3188805 PK04_108299 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P02 compound treatment 3098636.364 -587000.0 -0.64 3378866.667 -353000.0 -0.37 -0.7099 -0.9657 3071118 PK04_108300 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P03 compound treatment 3273273.585 -413000.0 -0.45 3382789.286 -349000.0 -0.36 -0.5731 -0.9946 3188806 PK04_108301 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P04 compound treatment 3623975.248 -62000.0 -0.07 3405084.677 -327000.0 -0.34 -0.2878 -0.8309 3071120 PK04_108302 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P05 compound treatment 3596271.889 -89700.0 -0.1 3760158.491 28200.0 0.03 -0.0481 -0.4733 3188807 PK04_108303 COc1ccc(cc1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P06 compound treatment 4163363.248 477000.0 0.52 3791723.849 59700.0 0.06 0.4099 0.7863 3188808 PK04_108304 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P07 compound treatment 3450305.677 -236000.0 -0.26 3202779.528 -529000.0 -0.55 -0.5697 -0.9392 3071124 PK04_108305 COc1cccc(c1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P08 compound treatment 3311020.134 -375000.0 -0.41 3363061.372 -369000.0 -0.38 -0.5586 -0.9996 3188923 PK04_108306 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P09 compound treatment 3870267.206 184000.0 0.2 3650696.154 -81300.0 -0.08 0.0815 0.3759 3188924 PK04_108307 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(Br)cc5)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P10 compound treatment 2803590.226 -882000.0 -0.96 3157789.272 -574000.0 -0.6 -1.0986 -0.9742 3071127 PK04_108308 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P11 mock treatment 3958673.267 273000.0 0.3 3831989.547 100000.0 0.1 0.2826 0.9016 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P12 mock treatment 3183756.863 -502000.0 -0.54 3085939.85 -646000.0 -0.67 -0.8599 -0.9946 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P13 compound treatment 3248333.333 -438000.0 -0.47 3143875.0 -588000.0 -0.61 -0.7678 -0.9922 3188925 PK04_108309 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(N)cc5)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P14 compound treatment 2895822.148 -790000.0 -0.86 3095978.495 -636000.0 -0.66 -1.0733 -0.9918 3071425 PK04_108310 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P15 compound treatment 3498943.548 -187000.0 -0.2 3267250.0 -465000.0 -0.48 -0.485 -0.9257 3188926 PK04_108311 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(nc5)C(F)(F)F)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P16 compound treatment 3234705.674 -451000.0 -0.49 3008534.799 -723000.0 -0.75 -0.8777 -0.9783 3215868 PK04_108312 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P17 compound treatment 2924768.025 -761000.0 -0.83 3046569.231 -685000.0 -0.71 -1.0874 -0.9973 3188927 PK04_108313 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)F)C(=O)N(C)c3ccccc32 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P18 compound treatment 2664635.739 -1020000.0 -1.11 2895854.093 -836000.0 -0.87 -1.3976 -0.9928 3215866 PK04_108314 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P19 compound treatment 3486692.913 -199000.0 -0.22 3293780.069 -438000.0 -0.46 -0.4749 -0.942 3071435 PK04_108315 COC(=O)C[C@H]1O[C@@]2(C[C@@H]1[Si](C)(C)C)C(=O)N(C)c3ccccc32 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P20 compound treatment 2912058.632 -774000.0 -0.84 3445322.684 -287000.0 -0.3 -0.8041 -0.9029 3071437 PK04_108316 OB1OC(CCc2ccccc2)CC=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P21 compound treatment 2929391.156 -757000.0 -0.82 2800464.072 -932000.0 -0.97 -1.2647 -0.9966 3188929 PK04_108317 COC(=O)C/C=C/C[C@]1(O)C(=O)N(C)c2ccccc21 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P22 compound treatment 2689569.182 -996000.0 -1.08 2525526.144 -1210000.0 -1.25 -1.6507 -0.9972 3071483 PK04_108318 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P23 compound treatment 3599214.876 -86800.0 -0.09 2818589.577 -913000.0 -0.95 -0.7379 -0.7734 3188930 PK04_108319 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO[Si](C(C)C)(C(C)C)C(C)C)nn2)/C=C/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2108 P24 compound treatment 3658033.755 -28000.0 -0.03 2684385.593 -1050000.0 -1.09 -0.7914 -0.7265 3071486 PK04_108320 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A01 compound treatment 3029731.278 -538000.0 -0.58 3050863.636 -1080000.0 -1.12 -1.2029 -0.954 3221174 PK04_130001 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A02 compound treatment 3551328.829 -16400.0 -0.02 4189612.15 63300.0 0.07 0.0339 0.4978 3211805 PK04_130002 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A03 compound treatment 3941535.714 374000.0 0.41 4141025.907 14700.0 0.02 0.2974 0.7333 3221177 PK04_130003 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCc4ccccc4F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A04 compound treatment 3716467.593 149000.0 0.16 4309373.206 183000.0 0.19 0.2486 0.9966 3080218 PK04_130004 OCCC[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A05 compound treatment 3420503.906 -147000.0 -0.16 4247350.877 121000.0 0.13 -0.0239 -0.1177 3221180 PK04_130005 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccc(O)cc2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A06 compound treatment 3426652.778 -141000.0 -0.15 4256784.615 130000.0 0.14 -0.0123 -0.0601 3211801 PK04_130006 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A07 compound treatment 3101243.902 -467000.0 -0.51 4249413.793 123000.0 0.13 -0.2672 -0.5121 3221183 PK04_130007 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2O)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A08 compound treatment 3155109.489 -413000.0 -0.45 3463294.776 -663000.0 -0.69 -0.8037 -0.9781 3080220 PK04_130008 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A09 compound treatment 2935149.66 -633000.0 -0.69 3718886.64 -407000.0 -0.42 -0.7845 -0.9731 3221185 PK04_130009 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccc(O)cc2)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A10 compound treatment 3161341.085 -406000.0 -0.44 3694236.842 -432000.0 -0.45 -0.6292 -1.0 3080222 PK04_130010 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A11 compound treatment 3131545.455 -436000.0 -0.47 3500611.399 -626000.0 -0.65 -0.7943 -0.9878 3221188 PK04_130011 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccc(Cl)cc2)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A12 compound treatment 3763610.329 196000.0 0.21 3582080.46 -544000.0 -0.57 -0.2498 -0.4135 3211814 PK04_130012 C[C@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A13 mock treatment 3832739.583 265000.0 0.29 4095693.966 -30600.0 -0.03 0.1807 0.625 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A14 mock treatment 3934758.621 367000.0 0.4 4462876.923 337000.0 0.35 0.5287 0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A15 compound treatment 3492995.951 -74800.0 -0.08 3743495.69 -383000.0 -0.4 -0.3387 -0.834 3221191 PK04_130013 OCCCCCCNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A16 compound treatment 3530799.065 -37000.0 -0.04 3599658.163 -527000.0 -0.55 -0.4154 -0.7568 3080206 PK04_130014 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A17 compound treatment 3492947.368 -74800.0 -0.08 3905516.908 -221000.0 -0.23 -0.2196 -0.9023 3221194 PK04_130015 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A18 compound treatment 3094872.093 -473000.0 -0.51 3736740.909 -390000.0 -0.4 -0.6489 -0.9932 3211690 PK04_130016 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A19 compound treatment 3174491.87 -393000.0 -0.43 3615568.548 -511000.0 -0.53 -0.6769 -0.9941 3221197 PK04_130017 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2F)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A20 compound treatment 3386724.444 -181000.0 -0.2 3712878.641 -413000.0 -0.43 -0.4427 -0.937 3189020 PK04_130018 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A21 compound treatment 2774931.655 -793000.0 -0.86 2833270.175 -1290000.0 -1.34 -1.5582 -0.9767 2019329 PK04_130019 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCCCCCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A22 compound treatment 2737820.069 -830000.0 -0.9 3052925.62 -1070000.0 -1.12 -1.4252 -0.9943 3080190 PK04_130020 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A23 compound treatment 2520198.473 -1050000.0 -1.14 2647796.296 -1480000.0 -1.54 -1.8898 -0.9889 3221200 PK04_130021 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCCCC2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 A24 compound treatment 2543616.858 -1020000.0 -1.11 2818972.868 -1310000.0 -1.36 -1.7461 -0.995 3211695 PK04_130022 CO[C@@H](CCO)[C@@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B01 compound treatment 2284046.729 -1280000.0 -1.39 1935017.391 -2190000.0 -2.28 -2.5948 -0.9721 3176327 PK04_130023 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B02 compound treatment 4010553.299 443000.0 0.48 4949384.211 823000.0 0.86 0.9444 0.9627 3221203 PK04_130024 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B03 compound treatment 4457543.21 890000.0 0.96 4961216.59 835000.0 0.87 1.2958 0.9986 3052745 PK04_130025 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B04 compound treatment 4088919.431 521000.0 0.57 4574633.663 448000.0 0.47 0.7291 0.9954 3221205 PK04_130026 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B05 compound treatment 3734953.39 167000.0 0.18 3647596.078 -479000.0 -0.5 -0.2237 -0.4223 3176512 PK04_130027 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B06 compound treatment 4052423.963 485000.0 0.53 4818299.492 692000.0 0.72 0.8802 0.9881 3221207 PK04_130028 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(C)c3ccccc32)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B07 compound treatment 3957358.407 390000.0 0.42 3814812.5 -311000.0 -0.32 0.0698 0.1311 3176123 PK04_130029 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B08 compound treatment 4100369.65 533000.0 0.58 4614324.873 488000.0 0.51 0.767 0.9979 3221209 PK04_130030 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B09 compound treatment 4412612.648 845000.0 0.92 4951755.102 825000.0 0.86 1.2544 0.9995 3052645 PK04_130031 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B10 compound treatment 3883970.588 316000.0 0.34 4152761.062 26500.0 0.03 0.2619 0.7614 3221211 PK04_130032 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B11 compound treatment 4120889.344 553000.0 0.6 5213712.121 1090000.0 1.13 1.2233 0.9561 3052831 PK04_130033 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B12 compound treatment 3871527.027 304000.0 0.33 4309639.594 183000.0 0.19 0.3676 0.9662 3221213 PK04_130034 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B13 mock treatment 4219168.317 651000.0 0.71 4599796.38 473000.0 0.49 0.8474 0.9844 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B14 mock treatment 3959907.834 392000.0 0.43 4547886.139 422000.0 0.44 0.6105 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B15 compound treatment 3609739.927 42000.0 0.05 3948036.585 -178000.0 -0.19 -0.0988 -0.518 3176778 PK04_130035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B16 compound treatment 3746422.414 179000.0 0.19 4219246.809 92900.0 0.1 0.2053 0.9483 3221214 PK04_130036 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccccc32)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B17 compound treatment 4035572.687 468000.0 0.51 4446832.487 321000.0 0.33 0.5942 0.9792 3176195 PK04_130037 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B18 compound treatment 3570092.308 2340.0 0.0 3855058.594 -271000.0 -0.28 -0.1976 -0.7007 3221216 PK04_130038 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(CC=C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B19 compound treatment 3568534.884 781.0 0.0 3998365.741 -128000.0 -0.13 -0.0934 -0.7026 3052584 PK04_130039 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B20 compound treatment 3325483.193 -242000.0 -0.26 3598305.147 -528000.0 -0.55 -0.5738 -0.9431 3221218 PK04_130040 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B21 compound treatment 2961721.925 -606000.0 -0.66 3457921.659 -668000.0 -0.69 -0.9559 -0.9996 3176736 PK04_130041 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B22 compound treatment 3111527.778 -456000.0 -0.49 3392990.132 -733000.0 -0.76 -0.8888 -0.9781 3221220 PK04_130042 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(C)c3c2cc(C)cc3Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B23 compound treatment 2940892.019 -627000.0 -0.68 3347107.345 -779000.0 -0.81 -1.0533 -0.9962 3052927 PK04_130043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 B24 compound treatment 2935853.175 -632000.0 -0.69 3620225.941 -506000.0 -0.53 -0.8564 -0.9915 3221222 PK04_130044 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C01 compound treatment 3070828.025 -497000.0 -0.54 3531863.309 -594000.0 -0.62 -0.8179 -0.9977 3221224 PK04_130045 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(Cl)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C02 compound treatment 3442886.598 -125000.0 -0.14 3648866.31 -477000.0 -0.5 -0.4466 -0.8683 3211914 PK04_130046 COc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C03 compound treatment 3973778.723 406000.0 0.44 4619633.745 493000.0 0.51 0.6739 0.9971 3221227 PK04_130047 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C04 compound treatment 3784254.032 216000.0 0.23 4797064.22 671000.0 0.7 0.659 0.8958 3211809 PK04_130048 CSc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C05 compound treatment 3726912.879 159000.0 0.17 4990995.146 865000.0 0.9 0.7575 0.8278 2019446 PK04_130049 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C06 compound treatment 3671379.913 104000.0 0.11 4591537.037 465000.0 0.48 0.4214 0.8488 3069417 PK04_130050 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C07 compound treatment 3394820.717 -173000.0 -0.19 4293688.119 167000.0 0.17 -0.0096 -0.0374 3221230 PK04_130051 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccc(O)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C08 compound treatment 3331526.515 -236000.0 -0.26 4093706.612 -32600.0 -0.03 -0.2051 -0.7937 3080227 PK04_130052 CSc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C09 compound treatment 3275386.179 -292000.0 -0.32 3866565.217 -260000.0 -0.27 -0.4151 -0.9968 3221232 PK04_130053 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C10 compound treatment 3875385.787 308000.0 0.33 4358748.634 232000.0 0.24 0.4067 0.9875 3080226 PK04_130054 COc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C11 mock treatment 4208384.615 641000.0 0.69 4446478.723 320000.0 0.33 0.7265 0.9432 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C12 mock treatment 3963656.78 396000.0 0.43 4576703.883 450000.0 0.47 0.6346 0.9991 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C13 compound treatment 3795082.192 227000.0 0.25 4451062.762 325000.0 0.34 0.413 0.9881 3221235 PK04_130055 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCCCCCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C14 compound treatment 4215585.106 648000.0 0.7 4303692.308 177000.0 0.18 0.6271 0.8635 3080272 PK04_130056 OCCC[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C15 mock treatment 3610231.76 42500.0 0.05 4328980.198 203000.0 0.21 0.1815 0.8418 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C16 mock treatment 3851755.102 284000.0 0.31 4031729.73 -94600.0 -0.1 0.1482 0.4586 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C17 compound treatment 3643359.447 75600.0 0.08 4398712.766 272000.0 0.28 0.2582 0.8759 3221238 PK04_130057 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccc(O)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C18 compound treatment 3676601.77 109000.0 0.12 3795825.0 -330000.0 -0.34 -0.1594 -0.439 3080228 PK04_130058 OCCC[C@@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C19 compound treatment 3666518.182 98800.0 0.11 3946838.863 -179000.0 -0.19 -0.0562 -0.2612 2019457 PK04_130059 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C20 compound treatment 3974229.665 406000.0 0.44 3757620.536 -369000.0 -0.38 0.0407 0.0696 3080205 PK04_130060 OCCC[C@@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C21 compound treatment 3088164.659 -480000.0 -0.52 3600662.1 -526000.0 -0.55 -0.754 -0.9997 3221241 PK04_130061 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c4cccs4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C22 compound treatment 3338469.767 -229000.0 -0.25 3343813.953 -782000.0 -0.81 -0.7509 -0.8829 3211908 PK04_130062 COc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C23 compound treatment 3029920.635 -538000.0 -0.58 3336044.898 -790000.0 -0.82 -0.9932 -0.9859 2019323 PK04_130063 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 C24 compound treatment 2723871.111 -844000.0 -0.91 3158538.813 -968000.0 -1.01 -1.3583 -0.9989 3211812 PK04_130064 C[C@@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D01 compound treatment 2854485.477 -713000.0 -0.77 4048479.263 -77800.0 -0.08 -0.6041 -0.7768 3175965 PK04_130065 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D02 compound treatment 3262028.708 -306000.0 -0.33 3631410.0 -495000.0 -0.51 -0.5981 -0.9774 3221243 PK04_130066 COc1cc2c3N(C(=O)[C@@]42O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)C(C)(C)C=C(C)c3c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D03 compound treatment 3726800.885 159000.0 0.17 4483881.857 358000.0 0.37 0.3847 0.939 3176379 PK04_130067 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D04 compound treatment 3820308.017 253000.0 0.27 4739602.094 613000.0 0.64 0.6444 0.9288 3221245 PK04_130068 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(C)c3ccccc32)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D05 compound treatment 4268071.429 700000.0 0.76 2660122.977 -1470000.0 -1.52 -0.5407 -0.3176 3052839 PK04_130069 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D06 compound treatment 3922372.642 355000.0 0.38 4326623.188 200000.0 0.21 0.4191 0.9585 3221246 PK04_130070 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(C)c5c4cc(C)cc5Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D07 compound treatment 3451202.586 -117000.0 -0.13 3171964.706 -954000.0 -0.99 -0.7908 -0.7908 3176048 PK04_130071 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D08 compound treatment 3573582.609 5830.0 0.01 4358880.383 233000.0 0.24 0.1754 0.7253 3221248 PK04_130072 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D09 compound treatment 3563740.088 -4010.0 0.0 4256370.518 130000.0 0.14 0.0925 0.684 3175970 PK04_130073 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D10 compound treatment 3912637.555 345000.0 0.37 4931368.421 805000.0 0.84 0.8561 0.9341 3221250 PK04_130074 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D11 mock treatment 3816271.889 249000.0 0.27 4746543.478 620000.0 0.64 0.6464 0.9251 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D12 mock treatment 3963619.048 396000.0 0.43 4131834.783 5530.0 0.01 0.3076 0.7165 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D13 compound treatment 3507822.464 -59900.0 -0.06 4285288.372 159000.0 0.17 0.0709 0.3993 3176675 PK04_130075 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D14 compound treatment 3738559.809 171000.0 0.19 4154034.043 27700.0 0.03 0.1513 0.8074 3221251 PK04_130076 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D15 mock treatment 3588434.978 20700.0 0.02 4266661.972 140000.0 0.15 0.119 0.8063 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D16 mock treatment 3192812.5 -375000.0 -0.41 3975976.744 -150000.0 -0.16 -0.398 -0.9137 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D17 compound treatment 3437910.596 -130000.0 -0.14 3752929.204 -373000.0 -0.39 -0.374 -0.9059 3052531 PK04_130077 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D18 compound treatment 4028294.643 461000.0 0.5 3607494.208 -519000.0 -0.54 -0.0282 -0.0384 3221253 PK04_130078 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D19 compound treatment 2822307.143 -745000.0 -0.81 3938586.957 -188000.0 -0.2 -0.7095 -0.8533 3052793 PK04_130079 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D20 compound treatment 3391273.092 -176000.0 -0.19 3642417.431 -484000.0 -0.5 -0.491 -0.9123 3221255 PK04_130080 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D21 compound treatment 3348337.449 -219000.0 -0.24 3263390.041 -863000.0 -0.9 -0.8025 -0.8648 3052828 PK04_130081 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D22 compound treatment 3191070.796 -377000.0 -0.41 3715426.606 -411000.0 -0.43 -0.5908 -0.9998 3221256 PK04_130082 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D23 compound treatment 3132326.18 -435000.0 -0.47 2931867.925 -1190000.0 -1.24 -1.2117 -0.9123 3052592 PK04_130083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 D24 compound treatment 2498245.69 -1070000.0 -1.16 2808582.09 -1320000.0 -1.37 -1.7885 -0.9966 3221257 PK04_130084 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(C)c3c2cc(C)cc3Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E01 mock treatment 3759591.111 192000.0 0.21 4277179.487 151000.0 0.16 0.258 0.9903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E02 mock treatment 4299455.939 732000.0 0.79 4999156.098 873000.0 0.91 1.2025 0.9978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E03 compound treatment 3669338.182 102000.0 0.11 4590165.094 464000.0 0.48 0.4188 0.8468 2019322 PK04_130085 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E04 compound treatment 4279301.435 712000.0 0.77 4754123.656 628000.0 0.65 1.007 0.9965 3080210 PK04_130086 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E05 compound treatment 4420565.217 853000.0 0.92 5103012.766 977000.0 1.02 1.3717 0.9989 3221259 PK04_130087 OCCCCCCNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E06 compound treatment 4182737.557 615000.0 0.67 5015863.071 890000.0 0.92 1.1253 0.9871 3211802 PK04_130088 OCCC[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E07 compound treatment 4194106.838 626000.0 0.68 4615264.822 489000.0 0.51 0.8396 0.9898 3221261 PK04_130089 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCc4ccc(Cl)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E08 compound treatment 3698789.238 131000.0 0.14 4743345.133 617000.0 0.64 0.554 0.8433 3080219 PK04_130090 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E09 mock treatment 3697602.51 130000.0 0.14 5021989.418 896000.0 0.93 0.7579 0.8049 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E10 mock treatment 3916111.111 348000.0 0.38 4870475.983 744000.0 0.77 0.814 0.9457 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E11 compound treatment 4041092.437 473000.0 0.51 4649423.387 523000.0 0.54 0.7474 0.9996 3221264 PK04_130091 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cc(=O)n(c3ccccc3)n2C)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E12 compound treatment 4206862.832 639000.0 0.69 4813715.517 687000.0 0.71 0.9952 0.9999 3069920 PK04_130092 O[C@@H](CC=C)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E13 compound treatment 4050302.92 483000.0 0.52 4761062.5 635000.0 0.66 0.8365 0.9934 3221266 PK04_130093 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccccc4N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E14 compound treatment 4147004.367 579000.0 0.63 4964481.481 838000.0 0.87 1.0601 0.9871 3211678 PK04_130094 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E15 compound treatment 4019953.488 452000.0 0.49 4876209.877 750000.0 0.78 0.8979 0.975 3221269 PK04_130095 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N4CCOCCOCCOCCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E16 compound treatment 3056848.276 -511000.0 -0.55 3621142.857 -505000.0 -0.53 -0.763 -0.9996 3211906 PK04_130096 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E17 mock treatment 3504584.158 -63200.0 -0.07 4941473.43 815000.0 0.85 0.5507 0.6478 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E18 mock treatment 3809197.425 241000.0 0.26 4635563.025 509000.0 0.53 0.5594 0.9473 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E19 compound treatment 3392476.415 -175000.0 -0.19 4583160.377 457000.0 0.47 0.2014 0.3937 2019458 PK04_130097 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2O)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E20 compound treatment 3681231.939 113000.0 0.12 4446184.549 320000.0 0.33 0.3221 0.9086 3211804 PK04_130098 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E21 compound treatment 3501380.952 -66400.0 -0.07 4155289.256 29000.0 0.03 -0.0296 -0.3793 3221271 PK04_130099 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2F)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E22 compound treatment 3866085.586 298000.0 0.32 4435227.053 309000.0 0.32 0.4558 1.0 3211680 PK04_130100 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E23 compound treatment 3325954.357 -242000.0 -0.26 3860535.714 -266000.0 -0.28 -0.3807 -0.9997 2019464 PK04_130101 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCCCC2)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 E24 compound treatment 2790061.728 -778000.0 -0.84 2987080.0 -1140000.0 -1.18 -1.4336 -0.9862 3211909 PK04_130102 CSc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F01 mock treatment 3919674.208 352000.0 0.38 4791747.368 665000.0 0.69 0.7589 0.9607 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F02 mock treatment 4562580.645 995000.0 1.08 5142329.787 1020000.0 1.06 1.5095 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F03 compound treatment 4415986.486 848000.0 0.92 5083016.461 957000.0 0.99 1.3535 0.9992 3176785 PK04_130103 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F04 compound treatment 4171044.444 603000.0 0.65 4564384.615 438000.0 0.46 0.7845 0.9843 3221273 PK04_130104 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(C)c5c4cc(C)cc5Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F05 compound treatment 4024634.146 457000.0 0.5 3763097.643 -363000.0 -0.38 0.0833 0.1338 3176500 PK04_130105 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F06 compound treatment 4637589.623 1070000.0 1.16 5217004.785 1090000.0 1.13 1.6219 0.9999 3221274 PK04_130106 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(CC=C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F07 compound treatment 1196473.214 -2370000.0 -2.57 2384436.364 -1740000.0 -1.81 -3.0983 -0.9853 3052886 PK04_130107 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F08 compound treatment 3824509.579 257000.0 0.28 4391650.794 265000.0 0.28 0.3919 1.0 3221275 PK04_130108 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(c3ccccc32)c4ccccc4)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F09 mock treatment 4429782.427 862000.0 0.93 5282197.917 1160000.0 1.2 1.5105 0.9923 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F10 mock treatment 4109268.657 542000.0 0.59 5248584.541 1120000.0 1.17 1.24 0.9495 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F11 compound treatment 3844129.151 276000.0 0.3 4733334.545 607000.0 0.63 0.658 0.9421 3052654 PK04_130109 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F12 compound treatment 3810376.518 243000.0 0.26 4393498.168 267000.0 0.28 0.3824 0.9996 3221277 PK04_130110 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F13 compound treatment 3714760.943 147000.0 0.16 4445916.981 320000.0 0.33 0.3476 0.9434 3052647 PK04_130111 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F14 compound treatment 3641700.704 73900.0 0.08 4392486.381 266000.0 0.28 0.2523 0.876 3221279 PK04_130112 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F15 compound treatment 3852313.008 285000.0 0.31 4410045.614 284000.0 0.29 0.4267 0.9997 3176113 PK04_130113 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F16 compound treatment 3486988.235 -80800.0 -0.09 4444857.143 319000.0 0.33 0.1722 0.5028 3221280 PK04_130114 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(CC=C)c5ccccc54)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F17 mock treatment 3318827.586 -249000.0 -0.27 4311972.973 186000.0 0.19 -0.0544 -0.1639 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F18 mock treatment 3533745.52 -34000.0 -0.04 4463762.5 337000.0 0.35 0.2219 0.6293 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F19 compound treatment 3645932.773 78200.0 0.08 4111795.053 -14500.0 -0.02 0.0493 0.5723 3052888 PK04_130115 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F20 compound treatment 2922886.207 -645000.0 -0.7 3992321.888 -134000.0 -0.14 -0.5929 -0.8316 3221282 PK04_130116 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(c3ccccc32)c4ccccc4)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F21 compound treatment 3978869.955 411000.0 0.45 4444874.396 319000.0 0.33 0.5493 0.9893 3176499 PK04_130117 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F22 compound treatment 2874211.679 -694000.0 -0.75 3775474.79 -351000.0 -0.36 -0.7896 -0.9448 3221283 PK04_130118 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F23 compound treatment 3412833.977 -155000.0 -0.17 2630351.906 -1500000.0 -1.55 -1.2183 -0.779 3175968 PK04_130119 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 F24 compound treatment 2918004.237 -650000.0 -0.7 3878202.532 -248000.0 -0.26 -0.6805 -0.9071 3221284 PK04_130120 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G01 compound treatment 3902235.0 334000.0 0.36 4268257.31 142000.0 0.15 0.3608 0.9214 2019328 PK04_130121 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCOCCOCCOCCOCC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G02 compound treatment 3082551.724 -485000.0 -0.53 3222753.333 -904000.0 -0.94 -1.0361 -0.9625 3211907 PK04_130122 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G03 mock treatment 3835284.553 268000.0 0.29 4390018.1 264000.0 0.27 0.3989 0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G04 mock treatment 3945074.349 377000.0 0.41 4558248.705 432000.0 0.45 0.6068 0.9989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G05 compound treatment 4516882.353 949000.0 1.03 4573688.0 447000.0 0.47 1.0565 0.9355 3221285 PK04_130123 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCCCCCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G06 compound treatment 4047238.095 479000.0 0.52 4957892.157 832000.0 0.86 0.9788 0.9704 3211815 PK04_130124 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G07 compound treatment 3460362.745 -107000.0 -0.12 4162046.809 35700.0 0.04 -0.0561 -0.4588 3221287 PK04_130125 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G08 compound treatment 3334311.321 -233000.0 -0.25 4902797.101 776000.0 0.81 0.3917 0.4631 3211803 PK04_130126 CSc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G09 compound treatment 3572250.0 4500.0 0.0 4881512.195 755000.0 0.78 0.5585 0.7115 3221289 PK04_130127 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N4CCCCCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G10 compound treatment 4052601.81 485000.0 0.53 4718279.661 592000.0 0.62 0.8068 0.9969 3211807 PK04_130128 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G11 compound treatment 3475079.137 -92700.0 -0.1 4029876.068 -96400.0 -0.1 -0.1419 -1.0 2019311 PK04_130129 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc(cc2)C(=O)OC)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G12 compound treatment 3310068.966 -258000.0 -0.28 3576418.75 -550000.0 -0.57 -0.6017 -0.9458 3211818 PK04_130130 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G13 compound treatment 3744757.042 177000.0 0.19 4368902.778 243000.0 0.25 0.314 0.9909 3221292 PK04_130131 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccccc4O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G14 compound treatment 3602281.481 34500.0 0.04 4188087.452 61800.0 0.06 0.0719 0.967 3080207 PK04_130132 OCCC[C@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G15 compound treatment 3728079.545 160000.0 0.17 4089900.709 -36400.0 -0.04 0.0962 0.5405 2019470 PK04_130133 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2coc3ccccc3c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G16 compound treatment 3275352.941 -292000.0 -0.32 3886003.636 -240000.0 -0.25 -0.4008 -0.993 3080225 PK04_130134 COc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G17 compound treatment 3673243.446 105000.0 0.11 4494520.833 368000.0 0.38 0.3515 0.88 3221294 PK04_130135 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c4coc5ccccc5c4=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G18 compound treatment 3519194.444 -48600.0 -0.05 4666350.23 540000.0 0.56 0.3597 0.638 3211806 PK04_130136 CO[C@@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G19 mock treatment 3459992.565 -108000.0 -0.12 4282720.307 156000.0 0.16 0.0323 0.1615 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G20 mock treatment 3446026.217 -122000.0 -0.13 4424045.627 298000.0 0.31 0.1255 0.373 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G21 compound treatment 3180393.103 -387000.0 -0.42 4604589.041 478000.0 0.5 0.0545 0.0838 2019463 PK04_130137 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)c3coc4ccccc4c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G22 compound treatment 3000259.494 -567000.0 -0.62 3464819.767 -661000.0 -0.69 -0.9213 -0.9985 3080280 PK04_130138 COc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G23 compound treatment 2866275.862 -701000.0 -0.76 4115590.909 -10700.0 -0.01 -0.5457 -0.7174 3221297 PK04_130139 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 G24 compound treatment 2877995.918 -690000.0 -0.75 3347787.234 -779000.0 -0.81 -1.101 -0.9992 3211912 PK04_130140 C[C@H](CCO)[C@@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H01 compound treatment 3929078.512 361000.0 0.39 4724270.0 598000.0 0.62 0.7165 0.9752 3052931 PK04_130141 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H02 compound treatment 4338146.552 770000.0 0.84 5534636.792 1410000.0 1.46 1.6257 0.9646 3221300 PK04_130142 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H03 mock treatment 4626986.047 1060000.0 1.15 5230461.14 1100000.0 1.15 1.6236 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H04 mock treatment 4438471.111 871000.0 0.94 4999055.838 873000.0 0.91 1.309 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H05 compound treatment 1591550.0 -1980000.0 -2.14 2619424.837 -1510000.0 -1.57 -2.6227 -0.9881 3176330 PK04_130143 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H06 compound treatment 4095888.325 528000.0 0.57 4670675.0 544000.0 0.57 0.805 1.0 3221301 PK04_130144 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H07 compound treatment 4108819.905 541000.0 0.59 4011926.471 -114000.0 -0.12 0.3308 0.5526 3176685 PK04_130145 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H08 compound treatment 4017362.595 450000.0 0.49 4946752.137 820000.0 0.85 0.9477 0.9648 3221302 PK04_130146 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H09 compound treatment 3946254.826 379000.0 0.41 4598443.966 472000.0 0.49 0.6372 0.996 3052879 PK04_130147 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H10 compound treatment 3796283.333 229000.0 0.25 4651542.601 525000.0 0.55 0.5612 0.9361 3221303 PK04_130148 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H11 compound treatment 4034581.395 467000.0 0.51 4715560.538 589000.0 0.61 0.791 0.9955 3176775 PK04_130149 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H12 compound treatment 2917501.961 -650000.0 -0.71 3721180.392 -405000.0 -0.42 -0.7963 -0.9697 3221305 PK04_130150 COc1cc2c3N(C(=O)[C@]42O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)O)C(C)(C)C=C(C)c3c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H13 compound treatment 3432259.516 -135000.0 -0.15 4326579.399 200000.0 0.21 0.0433 0.17 3052783 PK04_130151 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H14 compound treatment 2957337.209 -610000.0 -0.66 3507531.056 -619000.0 -0.64 -0.9228 -0.9999 3221307 PK04_130152 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(CC=C)c5ccccc54)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H15 compound treatment 3350781.046 -217000.0 -0.24 4208239.344 81900.0 0.09 -0.1061 -0.4242 3176626 PK04_130153 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H16 compound treatment 3484247.012 -83500.0 -0.09 4001697.318 -125000.0 -0.13 -0.1556 -0.9847 3221308 PK04_130154 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccccc32)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H17 compound treatment 3456773.381 -111000.0 -0.12 4383841.155 258000.0 0.27 0.1042 0.355 3176501 PK04_130155 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H18 compound treatment 3339303.754 -228000.0 -0.25 3897141.593 -229000.0 -0.24 -0.3436 -0.9998 3221309 PK04_130156 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H19 mock treatment 3335718.75 -232000.0 -0.25 3958469.298 -168000.0 -0.17 -0.3013 -0.984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H20 mock treatment 3234675.0 -333000.0 -0.36 3814583.333 -312000.0 -0.32 -0.4845 -0.9985 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H21 compound treatment 958444.4444 -2610000.0 -2.83 984200.0 -3140000.0 -3.27 -4.3099 -0.9974 3052741 PK04_130157 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H22 compound treatment 2789091.286 -779000.0 -0.84 3263865.613 -862000.0 -0.9 -1.2309 -0.9996 3221310 PK04_130158 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H23 compound treatment 3434772.321 -133000.0 -0.14 4754471.204 628000.0 0.65 0.3597 0.538 3176203 PK04_130159 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 H24 compound treatment 3281125.49 -287000.0 -0.31 3743676.991 -383000.0 -0.4 -0.501 -0.9926 3221312 PK04_130160 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I01 compound treatment 3186232.558 -382000.0 -0.41 3963641.975 -163000.0 -0.17 -0.4121 -0.9221 3221313 PK04_130161 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccc(Cl)cc2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I02 compound treatment 3768423.581 201000.0 0.22 4233477.477 107000.0 0.11 0.2326 0.9517 3080209 PK04_130162 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I03 compound treatment 3548210.526 -19500.0 -0.02 4151616.114 25300.0 0.03 0.0036 0.107 3221314 PK04_130163 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I04 compound treatment 3597534.783 29800.0 0.03 4432665.236 306000.0 0.32 0.248 0.7748 3069956 PK04_130164 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I05 mock treatment 3616445.415 48700.0 0.05 4568137.405 442000.0 0.46 0.3621 0.7832 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I06 mock treatment 3584154.122 16400.0 0.02 4904506.608 778000.0 0.81 0.5845 0.7225 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I07 compound treatment 3675972.414 108000.0 0.12 4691858.736 566000.0 0.59 0.4986 0.8318 3221316 PK04_130165 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I08 compound treatment 3549168.75 -18600.0 -0.02 4201373.391 75100.0 0.08 0.0409 0.5078 3211693 PK04_130166 CO[C@H](CCO)[C@H](O)c1ccc(O)c(F)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I09 compound treatment 3069303.279 -498000.0 -0.54 4033282.258 -93000.0 -0.1 -0.4505 -0.8206 2019335 PK04_130167 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I10 compound treatment 3145170.635 -423000.0 -0.46 3626995.238 -499000.0 -0.52 -0.691 -0.9981 3080278 PK04_130168 CSc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I11 compound treatment 3227088.561 -341000.0 -0.37 4012528.169 -114000.0 -0.12 -0.3448 -0.889 3221318 PK04_130169 COc1cc2c[n+](Cc3cc4OCOc4cc3Br)ccc2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I12 compound treatment 3066606.383 -501000.0 -0.54 3721607.692 -405000.0 -0.42 -0.6817 -0.992 3211911 PK04_130170 COc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I13 compound treatment 3163109.848 -405000.0 -0.44 4027468.864 -98800.0 -0.1 -0.3829 -0.8497 3221319 PK04_130171 COc1cc2c[n+](Cc3sc4ccccc4c3Cl)ccc2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I14 compound treatment 3185986.622 -382000.0 -0.41 3752760.456 -374000.0 -0.39 -0.5672 -0.9995 3080208 PK04_130172 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I15 compound treatment 3163393.22 -404000.0 -0.44 3953283.088 -173000.0 -0.18 -0.4372 -0.9226 3221320 PK04_130173 COc1cc2c[n+](Cc3ccc(o3)[N+](=O)[O-])ccc2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I16 compound treatment 3283739.623 -284000.0 -0.31 3691812.057 -434000.0 -0.45 -0.5371 -0.9826 3080223 PK04_130174 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I17 compound treatment 3366728.395 -201000.0 -0.22 4024340.502 -102000.0 -0.11 -0.2291 -0.9451 3221321 PK04_130175 COc1cc2c[n+](Cc3cccc(OC(F)(F)F)c3)ccc2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I18 compound treatment 2699563.492 -868000.0 -0.94 2651580.0 -1470000.0 -1.53 -1.7495 -0.9726 3080282 PK04_130176 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I19 compound treatment 3301025.641 -267000.0 -0.29 4007669.528 -119000.0 -0.12 -0.2917 -0.9278 3221322 PK04_130177 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3cccs3)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I20 compound treatment 3222705.645 -345000.0 -0.37 3337663.3 -789000.0 -0.82 -0.8442 -0.9369 3211594 PK04_130178 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I21 mock treatment 3384437.276 -183000.0 -0.2 3693605.96 -433000.0 -0.45 -0.4586 -0.9326 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I22 mock treatment 3108923.358 -459000.0 -0.5 3794000.0 -332000.0 -0.35 -0.596 -0.9841 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I23 compound treatment 3159289.72 -408000.0 -0.44 3597313.131 -529000.0 -0.55 -0.702 -0.9942 3221324 PK04_130179 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4cccs4)CCCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 I24 compound treatment 2931125.0 -637000.0 -0.69 3408177.419 -718000.0 -0.75 -1.0159 -0.9992 3211811 PK04_130180 CSc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J01 compound treatment 3697819.512 130000.0 0.14 4602965.347 477000.0 0.5 0.4501 0.8737 3176788 PK04_130181 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J02 compound treatment 3653704.082 85900.0 0.09 5152838.095 1030000.0 1.07 0.8204 0.766 3221326 PK04_130182 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCOC5=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J03 compound treatment 4384019.139 816000.0 0.89 5400184.466 1270000.0 1.32 1.5621 0.9808 3176789 PK04_130183 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J04 compound treatment 4374870.536 807000.0 0.88 4978549.356 852000.0 0.89 1.2452 1.0 3221328 PK04_130184 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N(C=O)c4ccccc4)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J05 mock treatment 4400717.314 833000.0 0.9 5369022.222 1240000.0 1.29 1.552 0.9847 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J06 mock treatment 3975173.729 407000.0 0.44 5112244.98 986000.0 1.02 1.037 0.9293 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J07 compound treatment 3986853.881 419000.0 0.45 3859265.455 -267000.0 -0.28 0.125 0.2348 3052827 PK04_130185 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J08 compound treatment 2874478.764 -693000.0 -0.75 3902995.074 -223000.0 -0.23 -0.6957 -0.8843 3221330 PK04_130186 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4CCOC4=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J09 compound treatment 4038237.209 470000.0 0.51 4740443.966 614000.0 0.64 0.8121 0.9938 3052794 PK04_130187 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J10 compound treatment 3623495.726 55700.0 0.06 4864567.568 738000.0 0.77 0.5853 0.7604 3221332 PK04_130188 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5cccc6cccc4c56)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J11 compound treatment 3456576.923 -111000.0 -0.12 4808774.892 682000.0 0.71 0.4164 0.5786 3176437 PK04_130189 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J12 compound treatment 3204956.693 -363000.0 -0.39 3932291.667 -194000.0 -0.2 -0.4208 -0.9518 3221334 PK04_130190 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCOC4=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J13 compound treatment 3668240.418 100000.0 0.11 4184745.033 58400.0 0.06 0.12 0.9619 3176038 PK04_130191 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J14 compound treatment 3034374.016 -533000.0 -0.58 3074631.799 -1050000.0 -1.09 -1.1819 -0.9557 3221335 PK04_130192 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCC4=O)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J15 compound treatment 3200030.189 -368000.0 -0.4 4113652.482 -12700.0 -0.01 -0.2912 -0.73 3052796 PK04_130193 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J16 compound treatment 2829070.922 -739000.0 -0.8 3524797.048 -602000.0 -0.63 -1.0084 -0.9925 3221337 PK04_130194 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCCCC5=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J17 compound treatment 3366521.277 -201000.0 -0.22 4033473.282 -92800.0 -0.1 -0.2225 -0.9327 3176331 PK04_130195 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J18 compound treatment 2733559.14 -834000.0 -0.9 3838883.636 -287000.0 -0.3 -0.8508 -0.8932 3221339 PK04_130196 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCC5=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J19 compound treatment 3158852.843 -409000.0 -0.44 3795343.537 -331000.0 -0.34 -0.5568 -0.9921 3176671 PK04_130197 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J20 compound treatment 3252531.25 -315000.0 -0.34 3494407.692 -632000.0 -0.66 -0.7061 -0.9537 3221341 PK04_130198 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4C(=O)c5ccccc5Oc6ccccc46)c7ccccc72)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J21 mock treatment 3245866.171 -322000.0 -0.35 3769904.762 -356000.0 -0.37 -0.5087 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J22 mock treatment 3146607.639 -421000.0 -0.46 3467807.56 -659000.0 -0.68 -0.8069 -0.9806 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J23 compound treatment 3870272.321 303000.0 0.33 3666836.576 -459000.0 -0.48 -0.1058 -0.1825 3176271 PK04_130199 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 J24 compound treatment 2657103.053 -911000.0 -0.99 3348602.996 -778000.0 -0.81 -1.2698 -0.9951 3221343 PK04_130200 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5ccccc5Oc6ccccc46)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K01 compound treatment 3643719.626 76000.0 0.08 3771676.856 -355000.0 -0.37 -0.2024 -0.5359 3221345 PK04_130201 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3cccs3)c4ccc(CO)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K02 compound treatment 3815893.401 248000.0 0.27 4115341.991 -11000.0 -0.01 0.1822 0.6765 3211905 PK04_130202 C[C@H](CCO)[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K03 compound treatment 2768662.42 -799000.0 -0.87 3457114.865 -669000.0 -0.7 -1.1045 -0.9941 3221347 PK04_130203 COc1ccc(CN2CCc3cc(OC)c(O)cc3C2C#Cc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K04 compound treatment 4254675.325 687000.0 0.74 4795770.833 669000.0 0.7 1.0187 0.9994 3211691 PK04_130204 CSc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K05 compound treatment 3496485.944 -71300.0 -0.08 3980986.957 -145000.0 -0.15 -0.1614 -0.9516 3221348 PK04_130205 COc1cc2CCN(C)C(C#Cc3ccccc3)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K06 compound treatment 3934847.458 367000.0 0.4 4343535.117 217000.0 0.23 0.4411 0.9639 3211813 PK04_130206 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K07 mock treatment 3999666.667 432000.0 0.47 4599295.203 473000.0 0.49 0.6788 0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K08 mock treatment 4288095.238 720000.0 0.78 4620594.378 494000.0 0.51 0.9156 0.9794 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K09 compound treatment 3651866.029 84100.0 0.09 3785964.758 -340000.0 -0.35 -0.1857 -0.5082 3221349 PK04_130207 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C#Cc4ccccc4)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K10 compound treatment 2465842.697 -1100000.0 -1.19 2868325.581 -1260000.0 -1.31 -1.7694 -0.999 3211817 PK04_130208 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K11 compound treatment 2533302.632 -1030000.0 -1.12 2549630.435 -1580000.0 -1.64 -1.9519 -0.9829 3221350 PK04_130209 COCC#CC1N(Cc2ccc(OC)cc2)CCc3cc(OC)c(O)cc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K12 compound treatment 3754000.0 186000.0 0.2 4419879.31 294000.0 0.31 0.3586 0.9799 3080279 PK04_130210 C[C@@H](CCO)[C@@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K13 compound treatment 3555276.596 -12500.0 -0.01 3897105.431 -229000.0 -0.24 -0.178 -0.7461 3221351 PK04_130211 COCC#CC1N(C)CCc2cc(OC)c(O)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K14 compound treatment 3624718.954 57000.0 0.06 3938724.265 -188000.0 -0.19 -0.0942 -0.4606 3080188 PK04_130212 CO[C@H](CCO)[C@H](O)c1ccc(OC)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K15 mock treatment 3833038.462 265000.0 0.29 4097612.903 -28700.0 -0.03 0.1823 0.6304 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K16 mock treatment 3640992.126 73200.0 0.08 4495449.339 369000.0 0.38 0.3275 0.8357 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K17 compound treatment 3260972.222 -307000.0 -0.33 3513046.875 -613000.0 -0.64 -0.6859 -0.954 3221353 PK04_130213 COCC#CC1N(Cc2ccc(o2)[N+](=O)[O-])CCc3cc(OC)c(O)cc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K18 compound treatment 3907847.273 340000.0 0.37 4134252.525 7940.0 0.01 0.2666 0.7228 3080221 PK04_130214 CO[C@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K19 compound treatment 2793153.846 -775000.0 -0.84 3529029.268 -597000.0 -0.62 -1.0329 -0.9889 3221354 PK04_130215 COc1ccc(CN2CCc3cc(OC)c(O)cc3C2C#C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K20 compound treatment 4006857.639 439000.0 0.48 4513420.849 387000.0 0.4 0.6212 0.9965 3211696 PK04_130216 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K21 compound treatment 2900769.953 -667000.0 -0.72 3195129.464 -931000.0 -0.97 -1.1958 -0.9897 3221356 PK04_130217 COc1cc2CCN(C)C(C#C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K22 compound treatment 3326260.377 -241000.0 -0.26 3934315.589 -192000.0 -0.2 -0.3263 -0.991 3211816 PK04_130218 COc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K23 mock treatment 3706219.298 138000.0 0.15 3921836.957 -204000.0 -0.21 -0.0441 -0.1696 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 K24 mock treatment 3144033.058 -424000.0 -0.46 3534847.584 -591000.0 -0.61 -0.7596 -0.9897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L01 compound treatment 3372372.34 -195000.0 -0.21 4728702.703 602000.0 0.63 0.2929 0.4432 3176382 PK04_130219 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L02 compound treatment 5125398.19 1560000.0 1.69 5266230.469 1140000.0 1.18 2.032 0.985 3221357 PK04_130220 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCCCC4=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L03 compound treatment 4570296.875 1000000.0 1.09 5702568.889 1580000.0 1.64 1.9272 0.9801 3176383 PK04_130221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L04 compound treatment 4000936.09 433000.0 0.47 5107706.667 981000.0 1.02 1.0534 0.938 3221359 PK04_130222 C[C@H](O)C(=O)Nc1ccc2N(CC=C)C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L05 compound treatment 5493278.261 1930000.0 2.09 6348590.244 2220000.0 2.31 3.1096 0.9987 3052642 PK04_130223 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L06 compound treatment 4451237.209 883000.0 0.96 4722016.807 596000.0 0.62 1.1152 0.9777 3221361 PK04_130224 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4CCC4=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L07 mock treatment 4737151.111 1170000.0 1.27 5367303.03 1240000.0 1.29 1.8087 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L08 mock treatment 4806306.667 1240000.0 1.34 5426320.93 1300000.0 1.35 1.9051 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L09 compound treatment 4518419.476 951000.0 1.03 5057412.5 931000.0 0.97 1.4132 0.9995 3176673 PK04_130225 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L10 compound treatment 3806927.273 239000.0 0.26 4456854.545 331000.0 0.34 0.4263 0.9904 3221363 PK04_130226 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)c5ccccc35)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L11 compound treatment 4535190.476 967000.0 1.05 5069802.974 943000.0 0.98 1.4352 0.9994 3052529 PK04_130227 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L12 compound treatment 3919594.406 352000.0 0.38 4255818.868 130000.0 0.13 0.3649 0.9021 3221365 PK04_130228 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N(C=O)c4ccccc4)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L13 compound treatment 4154804.416 587000.0 0.64 4532843.003 407000.0 0.42 0.7489 0.9802 3052693 PK04_130229 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L14 compound treatment 3522319.728 -45400.0 -0.05 3255744.186 -871000.0 -0.9 -0.6747 -0.7445 3221366 PK04_130230 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L15 mock treatment 4004057.047 436000.0 0.47 4242834.483 117000.0 0.12 0.4202 0.8604 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L16 mock treatment 4222026.201 654000.0 0.71 4268400.673 142000.0 0.15 0.6061 0.8364 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L17 compound treatment 4128397.638 561000.0 0.61 4291271.478 165000.0 0.17 0.5511 0.8725 3176205 PK04_130231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L18 compound treatment 3801410.569 234000.0 0.25 3213490.741 -913000.0 -0.95 -0.4918 -0.5008 3221368 PK04_130232 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCOC4=O)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L19 compound treatment 4052085.89 484000.0 0.53 4197992.982 71700.0 0.07 0.424 0.7994 3176125 PK04_130233 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L20 compound treatment 3592222.222 24500.0 0.03 3876406.897 -250000.0 -0.26 -0.1649 -0.6316 3221370 PK04_130234 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)F)c3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L21 compound treatment 4626987.013 1060000.0 1.15 4797865.169 672000.0 0.7 1.3057 0.9715 3052877 PK04_130235 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L22 compound treatment 3271819.923 -296000.0 -0.32 3633489.426 -493000.0 -0.51 -0.5891 -0.9746 3221372 PK04_130236 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(NC(=O)C)cc32)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L23 mock treatment 3350569.231 -217000.0 -0.24 3935445.902 -191000.0 -0.2 -0.3068 -0.9964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 L24 mock treatment 3145145.833 -423000.0 -0.46 3669315.175 -457000.0 -0.48 -0.6599 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M01 compound treatment 1725562.874 -1840000.0 -2.0 2188441.026 -1940000.0 -2.01 -2.8367 -1.0 3221374 PK04_130237 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C#C)c2cc1O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M02 compound treatment 3102010.989 -466000.0 -0.5 3732933.071 -393000.0 -0.41 -0.6462 -0.9945 3211810 PK04_130238 C[C@@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M03 compound treatment 3103220.0 -465000.0 -0.5 3596927.798 -529000.0 -0.55 -0.7452 -0.999 3221375 PK04_130239 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M04 compound treatment 3230296.992 -337000.0 -0.37 3565888.476 -560000.0 -0.58 -0.6706 -0.9749 3080224 PK04_130240 COc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M05 compound treatment 3512815.385 -54900.0 -0.06 4266015.385 140000.0 0.15 0.0606 0.3858 3221376 PK04_130241 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M06 compound treatment 2923380.0 -644000.0 -0.7 3097116.162 -1030000.0 -1.07 -1.2505 -0.9787 3211820 PK04_130242 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M07 compound treatment 3174116.608 -394000.0 -0.43 3800409.253 -326000.0 -0.34 -0.5413 -0.9934 3221377 PK04_130243 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M08 compound treatment 2823910.769 -744000.0 -0.81 3508812.03 -617000.0 -0.64 -1.0241 -0.9936 3211694 PK04_130244 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M09 mock treatment 2973996.429 -594000.0 -0.64 3641411.371 -485000.0 -0.5 -0.8116 -0.9927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M10 mock treatment 3133378.571 -434000.0 -0.47 3479190.141 -647000.0 -0.67 -0.8086 -0.9848 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M11 compound treatment 3188405.063 -379000.0 -0.41 3541571.429 -585000.0 -0.61 -0.7206 -0.9819 3221378 PK04_130245 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M12 compound treatment 3134517.606 -433000.0 -0.47 3606343.096 -520000.0 -0.54 -0.7143 -0.9976 3080189 PK04_130246 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M13 mock treatment 3094394.231 -473000.0 -0.51 3415362.369 -711000.0 -0.74 -0.8855 -0.9841 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M14 mock treatment 3003630.719 -564000.0 -0.61 3500787.546 -626000.0 -0.65 -0.8923 -0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M15 compound treatment 3318088.816 -250000.0 -0.27 3676850.365 -449000.0 -0.47 -0.5218 -0.9663 3221379 PK04_130247 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M16 compound treatment 2937155.172 -631000.0 -0.68 3376046.512 -750000.0 -0.78 -1.0349 -0.9979 3211679 PK04_130248 CO[C@@H](CCO)[C@@H](O)c1ccc(OC)c(O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M17 compound treatment 3118460.432 -449000.0 -0.49 3386897.436 -739000.0 -0.77 -0.8879 -0.9758 3221380 PK04_130249 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M18 compound treatment 3280273.063 -287000.0 -0.31 3144973.51 -981000.0 -1.02 -0.9417 -0.8829 3211808 PK04_130250 C[C@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M19 mock treatment 2995440.972 -572000.0 -0.62 3478842.294 -647000.0 -0.67 -0.9147 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M20 compound treatment 2435293.436 -1130000.0 -1.23 3030144.144 -1100000.0 -1.14 -1.6739 -0.9993 3080271 PK04_130251 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M21 mock treatment 3232101.399 -336000.0 -0.36 3580605.469 -546000.0 -0.57 -0.6584 -0.977 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M22 compound treatment 2937350.598 -630000.0 -0.68 3224277.027 -902000.0 -0.94 -1.1463 -0.9879 3211910 PK04_130252 C[C@@H](CCO)[C@H](O)c1ccc(O)c2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M23 mock treatment 2740870.849 -827000.0 -0.9 3383914.498 -742000.0 -0.77 -1.1796 -0.9972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 M24 compound treatment 2418180.602 -1150000.0 -1.25 2522471.014 -1600000.0 -1.67 -2.0602 -0.9897 3211692 PK04_130253 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N01 compound treatment 3464220.264 -104000.0 -0.11 4003429.752 -123000.0 -0.13 -0.1697 -0.9979 3176433 PK04_130254 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N02 compound treatment 2834502.008 -733000.0 -0.8 3770574.561 -356000.0 -0.37 -0.8236 -0.9393 3221382 PK04_130255 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCCCC5=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N03 compound treatment 3650364.662 82600.0 0.09 5040366.197 914000.0 0.95 0.7351 0.7704 3175967 PK04_130256 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N04 compound treatment 3469912.587 -97800.0 -0.11 4670000.0 544000.0 0.57 0.3246 0.5645 3221383 PK04_130257 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5C(=O)c6ccccc6Oc7ccccc57)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N05 compound treatment 3082673.529 -485000.0 -0.53 5024524.444 898000.0 0.93 0.2883 0.269 3052653 PK04_130258 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N06 compound treatment 3184000.0 -384000.0 -0.42 3916887.931 -209000.0 -0.22 -0.4481 -0.9543 3221385 PK04_130259 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5cccc6cccc4c56)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N07 compound treatment 3510543.478 -57200.0 -0.06 4396412.844 270000.0 0.28 0.1547 0.5379 3052758 PK04_130260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N08 compound treatment 2979406.667 -588000.0 -0.64 3650155.556 -476000.0 -0.49 -0.801 -0.9921 3221386 PK04_130261 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccc(cc3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N09 mock treatment 3540588.629 -27200.0 -0.03 4069160.584 -57100.0 -0.06 -0.0628 -0.9476 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N10 mock treatment 3747112.971 179000.0 0.19 3738654.804 -388000.0 -0.4 -0.1474 -0.3295 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N11 compound treatment 3130188.811 -438000.0 -0.47 3614003.676 -512000.0 -0.53 -0.712 -0.9983 3176332 PK04_130262 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N12 compound treatment 3124760.0 -443000.0 -0.48 3329233.449 -797000.0 -0.83 -0.9255 -0.9664 3221388 PK04_130263 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N13 mock treatment 3291076.087 -277000.0 -0.3 3801093.617 -325000.0 -0.34 -0.4512 -0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N14 mock treatment 3280154.982 -288000.0 -0.31 3654974.638 -471000.0 -0.49 -0.5669 -0.9762 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N15 compound treatment 3950434.343 383000.0 0.41 4187610.39 61300.0 0.06 0.3385 0.8062 3176440 PK04_130264 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N16 compound treatment 3130996.835 -437000.0 -0.47 3381970.48 -744000.0 -0.77 -0.8819 -0.9722 3221389 PK04_130265 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N4C(=O)c5cccc6cccc4c56)c7ccccc72)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N17 compound treatment 3030629.758 -537000.0 -0.58 3341266.16 -785000.0 -0.82 -0.9888 -0.9863 3174818 PK04_130266 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N18 compound treatment 2992131.474 -576000.0 -0.62 3262000.0 -864000.0 -0.9 -1.0766 -0.9842 3221391 PK04_130267 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCOC5=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N19 compound treatment 3109778.443 -458000.0 -0.5 3206291.262 -920000.0 -0.96 -1.0273 -0.9534 3052539 PK04_130268 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N20 compound treatment 2326251.748 -1240000.0 -1.35 3106564.885 -1020000.0 -1.06 -1.7013 -0.993 3221392 PK04_130269 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N(C=O)c5ccccc5)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N21 compound treatment 3717806.452 150000.0 0.16 3919435.897 -207000.0 -0.22 -0.037 -0.1372 3052582 PK04_130270 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N22 compound treatment 2350901.316 -1220000.0 -1.32 3363455.446 -763000.0 -0.79 -1.4936 -0.9703 3221394 PK04_130271 C[C@H](O)C(=O)Nc1ccc(CN2C(=O)[C@@]3(O[C@@H](CCO)[C@@H]([C@H]3C)[Si](C)(C)F)c4ccccc24)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N23 compound treatment 3190569.966 -377000.0 -0.41 4132662.602 6350.0 0.01 -0.2845 -0.6956 3052791 PK04_130272 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 N24 compound treatment 2390339.35 -1180000.0 -1.28 2797272.727 -1330000.0 -1.38 -1.8795 -0.9992 3221396 PK04_130273 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(NC(=O)C)c3)c4ccccc42)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O01 mock treatment 2955887.097 -612000.0 -0.66 3369041.825 -757000.0 -0.79 -1.0257 -0.9964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O02 compound treatment 2704682.143 -863000.0 -0.94 2835781.818 -1290000.0 -1.34 -1.6102 -0.9845 3211913 PK04_130274 CSc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O03 mock treatment 3656865.471 89100.0 0.1 4095245.902 -31100.0 -0.03 0.0455 0.4465 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O04 mock treatment 3452138.528 -116000.0 -0.13 4074460.905 -51800.0 -0.05 -0.1267 -0.9289 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O05 mock treatment 3369137.097 -199000.0 -0.22 3741308.642 -385000.0 -0.4 -0.4352 -0.9578 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O06 mock treatment 3329782.759 -238000.0 -0.26 3704316.017 -422000.0 -0.44 -0.4926 -0.968 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O07 mock treatment 3377539.683 -190000.0 -0.21 3744281.633 -382000.0 -0.4 -0.4266 -0.9534 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O08 mock treatment 3415655.431 -152000.0 -0.16 3830597.51 -296000.0 -0.31 -0.334 -0.9574 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O09 mock treatment 3500132.653 -67600.0 -0.07 4008359.073 -118000.0 -0.12 -0.1385 -0.9698 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O10 mock treatment 3338228.374 -230000.0 -0.25 3698061.303 -428000.0 -0.45 -0.4907 -0.9623 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O11 mock treatment 3640907.692 73200.0 0.08 3717846.69 -408000.0 -0.42 -0.2441 -0.5652 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O12 mock treatment 3340209.559 -228000.0 -0.25 3720864.286 -405000.0 -0.42 -0.4724 -0.9675 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O13 mock treatment 3350487.179 -217000.0 -0.24 3837810.7 -288000.0 -0.3 -0.3786 -0.9929 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O14 mock treatment 3563114.007 -4640.0 -0.01 4116164.063 -10100.0 -0.01 -0.011 -0.9427 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O15 mock treatment 3255439.394 -312000.0 -0.34 3754758.621 -372000.0 -0.39 -0.5125 -0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O16 mock treatment 3389146.497 -179000.0 -0.19 3808175.676 -318000.0 -0.33 -0.3708 -0.9675 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O17 mock treatment 3283518.272 -284000.0 -0.31 3882672.241 -244000.0 -0.25 -0.397 -0.9952 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O18 mock treatment 2967750.831 -600000.0 -0.65 3488981.203 -637000.0 -0.66 -0.9284 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O19 mock treatment 3201500.0 -366000.0 -0.4 3557943.82 -568000.0 -0.59 -0.6985 -0.9813 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O20 mock treatment 3005583.333 -562000.0 -0.61 3576982.143 -549000.0 -0.57 -0.8348 -0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O21 mock treatment 3006124.555 -562000.0 -0.61 3531218.391 -595000.0 -0.62 -0.868 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O22 mock treatment 3005982.014 -562000.0 -0.61 3743331.126 -383000.0 -0.4 -0.7122 -0.9787 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O23 mock treatment 3043165.563 -525000.0 -0.57 3393553.114 -733000.0 -0.76 -0.9408 -0.9897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 O24 mock treatment 2604150.579 -964000.0 -1.04 2842076.923 -1280000.0 -1.33 -1.6827 -0.9927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P01 compound treatment 2757454.198 -810000.0 -0.88 3442675.325 -684000.0 -0.71 -1.1237 -0.9945 3175838 PK04_130275 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P02 compound treatment 3511305.164 -56400.0 -0.06 3954009.434 -172000.0 -0.18 -0.1699 -0.8978 3221398 PK04_130276 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccc(cc3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P03 compound treatment 2157560.0 -1410000.0 -1.53 2947409.722 -1180000.0 -1.23 -1.9476 -0.994 3052740 PK04_130277 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P04 compound treatment 3602558.824 34800.0 0.04 4005502.203 -121000.0 -0.13 -0.0621 -0.4737 3221399 PK04_130278 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(NC(=O)C)c3)c4ccccc42)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P05 compound treatment 2740948.052 -827000.0 -0.9 1477982.301 -2650000.0 -2.75 -2.5804 -0.8913 3176784 PK04_130279 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P06 compound treatment 3190981.413 -377000.0 -0.41 3663163.934 -463000.0 -0.48 -0.6293 -0.9967 3221400 PK04_130280 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5C(=O)c6ccccc6Oc7ccccc57)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P07 compound treatment 3327510.345 -240000.0 -0.26 3278697.509 -848000.0 -0.88 -0.8072 -0.8786 3052752 PK04_130281 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P08 compound treatment 2999640.0 -568000.0 -0.62 3769930.131 -356000.0 -0.37 -0.6975 -0.9704 3221401 PK04_130282 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCC5=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P09 compound treatment 2963343.537 -604000.0 -0.66 3351736.462 -775000.0 -0.81 -1.0327 -0.9948 3052788 PK04_130283 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P10 compound treatment 2847212.928 -721000.0 -0.78 2954798.587 -1170000.0 -1.22 -1.4135 -0.977 3221402 PK04_130284 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P11 mock treatment 3189788.104 -378000.0 -0.41 3327000.0 -799000.0 -0.83 -0.8773 -0.947 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P12 mock treatment 3261928.082 -306000.0 -0.33 3392527.076 -734000.0 -0.76 -0.7738 -0.9304 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P13 compound treatment 3162320.0 -405000.0 -0.44 3114859.532 -1010000.0 -1.05 -1.0542 -0.9252 3052846 PK04_130285 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P14 compound treatment 3305709.402 -262000.0 -0.28 2877687.97 -1250000.0 -1.3 -1.1186 -0.842 3221404 PK04_130286 C[C@H](O)C(=O)Nc1cccc(CN2C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c4ccccc24)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P15 compound treatment 3120423.488 -447000.0 -0.49 3212225.705 -914000.0 -0.95 -1.0148 -0.9513 3052836 PK04_130287 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P16 compound treatment 2628252.708 -940000.0 -1.02 2784900.0 -1340000.0 -1.39 -1.7062 -0.9881 3221406 PK04_130288 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P17 compound treatment 2801346.939 -766000.0 -0.83 3156694.534 -970000.0 -1.01 -1.3002 -0.9954 3176730 PK04_130289 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P18 compound treatment 2669732.673 -898000.0 -0.97 2991222.581 -1140000.0 -1.18 -1.5228 -0.9955 3221407 PK04_130290 C[C@H](O)C(=O)Nc1ccc(CN2C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c4ccccc24)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P19 compound treatment 2643926.606 -924000.0 -1.0 3199776.119 -927000.0 -0.96 -1.3893 -0.9998 3052799 PK04_130291 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P20 compound treatment 2237437.037 -1330000.0 -1.44 2905332.203 -1220000.0 -1.27 -1.9173 -0.998 3221408 PK04_130292 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)c5ccccc35)cc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P21 compound treatment 2531492.754 -1040000.0 -1.12 3013202.532 -1110000.0 -1.16 -1.6126 -0.9999 3176730 PK04_130293 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P22 compound treatment 2016147.541 -1550000.0 -1.68 2487815.385 -1640000.0 -1.7 -2.3939 -1.0 3221410 PK04_130294 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCC4=O)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P23 compound treatment 2534054.348 -1030000.0 -1.12 3131399.317 -995000.0 -1.03 -1.5238 -0.9992 3176786 PK04_130295 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2130 P24 compound treatment 1707010.033 -1860000.0 -2.02 1909562.29 -2220000.0 -2.3 -3.0559 -0.9978 3221411 PK04_130296 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4C(=O)COc5ccccc45)c6ccccc62)[Si](C)(C)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A01 compound treatment 3460687.805 -517000.0 -0.56 3792314.136 -471000.0 -0.49 -0.7431 -0.9977 3561840 PK04_181001 CC(C)(C)N(CC=C)C(=O)C1N(Cc2ccccc2)C(=O)C3C(C4OC13C=C4)C(=O)O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A02 compound treatment 3537553.299 -441000.0 -0.48 3761869.11 -502000.0 -0.52 -0.7066 -0.999 3561841 PK04_181002 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A03 compound treatment 4114129.032 136000.0 0.15 3557125.0 -707000.0 -0.73 -0.415 -0.554 3561843 PK04_181003 OC1CCC(CC1)N2C(C(=O)N(CC=C)c3ccccc3)C4(OC5C=C4)C(C5C(=O)OCC=C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A04 compound treatment 3992337.662 14300.0 0.02 3777789.474 -486000.0 -0.51 -0.3462 -0.6851 2065615 PK04_181004 COc1ccc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A05 compound treatment 3561046.025 -417000.0 -0.45 3752180.488 -512000.0 -0.53 -0.6957 -0.9967 3561844 PK04_181005 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccco4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A06 compound treatment 3173884.058 -804000.0 -0.87 3206476.744 -1060000.0 -1.1 -1.3936 -0.9934 3561845 PK04_181006 CCCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)c5ccccc5Cl)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A07 compound treatment 3581473.43 -397000.0 -0.43 3627832.487 -636000.0 -0.66 -0.7714 -0.9783 3561847 PK04_181007 Cc1cccc2OC(CC(=O)c12)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A08 compound treatment 3305420.354 -673000.0 -0.73 3620994.975 -643000.0 -0.67 -0.9881 -0.999 3561848 PK04_181008 CCCCCN1C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C1=O)c5ccccc5Cl)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A09 compound treatment 3352285.0 -626000.0 -0.68 3511666.667 -752000.0 -0.78 -1.0325 -0.9975 3561850 PK04_181009 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A10 compound treatment 3191715.596 -786000.0 -0.85 3044861.905 -1220000.0 -1.27 -1.4987 -0.9814 3561851 PK04_181010 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A11 compound treatment 2714926.531 -1260000.0 -1.37 2977359.649 -1290000.0 -1.34 -1.9139 -0.9999 3561853 PK04_181011 Brc1ccc(CN(C(C(=O)NCc2ccccc2)c3ccco3)C(=O)Cc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A12 compound treatment 3237743.842 -740000.0 -0.8 3173482.927 -1090000.0 -1.13 -1.3689 -0.9857 3561854 PK04_181012 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A13 mock treatment 3488266.667 -490000.0 -0.53 3780751.174 -483000.0 -0.5 -0.7305 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A14 mock treatment 3336358.079 -642000.0 -0.7 3686087.629 -578000.0 -0.6 -0.9165 -0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A15 compound treatment 2909260.87 -1070000.0 -1.16 3078988.95 -1180000.0 -1.23 -1.6902 -0.9995 3561850 PK04_181013 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A16 compound treatment 3249487.31 -729000.0 -0.79 3420457.711 -843000.0 -0.88 -1.1784 -0.9987 3561856 PK04_181014 C[C@H](C(OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@H](CN(CC=C)Cc4ccccc4)N(C(=O)[C@@H]13)C(C)(C)C)c5ccccc5)N(C)C(=O)CCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A17 compound treatment 2633676.724 -1340000.0 -1.46 2813062.222 -1450000.0 -1.51 -2.0969 -0.9999 3561858 PK04_181015 COc1ccc(CNC(=O)OCC2c3ccccc3-c4ccccc24)cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A18 compound treatment 3321358.025 -657000.0 -0.71 3319412.844 -944000.0 -0.98 -1.1975 -0.9876 3561856 PK04_181016 C[C@H](C(OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@H](CN(CC=C)Cc4ccccc4)N(C(=O)[C@@H]13)C(C)(C)C)c5ccccc5)N(C)C(=O)CCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A19 compound treatment 3295922.705 -682000.0 -0.74 3303874.419 -960000.0 -1.0 -1.2285 -0.9891 3561859 PK04_181017 CCOC(=O)C1C2OC3(C=C2)C(N(Cc4cc(OC)cc(OC)c4)C(=O)C13)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A20 compound treatment 3219115.044 -759000.0 -0.82 3414832.636 -849000.0 -0.88 -1.2058 -0.9994 3561860 PK04_181018 COc1ccc(CN2[C@H](C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)[C@@H]([C@H]5C(=O)O)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A21 compound treatment 2585968.504 -1390000.0 -1.51 2679530.864 -1580000.0 -1.65 -2.2317 -0.9991 3561861 PK04_181019 CCOC(=O)C1C2OC3(C=C2)C(N(Cc4ccccc4)C(=O)C13)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A22 compound treatment 2945356.275 -1030000.0 -1.12 2549028.662 -1710000.0 -1.78 -2.052 -0.9749 3561862 PK04_181020 COc1cc(CN2[C@H](C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)[C@@H]([C@H]5C(=O)O)C2=O)ccc1O[SiH](C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A23 compound treatment 2818757.848 -1160000.0 -1.26 2647139.442 -1620000.0 -1.68 -2.077 -0.9898 3561864 PK04_181021 O=C(Cc1ccccc1)OC(C(=O)NCc2ccccc2)c3ccco3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 A24 compound treatment 2335008.23 -1640000.0 -1.78 2262508.475 -2000000.0 -2.08 -2.7306 -0.997 3561865 PK04_181022 COc1cc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)ccc1O[SiH](C(C)C)C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B01 compound treatment 3988139.303 10100.0 0.01 4189021.053 -74700.0 -0.08 -0.0472 -0.6018 3561867 PK04_181023 OC(CC=C)c1cccc(c1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B02 compound treatment 4827711.111 850000.0 0.92 4953653.061 690000.0 0.72 1.1585 0.9923 1008566 PK04_181024 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B03 compound treatment 3917076.531 -61000.0 -0.07 4277476.471 13800.0 0.01 -0.0367 -0.5417 3561868 PK04_181025 CC(C)(C)OC(=O)OC(CC=C)c1ccc(cc1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B04 compound treatment 3050556.15 -928000.0 -1.01 3242503.401 -1020000.0 -1.06 -1.4617 -0.9996 3561869 PK04_181026 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)[Se]c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B05 compound treatment 3993114.035 15000.0 0.02 4121472.081 -142000.0 -0.15 -0.093 -0.6253 3561870 PK04_181027 OC(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B06 compound treatment 3909462.5 -68600.0 -0.07 4789627.551 526000.0 0.55 0.3339 0.6053 3561871 PK04_181028 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B07 compound treatment 3510089.286 -468000.0 -0.51 3418099.415 -846000.0 -0.88 -0.9803 -0.9659 3561872 PK04_181029 OC(CSc1nc(c(o1)c2ccccc2)c3ccccc3)CC(O)c4ccc(cc4)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B08 compound treatment 3815266.949 -163000.0 -0.18 4174432.99 -89300.0 -0.09 -0.1904 -0.9549 3561873 PK04_181030 CC(C)CC1CC(=O)C=C(Cl)N1C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B09 compound treatment 3853298.755 -125000.0 -0.14 4007556.017 -256000.0 -0.27 -0.2839 -0.9507 3561874 PK04_181031 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B10 compound treatment 3983013.158 4940.0 0.01 3806474.104 -457000.0 -0.48 -0.3323 -0.6991 3561875 PK04_181032 COC(=O)C1=C(Cl)N(C(CC(C)C)CC1=O)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B11 compound treatment 1176647.059 -2800000.0 -3.04 1110481.013 -3150000.0 -3.28 -4.4654 -0.9993 3561876 PK04_181033 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2CC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)OC(O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B12 compound treatment 3733407.407 -245000.0 -0.27 3980675.105 -283000.0 -0.29 -0.3956 -0.9987 3561877 PK04_181034 COC(=O)C1=C(OC)N(C(CC(C)C)CC1=O)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B13 mock treatment 4024453.608 46400.0 0.05 4378227.273 115000.0 0.12 0.1197 0.9266 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B14 mock treatment 3750575.107 -227000.0 -0.25 4005979.798 -258000.0 -0.27 -0.3639 -0.9991 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B15 compound treatment 4010858.639 32800.0 0.04 3849774.194 -414000.0 -0.43 -0.2791 -0.6465 3561878 PK04_181035 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2CC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)OC(O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B16 compound treatment 1475872.34 -2500000.0 -2.71 1486595.745 -2780000.0 -2.89 -3.9595 -0.9995 3561879 PK04_181036 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B17 compound treatment 3841654.028 -136000.0 -0.15 3735901.869 -528000.0 -0.55 -0.4925 -0.8668 3561880 PK04_181037 OC(CC1CO1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B18 compound treatment 3698336.207 -280000.0 -0.3 3965267.943 -298000.0 -0.31 -0.4338 -0.9999 3561881 PK04_181038 CC(C)(C)OC(=O)NCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B19 compound treatment 3772017.937 -206000.0 -0.22 3760477.551 -503000.0 -0.52 -0.5279 -0.928 3561882 PK04_181039 CN(CC(O)CC(O)c1ccccc1)Cc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B20 compound treatment 2823663.677 -1150000.0 -1.25 3189463.964 -1070000.0 -1.12 -1.6746 -0.9984 3561883 PK04_181040 COc1ccc(CN(C(=C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B21 compound treatment 2632284.247 -1350000.0 -1.46 3180238.462 -1080000.0 -1.13 -1.8281 -0.9918 3561884 PK04_181041 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccc(cc6)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B22 compound treatment 3014273.148 -964000.0 -1.05 2783853.659 -1480000.0 -1.54 -1.8266 -0.9823 3561885 PK04_181042 COc1ccc(CNS(=O)(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(OC)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B23 compound treatment 2990603.306 -987000.0 -1.07 3012453.875 -1250000.0 -1.3 -1.6767 -0.9953 3561886 PK04_181043 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3ccncc3)CC(O2)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 B24 compound treatment 2635781.25 -1340000.0 -1.46 2674180.18 -1590000.0 -1.65 -2.1974 -0.998 3561887 PK04_181044 Brc1ccc(cc1)S(=O)(=O)N2C[C@H]2C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C01 compound treatment 3547095.506 -431000.0 -0.47 3770662.857 -493000.0 -0.51 -0.6928 -0.9989 3561889 PK04_181045 O=C(Cc1ccccc1)N2CC(=O)Oc3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C02 compound treatment 3977561.321 -513.0 0.0 4189585.253 -74100.0 -0.08 -0.0549 -0.7122 3561890 PK04_181046 CCCCCNC(=O)[C@H]1N(C(=O)[C@@H]2[C@H](C3OC12C=C3)C(=O)OCC)c4ccccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C03 compound treatment 3743036.269 -235000.0 -0.25 4387294.737 124000.0 0.13 -0.0894 -0.3132 3561892 PK04_181047 CCOC(=O)C1C2OC3(C=C2)C(N(CCCCCCO)C(=O)C13)C(=O)N(CC=C)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C04 compound treatment 3625096.552 -353000.0 -0.38 3945851.064 -318000.0 -0.33 -0.5043 -0.9973 2065568 PK04_181048 CCCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C05 compound treatment 3644453.416 -334000.0 -0.36 3850789.189 -413000.0 -0.43 -0.5593 -0.9964 3561893 PK04_181049 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)OCC=C)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C06 compound treatment 3306418.301 -672000.0 -0.73 3747535.714 -516000.0 -0.54 -0.8943 -0.9887 2065566 PK04_181050 CCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C07 compound treatment 3956740.933 -21300.0 -0.02 4235850.515 -27900.0 -0.03 -0.0368 -0.9938 3561894 PK04_181051 CCOC(=O)C1C2OC3(C=C2)C(N(C4CCC(O)CC4)C(=O)C13)C(=O)N(CC=C)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C08 compound treatment 3788250.0 -190000.0 -0.21 3991102.151 -273000.0 -0.28 -0.3459 -0.9877 2065605 PK04_181052 CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c2cccs2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C09 compound treatment 3620388.889 -358000.0 -0.39 3945788.462 -318000.0 -0.33 -0.5079 -0.9968 3561895 PK04_181053 O=C(Cc1ccccc1)OC(COCc2ccccc2)C(=O)NCc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C10 compound treatment 3154132.743 -824000.0 -0.89 3749519.802 -514000.0 -0.53 -1.0096 -0.9698 2065603 PK04_181054 COc1ccc(NC(=O)C(OC(=O)c2ccccc2)c3cccs3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C11 mock treatment 3945305.699 -32800.0 -0.04 3905885.714 -358000.0 -0.37 -0.2881 -0.7711 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C12 mock treatment 3889418.605 -88700.0 -0.1 3688855.932 -575000.0 -0.6 -0.4905 -0.8104 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C13 compound treatment 3229436.681 -749000.0 -0.81 4298455.446 34700.0 0.04 -0.5484 -0.675 3561896 PK04_181055 CCOC(=O)C1C2OC3(C=C2)C(N(C4CCC(O)CC4)C(=O)C13)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C14 compound treatment 3614971.264 -363000.0 -0.39 3971187.5 -293000.0 -0.3 -0.4934 -0.9918 2065601 PK04_181056 O=C(NCc1ccccc1)C(OC(=O)c2ccccc2)c3cccs3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C15 mock treatment 3907584.699 -70500.0 -0.08 3900242.291 -363000.0 -0.38 -0.3212 -0.8333 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C16 mock treatment 3697308.989 -281000.0 -0.3 4254276.042 -9450.0 -0.01 -0.2222 -0.7295 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C17 compound treatment 3472191.011 -506000.0 -0.55 3722897.849 -541000.0 -0.56 -0.7853 -0.9999 3561897 PK04_181057 OC1CCC(CC1)N2C(C(=O)NCc3ccccc3)C4(OC5C=C4)C(C5C(=O)OCC=C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C18 compound treatment 3371603.524 -606000.0 -0.66 4035905.263 -228000.0 -0.24 -0.6324 -0.9049 3057099 PK04_181058 O=C(NCc1ccccc1)C(OC(=O)c2ccccc2)c3ccco3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C19 compound treatment 3439878.641 -538000.0 -0.58 3556460.829 -707000.0 -0.74 -0.9325 -0.9935 3561892 PK04_181059 CCOC(=O)C1C2OC3(C=C2)C(N(CCCCCCO)C(=O)C13)C(=O)N(CC=C)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C20 compound treatment 3539298.343 -439000.0 -0.48 3865990.099 -398000.0 -0.41 -0.6287 -0.9976 3057100 PK04_181060 COc1ccc(NC(=O)C(OC(=O)c2ccccc2)c3ccco3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C21 compound treatment 3297059.829 -681000.0 -0.74 3583113.744 -681000.0 -0.71 -1.0224 -0.9998 3561898 PK04_181061 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=C[C@]42O[C@@H]5/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]4C1=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C22 compound treatment 3370115.741 -608000.0 -0.66 3312663.968 -951000.0 -0.99 -1.1651 -0.9806 3176076 PK04_181062 CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c2ccco2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C23 compound treatment 3072195.122 -906000.0 -0.98 3444975.0 -819000.0 -0.85 -1.2963 -0.9974 3561899 PK04_181063 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 C24 compound treatment 2876462.312 -1100000.0 -1.19 3058524.887 -1210000.0 -1.25 -1.7304 -0.9997 2065566 PK04_181064 CCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D01 compound treatment 3839793.991 -138000.0 -0.15 4054791.444 -209000.0 -0.22 -0.2596 -0.9836 3561900 PK04_181065 COCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D02 compound treatment 3883028.846 -95000.0 -0.1 4330217.391 66500.0 0.07 -0.024 -0.1934 3561901 PK04_181066 COc1cc(OC)c(CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D03 compound treatment 4256165.094 278000.0 0.3 4669616.915 406000.0 0.42 0.5115 0.9864 3561902 PK04_181067 OCCSCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D04 compound treatment 4154743.455 177000.0 0.19 4661695.0 398000.0 0.41 0.428 0.9388 3561903 PK04_181068 COc1ccc(CN(C(COC(=O)c2cccc(OC)c2O)C=C)S(=O)(=O)c3ccc(Br)cc3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D05 compound treatment 3441753.555 -536000.0 -0.58 3912546.392 -351000.0 -0.37 -0.6693 -0.9748 3215593 PK04_181069 OCCSCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D06 compound treatment 3654380.392 -324000.0 -0.35 4668198.864 404000.0 0.42 0.0491 0.0897 3561904 PK04_181070 COC(=O)C1CC=C(CC1C(=O)OC)N(Cc2ccc(OC)cc2)S(=O)(=O)c3ccc(Br)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D07 compound treatment 4404321.782 426000.0 0.46 4937232.877 674000.0 0.7 0.8218 0.9797 3561905 PK04_181071 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CN(C)Cc3ccccc3)CC(O2)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D08 compound treatment 3715755.435 -262000.0 -0.28 3802400.943 -461000.0 -0.48 -0.5402 -0.9689 3561906 PK04_181072 COc1ccc(CN([C@H](COC(=O)c2ccc(cc2)[N+](=O)[O-])C=C)S(=O)(=O)c3ccc(Br)cc3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D09 compound treatment 3998820.084 20700.0 0.02 4713410.526 450000.0 0.47 0.3464 0.7403 3561908 PK04_181073 OC(CSc1nc2ccccc2o1)CC(O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D10 compound treatment 3263650.794 -714000.0 -0.77 3729901.042 -534000.0 -0.55 -0.9401 -0.9866 3561909 PK04_181074 Brc1ccc(cc1)N2C(CN(C2=O)S(=O)(=O)c3ccc(Br)cc3)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D11 mock treatment 3835556.017 -143000.0 -0.15 4828241.573 565000.0 0.59 0.3056 0.5037 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D12 mock treatment 4066114.583 88000.0 0.1 4437415.789 174000.0 0.18 0.1952 0.9556 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D13 compound treatment 4155362.637 177000.0 0.19 4216773.684 -46900.0 -0.05 0.1014 0.5114 3561910 PK04_181075 COC(=O)CCCCCCC(=O)NOCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D14 compound treatment 2795960.526 -1180000.0 -1.28 3578191.919 -686000.0 -0.71 -1.4102 -0.9616 3561911 PK04_181076 COc1ccc(CN([C@H](CI)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D15 mock treatment 3796668.103 -181000.0 -0.2 4304823.529 41100.0 0.04 -0.1089 -0.5409 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D16 mock treatment 3819762.115 -158000.0 -0.17 3835458.647 -428000.0 -0.45 -0.4361 -0.9142 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D17 compound treatment 3548226.852 -430000.0 -0.47 4048086.294 -216000.0 -0.22 -0.488 -0.9437 3561913 PK04_181077 OC(=O)CCCCCCC(=O)NOCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D18 compound treatment 3352601.476 -625000.0 -0.68 3758909.091 -505000.0 -0.52 -0.8506 -0.992 3561914 PK04_181078 COc1ccc(CN(C2=CCC3C(C2)C(=O)N(C)C3=O)S(=O)(=O)c4ccc(Br)cc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D19 compound treatment 3038985.56 -939000.0 -1.02 3403449.612 -860000.0 -0.89 -1.3523 -0.9979 3561915 PK04_181079 OCc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D20 compound treatment 3190385.892 -788000.0 -0.85 3389075.812 -875000.0 -0.91 -1.2468 -0.9995 3561916 PK04_181080 COCCCN(CC(O)CO)C[C@]1(O)CCC2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@@]54C=C[C@]23C(=C5)C(=O)c6ccc(OC)cc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D21 compound treatment 3234636.364 -743000.0 -0.81 3693168.269 -571000.0 -0.59 -0.9893 -0.9886 3561917 PK04_181081 O=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D22 compound treatment 3325741.445 -652000.0 -0.71 3599084.444 -665000.0 -0.69 -0.9886 -0.9999 3561918 PK04_181082 COCCCN(CC(O)CO)C[C@]1(O)CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D23 compound treatment 3052717.949 -925000.0 -1.0 3483066.406 -781000.0 -0.81 -1.2832 -0.9945 3561919 PK04_181083 OC(CN=[N+]=[N-])CC(O)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 D24 compound treatment 2866556.522 -1110000.0 -1.21 3038130.802 -1230000.0 -1.27 -1.753 -0.9996 3561920 PK04_181084 COCCCN(C[C@]1(O)CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(=O)O[C@H]5C[C@@H](C)CC[C@@H]5C(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E01 mock treatment 4089730.233 112000.0 0.12 4628535.0 365000.0 0.38 0.3537 0.8887 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E02 mock treatment 4467244.541 489000.0 0.53 4917746.114 654000.0 0.68 0.8557 0.9925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E03 compound treatment 4323343.612 345000.0 0.37 5014121.359 750000.0 0.78 0.8162 0.9435 3561899 PK04_181085 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E04 compound treatment 5330621.622 1350000.0 1.47 5159544.041 896000.0 0.93 1.6954 0.976 2065568 PK04_181086 CCCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E05 compound treatment 4983800.948 1010000.0 1.09 5043000.0 779000.0 0.81 1.3438 0.9893 3561899 PK04_181087 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E06 compound treatment 4344581.818 367000.0 0.4 4757932.099 494000.0 0.51 0.6442 0.992 2065570 PK04_181088 O=C(NCc1ccccc1)C(COCc2ccccc2)OC(=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E07 compound treatment 4770698.02 793000.0 0.86 4920080.851 656000.0 0.68 1.0901 0.9935 3561899 PK04_181089 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E08 compound treatment 4806026.042 828000.0 0.9 5280990.61 1020000.0 1.06 1.3825 0.9967 2065572 PK04_181090 COc1ccc(NC(=O)C(COCc2ccccc2)OC(=O)c3ccccc3)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E09 mock treatment 4271512.931 293000.0 0.32 4725198.157 461000.0 0.48 0.5642 0.9801 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E10 mock treatment 3641562.963 -337000.0 -0.36 4845365.591 582000.0 0.6 0.1695 0.24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E11 compound treatment 4121751.073 144000.0 0.16 5058666.667 795000.0 0.83 0.6944 0.8259 3561921 PK04_181091 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E12 compound treatment 4457736.842 480000.0 0.52 4963830.303 700000.0 0.73 0.8823 0.9864 2065574 PK04_181092 CC(C)(C)NC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E13 compound treatment 4139798.851 162000.0 0.18 4436806.63 173000.0 0.18 0.2512 0.9999 3561922 PK04_181093 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(Cc4ccc(OC)cc4)C(=O)[C@@H]13)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E14 compound treatment 4545227.848 567000.0 0.61 4583717.277 320000.0 0.33 0.67 0.9584 2065576 PK04_181094 CCCCNC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E15 compound treatment 4620183.784 642000.0 0.7 4398123.596 134000.0 0.14 0.5911 0.8324 3561841 PK04_181095 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E16 compound treatment 4445315.152 467000.0 0.51 4706512.438 443000.0 0.46 0.6837 0.9989 2065599 PK04_181096 CCCCCNC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E17 mock treatment 4272374.384 294000.0 0.32 4814962.567 551000.0 0.57 0.6308 0.9618 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E18 mock treatment 4093217.593 115000.0 0.12 4628502.415 365000.0 0.38 0.3564 0.8928 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E19 compound treatment 3768926.199 -209000.0 -0.23 4036007.813 -228000.0 -0.24 -0.3277 -0.9998 3561841 PK04_181097 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E20 compound treatment 4250160.0 272000.0 0.3 4881989.744 618000.0 0.64 0.663 0.9376 3561923 PK04_181098 CCCNC(=O)COc1ccc(C=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E21 compound treatment 4012937.5 34900.0 0.04 4232866.667 -30900.0 -0.03 0.0041 0.0817 3561841 PK04_181099 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E22 compound treatment 4076254.808 98200.0 0.11 4528903.061 265000.0 0.28 0.2702 0.9144 3561924 PK04_181100 CCCNC(=O)Cc1ccc(N)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E23 compound treatment 3572899.543 -405000.0 -0.44 3643370.656 -620000.0 -0.64 -0.7666 -0.9825 3561841 PK04_181101 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 E24 compound treatment 3005520.661 -973000.0 -1.05 3307353.846 -956000.0 -0.99 -1.4486 -0.9996 3561925 PK04_181102 CCOC(=O)/C=C/c1ccccc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F01 mock treatment 4010020.513 31900.0 0.03 4102053.763 -162000.0 -0.17 -0.0943 -0.5498 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F02 mock treatment 4574792.553 597000.0 0.65 4655344.444 392000.0 0.41 0.7453 0.9751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F03 compound treatment 3637153.226 -341000.0 -0.37 3281963.768 -982000.0 -1.02 -0.983 -0.9057 3561927 PK04_181103 OC(CSc1nc(c(o1)c2ccccc2)c3ccccc3)CC(O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F04 compound treatment 4914897.196 937000.0 1.02 5566080.402 1300000.0 1.35 1.6755 0.99 1366116 PK04_181104 Brc1ccc2ncnc(NCC=C)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F05 compound treatment 4948005.0 970000.0 1.05 4793325.893 530000.0 0.55 1.1329 0.9544 3561928 PK04_181105 CN(CC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F06 compound treatment 3481208.955 -497000.0 -0.54 4449811.765 186000.0 0.19 -0.2442 -0.4266 1945167 PK04_181106 C/C(=C/C(=O)c1ccc(Cl)cc1)/Nc2cccc(O)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F07 compound treatment 4642371.859 664000.0 0.72 5708233.161 1440000.0 1.5 1.571 0.9434 3561929 PK04_181107 OC(CSc1nc2ccccc2s1)CC(O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F08 compound treatment 4473907.489 496000.0 0.54 5157036.697 893000.0 0.93 1.0367 0.9662 1448632 PK04_181108 Nn1cnc2-c3ccccc3CC4(CCCC4)c2c1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F09 mock treatment 4576475.61 598000.0 0.65 5165004.425 901000.0 0.94 1.1212 0.9839 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F10 mock treatment 4222840.336 245000.0 0.27 5297067.961 1030000.0 1.07 0.9471 0.8561 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F11 compound treatment 4883333.333 905000.0 0.98 4489864.198 226000.0 0.24 0.8603 0.8523 3561930 PK04_181109 OC(CSc1ccccn1)CC(O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F12 compound treatment 3502337.5 -476000.0 -0.52 4460442.708 197000.0 0.2 -0.2202 -0.3968 3561931 PK04_181110 [O-][N+](=O)c1ccccc1/C=C/c2ccncc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F13 compound treatment 3633184.834 -345000.0 -0.37 4148350.711 -115000.0 -0.12 -0.3492 -0.8893 3561933 PK04_181111 ONC(=O)CCCCCCC(=O)NOCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F14 compound treatment 4021742.081 43700.0 0.05 4775652.174 512000.0 0.53 0.4097 0.767 1679359 PK04_181112 OC(=O)CCCN1C(=O)CSC1=S 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F15 compound treatment 3725613.333 -252000.0 -0.27 4223280.193 -40400.0 -0.04 -0.2233 -0.8062 1020755 PK04_181113 O=C(C[n+]1ccc2ccccc2c1)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F16 compound treatment 3775839.623 -202000.0 -0.22 4268895.652 5170.0 0.01 -0.1512 -0.6896 3561934 PK04_181114 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F17 mock treatment 3577558.491 -401000.0 -0.43 4299180.258 35500.0 0.04 -0.281 -0.6448 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F18 mock treatment 3442755.725 -535000.0 -0.58 4164196.507 -99500.0 -0.1 -0.4836 -0.8202 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F19 compound treatment 3562986.842 -415000.0 -0.45 4141740.0 -122000.0 -0.13 -0.4079 -0.8724 3561936 PK04_181115 Brc1c2OCOc2ccc1C[n+]3ccc4ccccc4c3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F20 compound treatment 3704570.213 -274000.0 -0.3 4182813.131 -80900.0 -0.08 -0.2692 -0.8732 3561937 PK04_181116 COc1ccc(cc1)S(=O)(=O)Nc2ccccc2/C=C/c3ccncc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F21 compound treatment 3083436.0 -895000.0 -0.97 3595995.455 -668000.0 -0.69 -1.1767 -0.9865 3561939 PK04_181117 CC(C)(C)[Si](C)(C)Oc1ccc2cc[n+](Cc3ccccc3Br)cc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F22 compound treatment 3635171.103 -343000.0 -0.37 3806952.991 -457000.0 -0.47 -0.5986 -0.9927 1936946 PK04_181118 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F23 compound treatment 3563385.321 -415000.0 -0.45 3647702.703 -616000.0 -0.64 -0.7707 -0.985 3561940 PK04_181119 COc1ccc(Br)c(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 F24 compound treatment 3184990.698 -793000.0 -0.86 3282741.803 -981000.0 -1.02 -1.329 -0.9964 3561941 PK04_181120 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G01 compound treatment 4087347.656 109000.0 0.12 4741248.677 478000.0 0.5 0.4347 0.852 3561841 PK04_181121 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G02 compound treatment 4489887.097 512000.0 0.55 4573030.12 309000.0 0.32 0.6197 0.9663 3561943 PK04_181122 O=C1CSC(N1c2ccc(cc2)c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G03 mock treatment 4487400.99 509000.0 0.55 4844583.333 581000.0 0.6 0.8174 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G04 mock treatment 4462810.484 485000.0 0.53 4722180.905 458000.0 0.48 0.7086 0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G05 compound treatment 5027067.708 1050000.0 1.14 4934674.641 671000.0 0.7 1.2974 0.9724 PK04_181123 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G06 compound treatment 4421436.0 443000.0 0.48 5229591.954 966000.0 1.0 1.0498 0.9431 3561944 PK04_181124 CC(C)(C)c1ccc(cc1)N2C(SCC2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G07 compound treatment 4167100.437 189000.0 0.2 4950832.461 687000.0 0.71 0.6499 0.8747 PK04_181125 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G08 compound treatment 4433339.45 455000.0 0.49 4634385.281 371000.0 0.39 0.6215 0.9925 3561945 PK04_181126 CCOC(=O)/C=C(\C)/c1ccccc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G09 compound treatment 4403787.755 426000.0 0.46 4987505.682 724000.0 0.75 0.8584 0.9725 3561841 PK04_181127 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G10 compound treatment 4039086.124 61000.0 0.07 4921587.983 658000.0 0.68 0.5303 0.7719 3561947 PK04_181128 CCOC(=O)/C=C/c1c(OC)cccc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G11 compound treatment 3971265.537 -6810.0 -0.01 4403894.737 140000.0 0.15 0.0978 0.6704 3561899 PK04_181129 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G12 compound treatment 4399752.525 422000.0 0.46 4844810.811 581000.0 0.6 0.7504 0.9906 3561949 PK04_181130 CCCNC(=O)Cc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G13 compound treatment 3978049.08 -25.5 0.0 4290439.49 26700.0 0.03 0.0196 0.7064 3561950 PK04_181131 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)c6cccc(Cl)c6CO)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G14 compound treatment 4063043.478 85000.0 0.09 4369079.602 105000.0 0.11 0.1426 0.9963 3561952 PK04_181132 COc1cc(/C=C/CO)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G15 compound treatment 4172531.1 194000.0 0.21 4427885.609 164000.0 0.17 0.2697 0.9945 3561841 PK04_181133 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G16 compound treatment 4044644.86 66600.0 0.07 4331916.256 68200.0 0.07 0.1012 1.0 3561954 PK04_181134 COc1ccccc1/C=C/CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G17 compound treatment 4119275.424 141000.0 0.15 4637110.526 373000.0 0.39 0.3827 0.9173 3561956 PK04_181135 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4cccc(Cl)c4CO)C(=O)N(CC=C)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G18 compound treatment 4007829.06 29800.0 0.03 4179544.681 -84200.0 -0.09 -0.0391 -0.4188 3561958 PK04_181136 O=C1CS(=O)(=O)C(N1c2ccc(cc2)c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G19 mock treatment 4627391.304 649000.0 0.7 5099587.629 836000.0 0.87 1.1122 0.9946 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G20 mock treatment 4419672.811 442000.0 0.48 4947589.623 684000.0 0.71 0.8412 0.9815 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G21 compound treatment 3843502.392 -135000.0 -0.15 4087972.093 -176000.0 -0.18 -0.2323 -0.9938 3561959 PK04_181137 CC(CO)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O[C@@H]([C@@H](C)N(C)C(=O)CCC=C)c5ccccc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G22 compound treatment 3431050.228 -547000.0 -0.59 3770494.845 -493000.0 -0.51 -0.7819 -0.9974 3561961 PK04_181138 CC(C)(C)c1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G23 compound treatment 3354936.073 -623000.0 -0.68 4106362.694 -157000.0 -0.16 -0.5934 -0.8536 3561959 PK04_181139 CC(CO)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O[C@@H]([C@@H](C)N(C)C(=O)CCC=C)c5ccccc5)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 G24 compound treatment 3008105.085 -970000.0 -1.05 3278995.951 -985000.0 -1.02 -1.4674 -0.9999 2093329 PK04_181140 COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H01 compound treatment 4716128.079 738000.0 0.8 4553612.717 290000.0 0.3 0.7789 0.9109 3561962 PK04_181141 Brc1ccccc1C(=O)[n+]2ccc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H02 compound treatment 4578408.284 600000.0 0.65 5062814.371 799000.0 0.83 1.0476 0.9927 3561963 PK04_181142 COc1ccccc1/C=C/2\SC(=S)N(CCCC(=O)O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H03 mock treatment 4953858.639 976000.0 1.06 5525005.464 1260000.0 1.31 1.6751 0.9943 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H04 mock treatment 5168448.649 1190000.0 1.29 5524990.099 1260000.0 1.31 1.8397 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H05 compound treatment 4553397.959 575000.0 0.62 4597954.315 334000.0 0.35 0.6867 0.9618 3561965 PK04_181143 COc1cc2CC[N+](=Cc2cc1O[Si](C)(C)C(C)(C)C)Cc3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H06 compound treatment 4825516.129 847000.0 0.92 5425402.367 1160000.0 1.21 1.5035 0.9909 3561966 PK04_181144 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H07 compound treatment 4726205.263 748000.0 0.81 5148686.992 885000.0 0.92 1.224 0.998 3561968 PK04_181145 COc1cc2CC[N+](=Cc2cc1OC)C(=O)c3ccccc3Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H08 compound treatment 4737664.804 760000.0 0.82 4673630.705 410000.0 0.43 0.8836 0.9529 3561969 PK04_181146 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H09 compound treatment 3119045.714 -859000.0 -0.93 4661314.516 398000.0 0.41 -0.3664 -0.3596 3561971 PK04_181147 Oc1ccc2CCN(Cc3ccccc3Br)C(C=C)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H10 compound treatment 3752031.963 -226000.0 -0.25 3929953.846 -334000.0 -0.35 -0.4186 -0.9855 3561972 PK04_181148 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(O)(C4)C3)C5)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H11 compound treatment 4301025.974 323000.0 0.35 4438645.714 175000.0 0.18 0.3762 0.9534 3561974 PK04_181149 Brc1c[n+](Cc2ccccc2)cc3ccccc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H12 compound treatment 3555584.821 -422000.0 -0.46 4213547.872 -50200.0 -0.05 -0.3608 -0.7826 3561975 PK04_181150 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NCC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H13 compound treatment 3688732.24 -289000.0 -0.31 4180230.769 -83500.0 -0.09 -0.2832 -0.87 3561977 PK04_181151 COc1ccc(Br)c(C[n+]2cc(Br)c3ccccc3c2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H14 compound treatment 3870313.084 -108000.0 -0.12 4340293.194 76600.0 0.08 -0.0263 -0.1863 3561978 PK04_181152 COc1ccccc1/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H15 compound treatment 3739149.606 -239000.0 -0.26 4232809.302 -30900.0 -0.03 -0.2059 -0.7888 1003512 PK04_181153 C[n+]1ccc2ccccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H16 compound treatment 3478386.861 -500000.0 -0.54 3693881.041 -570000.0 -0.59 -0.8019 -0.999 3561980 PK04_181154 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H17 compound treatment 3868751.938 -109000.0 -0.12 4256676.856 -7050.0 -0.01 -0.089 -0.7494 1032420 PK04_181155 C(c1ccccc1)[n+]2ccc3ccccc3c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H18 compound treatment 3633759.259 -344000.0 -0.37 3966390.947 -297000.0 -0.31 -0.4825 -0.9956 3561982 PK04_181156 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H19 mock treatment 4472595.96 495000.0 0.54 3933925.373 -330000.0 -0.34 0.1368 0.2149 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H20 mock treatment 3548678.832 -429000.0 -0.47 4101450.644 -162000.0 -0.17 -0.4485 -0.9057 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H21 compound treatment 3678840.0 -299000.0 -0.32 3764288.557 -499000.0 -0.52 -0.5965 -0.9744 3561984 PK04_181157 COc1ccc(Br)c(C[n+]2ccc3ccccc3c2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H22 compound treatment 3109527.972 -869000.0 -0.94 3846593.607 -417000.0 -0.43 -0.9725 -0.938 3561985 PK04_181158 O=C1C=C[C@@H]2[C@@H]3C=C[C@H]([C@@H]2[C@]41CO4)[C@@]5(CO5)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H23 compound treatment 3081889.908 -896000.0 -0.97 3049325.359 -1210000.0 -1.26 -1.5796 -0.9916 3561987 PK04_181159 COc1ccc(Br)c(C[n+]2ccc3c(cccc3c2)[N+](=O)[O-])c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 H24 compound treatment 3075343.066 -903000.0 -0.98 3365957.198 -898000.0 -0.93 -1.352 -0.9997 3561988 PK04_181160 CC1(C)C[C@H]2C[C@H]3C(=C[C@]2(CO1)C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I01 compound treatment 3969109.17 -8970.0 -0.01 4051826.271 -212000.0 -0.22 -0.1626 -0.7376 3561956 PK04_181161 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4cccc(Cl)c4CO)C(=O)N(CC=C)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I02 compound treatment 4196061.453 218000.0 0.24 4480186.957 216000.0 0.22 0.3262 0.9997 3561990 PK04_181162 CCCNC(=O)Cc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I03 compound treatment 4006094.972 28000.0 0.03 3943913.043 -320000.0 -0.33 -0.2136 -0.6398 3561991 PK04_181163 OCc1c(Cl)cccc1N2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OCC=C)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I04 compound treatment 4191246.231 213000.0 0.23 4496581.522 233000.0 0.24 0.3346 0.9997 3561993 PK04_181164 COc1ccccc1/C(=C/CO)/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I05 mock treatment 4399646.226 422000.0 0.46 4417419.214 154000.0 0.16 0.4362 0.9008 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I06 mock treatment 4813931.818 836000.0 0.91 4550284.404 287000.0 0.3 0.8515 0.8925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I07 compound treatment 3376683.333 -601000.0 -0.65 3789573.46 -474000.0 -0.49 -0.8096 -0.9905 3561995 PK04_181165 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I08 compound treatment 4218943.925 241000.0 0.26 4035708.633 -228000.0 -0.24 0.0171 0.0485 3561996 PK04_181166 COc1ccccc1/C(=C/C=O)/C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I09 compound treatment 3586158.537 -392000.0 -0.42 3666740.157 -597000.0 -0.62 -0.7392 -0.9829 3561998 PK04_181167 OCc1c(Cl)cccc1N2[C@@H](C(=O)NCc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I10 compound treatment 3660466.368 -318000.0 -0.34 3787696.154 -476000.0 -0.49 -0.5934 -0.9843 2069262 PK04_181168 COc1cc(/C=C/C=O)cc(OC)c1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I11 compound treatment 3174674.797 -803000.0 -0.87 3260553.571 -1000000.0 -1.04 -1.3533 -0.996 3562000 PK04_181169 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4ccccc4Cl)C(=O)N(CC=C)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I12 compound treatment 3123120.93 -855000.0 -0.93 3430018.433 -834000.0 -0.87 -1.2682 -0.9994 3562002 PK04_181170 CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I13 compound treatment 3639761.029 -338000.0 -0.37 3777309.013 -486000.0 -0.51 -0.6169 -0.9876 3562003 PK04_181171 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccccc4)[C@@H]5C(=O)N(Cc6ccccc6)CC=C[C@]35O[C@@H]2/C=C/CCC(=O)N1C)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I14 compound treatment 3298701.695 -679000.0 -0.74 3560082.09 -704000.0 -0.73 -1.038 -1.0 3562005 PK04_181172 COc1cccc(OC)c1/C=C/CO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I15 compound treatment 3451716.102 -526000.0 -0.57 3540668.203 -723000.0 -0.75 -0.935 -0.9908 3562007 PK04_181173 CCCCNC(=O)[C@@H]1N(C2CCCCC2)C(=O)[C@H]3[C@@H]([C@H]4O[C@@]13C=C4)C(=O)OCC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I16 compound treatment 3330191.336 -648000.0 -0.7 3645068.182 -619000.0 -0.64 -0.9514 -0.999 3562009 PK04_181174 Clc1cccc(c1)N2C(SCC2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I17 compound treatment 3566330.739 -412000.0 -0.45 3805152.709 -459000.0 -0.48 -0.6527 -0.9995 3561995 PK04_181175 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I18 compound treatment 3999480.687 21400.0 0.02 3950647.321 -313000.0 -0.33 -0.2137 -0.655 3065130 PK04_181176 Clc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I19 compound treatment 3853178.082 -125000.0 -0.14 4082049.774 -182000.0 -0.19 -0.2293 -0.9867 3562010 PK04_181177 C[C@H]([C@H](OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4)c5ccccc5)N(C)C(=O)CCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I20 compound treatment 3714626.126 -263000.0 -0.29 4156396.739 -107000.0 -0.11 -0.2809 -0.9159 3562012 PK04_181178 OC/C=C/c1cccc(c1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I21 mock treatment 3989967.136 11900.0 0.01 3732788.0 -531000.0 -0.55 -0.3811 -0.6904 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I22 mock treatment 3495203.636 -483000.0 -0.52 3712130.081 -552000.0 -0.57 -0.7756 -0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I23 compound treatment 3865911.765 -112000.0 -0.12 3973440.367 -290000.0 -0.3 -0.2993 -0.9202 3562014 PK04_181179 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3C(=O)N([C@@H]4C(=O)N(Cc5ccccc5)CC=C[C@]34O[C@@H]2/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 I24 compound treatment 3168742.188 -809000.0 -0.88 3090930.403 -1170000.0 -1.22 -1.4825 -0.987 3215604 PK04_181180 O=C/1N(C(c2ccccc2)S(=O)(=O)\C1=C/c3ccc4ccccc4c3)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J01 compound treatment 3663027.273 -315000.0 -0.34 4957794.286 694000.0 0.72 0.2686 0.3365 3562016 PK04_181181 COc1ccc(Br)c(C[n+]2ccccc2C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J02 compound treatment 3850094.737 -128000.0 -0.14 4756894.231 493000.0 0.51 0.2643 0.4978 3562017 PK04_181182 OCCCCCCO[C@H]1C[C@H]2C(=C[C@]1(Br)C(=O)[C@@]32CO3)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J03 compound treatment 5103348.018 1130000.0 1.22 5040990.385 777000.0 0.81 1.434 0.98 3562019 PK04_181183 COc1ccc(Br)c(C[n+]2ccc3ccccc3c2C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J04 compound treatment 4648289.72 670000.0 0.73 4950190.955 686000.0 0.71 1.0184 1.0 3562020 PK04_181184 OCCCCO[C@H]1C[C@H]2C(=C[C@]1(Br)C(=O)[C@@]32CO3)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J05 mock treatment 4616921.182 639000.0 0.69 4961398.99 698000.0 0.73 1.0026 0.9997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J06 mock treatment 5008014.218 1030000.0 1.12 4886445.596 623000.0 0.65 1.2473 0.9664 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J07 compound treatment 4797654.545 820000.0 0.89 4307210.526 43500.0 0.05 0.6603 0.7421 3562022 PK04_181185 Cc1[n+](Cc2ccccc2)ccc3ccccc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J08 compound treatment 3000120.192 -978000.0 -1.06 2693577.982 -1570000.0 -1.63 -1.9038 -0.9782 3562023 PK04_181186 BrC1=C[C@@]2(Br)[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J09 compound treatment 4360122.363 382000.0 0.41 4078150.442 -186000.0 -0.19 0.1565 0.3425 3562025 PK04_181187 COc1ccc(Br)c(C[n+]2cccc3cc(OC)ccc23)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J10 compound treatment 3988786.667 10700.0 0.01 3707200.0 -557000.0 -0.58 -0.4008 -0.6928 3562026 PK04_181188 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@]2(Br)C(=O)[C@@]43CO4)Br 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J11 compound treatment 3959445.455 -18600.0 -0.02 4180663.793 -83100.0 -0.09 -0.0753 -0.8496 3562028 PK04_181189 COc1ccc(Br)c(C[N+]2=C(C)CCC2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J12 compound treatment 3196409.449 -782000.0 -0.85 3371742.739 -892000.0 -0.93 -1.2549 -0.999 3562029 PK04_181190 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccccc4)c5cc(ccc5F)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J13 compound treatment 3408515.873 -570000.0 -0.62 3271801.587 -992000.0 -1.03 -1.1657 -0.97 3562031 PK04_181191 COc1ccc(Br)c(CN2CCc3cc(OC)c(OC)cc3C2C#Cc4ccccc4)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J14 compound treatment 3090939.271 -887000.0 -0.96 3368773.756 -895000.0 -0.93 -1.3379 -0.9999 3562032 PK04_181192 COc1ccc(CCNC(=O)[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccccc4)c5cc(ccc5F)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J15 compound treatment 3744804.167 -233000.0 -0.25 3498955.752 -765000.0 -0.79 -0.7409 -0.8882 3562033 PK04_181193 COC(CN(Cc1cccc(OC)c1)S(=O)(=O)c2ccc(C)cc2)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J16 compound treatment 3252239.13 -726000.0 -0.79 3466064.516 -798000.0 -0.83 -1.1428 -0.9997 3562034 PK04_181194 COc1ccc(CCN2C(=O)C3(CC(=O)N(Cc4ccccc4)C3c5ccccc5)c6cc(ccc26)[N+](=O)[O-])cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J17 compound treatment 3628881.041 -349000.0 -0.38 3497486.381 -766000.0 -0.8 -0.8309 -0.9422 3562035 PK04_181195 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J18 compound treatment 2937123.711 -1040000.0 -1.13 3198543.103 -1070000.0 -1.11 -1.581 -1.0 3562036 PK04_181196 C[C@@]1(CCc2ccccc2)C[C@@H](C[Si](C)(C)C(c3ccccc3)c4ccccc4)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J19 compound treatment 3040983.444 -937000.0 -1.02 3214013.793 -1050000.0 -1.09 -1.49 -0.9994 3562038 PK04_181197 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C#Cc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J20 compound treatment 3328358.553 -650000.0 -0.7 3471086.643 -793000.0 -0.82 -1.0807 -0.997 3562039 PK04_181198 CCCCCCC1C[C@]2(CC[C@@H](CC2)C(C)(C)C)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J21 mock treatment 3340651.163 -637000.0 -0.69 3562528.517 -701000.0 -0.73 -1.0041 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J22 mock treatment 3320921.147 -657000.0 -0.71 3426229.323 -837000.0 -0.87 -1.1194 -0.9951 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J23 compound treatment 2948456.376 -1030000.0 -1.12 3080147.766 -1180000.0 -1.23 -1.6593 -0.9988 3562041 PK04_181199 COc1cc2CCN(CC=C)C(C#Cc3ccccc3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 J24 compound treatment 2798111.111 -1180000.0 -1.28 2961458.194 -1300000.0 -1.35 -1.8618 -0.9996 3562042 PK04_181200 Cc1ccc(cc1)C2C[C@]3(CC[C@@H](CC3)C(C)(C)C)OO2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K01 compound treatment 4045691.667 67600.0 0.07 4331992.806 68300.0 0.07 0.102 0.9999 3562010 PK04_181201 C[C@H]([C@H](OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4)c5ccccc5)N(C)C(=O)CCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K02 compound treatment 4349371.681 371000.0 0.4 4588608.333 325000.0 0.34 0.5235 0.9962 3215602 PK04_181202 Cc1c(NC(=O)/C(=C/c2ccc3ccccc3c2)/C#N)c(=O)n(c4ccccc4)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K03 compound treatment 4296971.963 319000.0 0.35 4271044.444 7320.0 0.01 0.2499 0.7225 3562044 PK04_181203 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K04 compound treatment 4502451.327 524000.0 0.57 4368942.982 105000.0 0.11 0.4794 0.8279 3562046 PK04_181204 COc1cccc(OC)c1/C=C/C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K05 compound treatment 4269261.111 291000.0 0.32 4540225.806 277000.0 0.29 0.4265 0.9989 2065615 PK04_181205 COc1ccc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K06 compound treatment 3902159.574 -75900.0 -0.08 4097314.554 -166000.0 -0.17 -0.1805 -0.9423 3562048 PK04_181206 Clc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K07 mock treatment 4777375.0 799000.0 0.87 4802735.683 539000.0 0.56 1.009 0.9777 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K08 mock treatment 3960065.744 -18000.0 -0.02 4792429.907 529000.0 0.55 0.3748 0.6816 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K09 compound treatment 4217959.35 240000.0 0.26 4655419.811 392000.0 0.41 0.4718 0.9766 3562049 PK04_181207 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC=C)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K10 compound treatment 3456977.273 -521000.0 -0.57 3777781.726 -486000.0 -0.51 -0.7567 -0.9984 3562051 PK04_181208 Clc1cccc(c1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K11 compound treatment 3796236.434 -182000.0 -0.2 4232284.585 -31400.0 -0.03 -0.1625 -0.8132 3562052 PK04_181209 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K12 compound treatment 3927640.678 -50400.0 -0.05 4478087.336 214000.0 0.22 0.1189 0.5182 3562054 PK04_181210 O=C1CSCN1c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K13 compound treatment 4342678.715 365000.0 0.4 4158127.753 -106000.0 -0.11 0.2019 0.4922 3562052 PK04_181211 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K14 compound treatment 3762037.313 -216000.0 -0.23 4301853.081 38100.0 0.04 -0.1376 -0.5792 1951450 PK04_181212 Cc1c(N2C(SCC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K15 mock treatment 4213412.556 235000.0 0.26 4133026.616 -131000.0 -0.14 0.0844 0.2919 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K16 mock treatment 3765461.538 -213000.0 -0.23 4219569.853 -44200.0 -0.05 -0.1955 -0.8316 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K17 compound treatment 1754456.522 -2220000.0 -2.41 2074912.281 -2190000.0 -2.28 -3.3136 -0.9996 3562052 PK04_181213 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K18 compound treatment 3977142.857 -932.0 0.0 4237277.154 -26400.0 -0.03 -0.0202 -0.7326 3562055 PK04_181214 CN1C(SCC1=O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K19 compound treatment 3301460.674 -677000.0 -0.73 3458770.213 -805000.0 -0.84 -1.1104 -0.9979 3562056 PK04_181215 COCOc1ccc2cc(Br)ccc2c1c3c(OCOC)ccc4cc(Br)ccc34 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K20 compound treatment 3846675.41 -131000.0 -0.14 4308750.0 45000.0 0.05 -0.0676 -0.4511 3562057 PK04_181216 O=C1CS(=O)(=O)CN1c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K21 compound treatment 2731899.408 -1250000.0 -1.35 1866344.444 -2400000.0 -2.49 -2.7174 -0.9587 3220192 PK04_181217 CC(CO)N1C2C(=O)N(Cc3ccccc3)CC=CC42OC5C=CCOC(=O)C5C4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K22 compound treatment 4009707.819 31600.0 0.03 3695207.12 -569000.0 -0.59 -0.3936 -0.6649 3562058 PK04_181218 CN1C(c2ccccc2)S(=O)(=O)CC1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K23 mock treatment 3797675.0 -180000.0 -0.2 3748995.833 -515000.0 -0.54 -0.5166 -0.9069 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 K24 mock treatment 3409516.892 -569000.0 -0.62 3359249.057 -904000.0 -0.94 -1.1007 -0.9791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L01 compound treatment 4140354.839 162000.0 0.18 4499803.922 236000.0 0.25 0.2979 0.9867 3562059 PK04_181219 COc1cc2CC[N+](=Cc2cc1OC)Cc3ccc(Br)cc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L02 compound treatment 4642788.732 665000.0 0.72 4884248.804 621000.0 0.64 0.9657 0.9985 3562060 PK04_181220 CCOC(=O)CCC1(C)C[C@]2(CC[C@@H](CC2)C(C)(C)C)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L03 compound treatment 3281617.647 -696000.0 -0.76 3374078.313 -890000.0 -0.92 -1.1878 -0.9949 3562062 PK04_181221 Cc1cc2ccccc2c[n+]1CCCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L04 compound treatment 4968087.5 990000.0 1.07 5292857.143 1030000.0 1.07 1.5154 1.0 3562063 PK04_181222 CC1(CCc2ccccc2)CC(CO)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L05 compound treatment 3540357.143 -438000.0 -0.47 3884238.71 -379000.0 -0.39 -0.6145 -0.9958 3562064 PK04_181223 COc1ccc(Br)c(C[n+]2cc3ccccc3cc2C)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L06 compound treatment 4588012.195 610000.0 0.66 5251532.609 988000.0 1.03 1.1937 0.9774 3562065 PK04_181224 CC(C)(C)[C@H]1CC[C@]2(CC(C)(CC(C)(C)CO)OO2)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L07 mock treatment 5143121.053 1170000.0 1.26 5528637.681 1260000.0 1.31 1.8229 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L08 mock treatment 4024799.308 46700.0 0.05 5067776.19 804000.0 0.84 0.6268 0.7486 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L09 compound treatment 4416103.448 438000.0 0.47 4740179.487 476000.0 0.5 0.686 0.9998 3562067 PK04_181225 CC1=[N+](C)C2C3CC=CC3C1c4ccccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L10 compound treatment 4811421.687 833000.0 0.9 4862108.911 598000.0 0.62 1.0787 0.9834 3562068 PK04_181226 CC(C)(C)[C@H]1CC[C@]2(CC(C)(CCO)OO2)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L11 compound treatment 4538950.0 561000.0 0.61 4240212.23 -23500.0 -0.02 0.4127 0.6781 1006359 PK04_181227 Cc1cccc[n+]1C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L12 compound treatment 3944718.033 -33400.0 -0.04 4245726.908 -18000.0 -0.02 -0.0388 -0.9529 3562070 PK04_181228 CC1(CCOCc2ccccc2)CC(C)(CCc3ccccc3)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L13 compound treatment 3888087.302 -90000.0 -0.1 4169429.825 -94300.0 -0.1 -0.1383 -1.0 3562071 PK04_181229 C[n+]1cc2ccccc2cc1C#N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L14 compound treatment 3825609.756 -152000.0 -0.17 3353462.5 -910000.0 -0.95 -0.7859 -0.8183 3562072 PK04_181230 COc1ccc(CN/2C(C3CC3)c4ccccc4C\C2=N\P(=O)(Oc5ccccc5)Oc6ccccc6)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L15 mock treatment 4390341.88 412000.0 0.45 4176405.316 -87300.0 -0.09 0.2519 0.5523 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L16 mock treatment 3825121.673 -153000.0 -0.17 3984016.0 -280000.0 -0.29 -0.3228 -0.9646 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L17 compound treatment 3669707.224 -308000.0 -0.33 3824181.132 -440000.0 -0.46 -0.5595 -0.9882 3562074 PK04_181231 CCCCOC1CC2[N+](=C(C)C1c3ccccc23)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L18 compound treatment 3518237.762 -460000.0 -0.5 3854346.715 -409000.0 -0.43 -0.6534 -0.9969 3562075 PK04_181232 CCCCCCC1C[C@]2(CCC[C@@H](C)C2)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L19 compound treatment 3966370.37 -11700.0 -0.01 5261193.333 997000.0 1.04 0.7241 0.6984 3188663 PK04_181233 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L20 compound treatment 3956743.59 -21300.0 -0.02 4128876.667 -135000.0 -0.14 -0.1155 -0.8128 3562077 PK04_181234 CC1(CCO)CC(C)(CCc2ccccc2)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L21 compound treatment 3363600.823 -614000.0 -0.67 3365537.705 -898000.0 -0.93 -1.1313 -0.9863 3070955 PK04_181235 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L22 compound treatment 3554434.932 -424000.0 -0.46 3640474.522 -623000.0 -0.65 -0.7829 -0.9858 3562078 PK04_181236 COC(=O)CC1(C)CC(C)(CCc2ccccc2)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L23 mock treatment 3612882.784 -365000.0 -0.4 3355680.0 -908000.0 -0.94 -0.9474 -0.9256 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 L24 mock treatment 3505161.871 -473000.0 -0.51 3415164.0 -849000.0 -0.88 -0.9862 -0.9667 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M01 compound treatment 1523708.333 -2450000.0 -2.66 1643209.302 -2620000.0 -2.72 -3.8078 -0.9999 3562079 PK04_181237 CC(C)(C)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C\COC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M02 compound treatment 3065754.237 -912000.0 -0.99 3689904.762 -574000.0 -0.6 -1.1212 -0.9707 3562081 PK04_181238 Clc1ccccc1/C=C/C=C\2/C(=O)N(CS2(=O)=O)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M03 compound treatment 3388743.945 -589000.0 -0.64 3718750.0 -545000.0 -0.57 -0.8524 -0.9982 3562049 PK04_181239 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC=C)C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M04 compound treatment 2747786.207 -1230000.0 -1.33 2377094.444 -1890000.0 -1.96 -2.3299 -0.9824 3562083 PK04_181240 CN1C(c2ccccc2)S(=O)(=O)/C(=C\C=C\c3ccccc3Cl)/C1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M05 compound treatment 3551257.143 -427000.0 -0.46 3700841.27 -563000.0 -0.59 -0.7409 -0.9933 3562085 PK04_181241 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M06 compound treatment 3541755.396 -436000.0 -0.47 4001956.044 -262000.0 -0.27 -0.5269 -0.9655 1053847 PK04_181242 O=C1CSC(N1c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M07 compound treatment 3424163.121 -554000.0 -0.6 3799672.0 -464000.0 -0.48 -0.7657 -0.9941 3562085 PK04_181243 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M08 compound treatment 3128996.815 -849000.0 -0.92 4054434.579 -209000.0 -0.22 -0.8048 -0.8508 3562087 PK04_181244 COc1ccccc1/C=C/C=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M09 mock treatment 3425097.561 -553000.0 -0.6 4126273.913 -137000.0 -0.14 -0.525 -0.8517 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M10 mock treatment 3435505.792 -543000.0 -0.59 3649492.063 -614000.0 -0.64 -0.8674 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M11 compound treatment 2941395.437 -1040000.0 -1.12 3267749.02 -996000.0 -1.04 -1.5268 -0.9992 3562085 PK04_181245 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M12 compound treatment 3319976.563 -658000.0 -0.71 3280857.708 -983000.0 -1.02 -1.2269 -0.9846 3562088 PK04_181246 O=C1CS(=O)(=O)C(N1c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M13 mock treatment 2912600.61 -1070000.0 -1.16 3569800.0 -694000.0 -0.72 -1.3269 -0.9743 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M14 mock treatment 3070985.866 -907000.0 -0.98 3485792.115 -778000.0 -0.81 -1.2672 -0.9953 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M15 compound treatment 3375553.435 -603000.0 -0.65 3403491.525 -860000.0 -0.89 -1.0942 -0.9881 3562089 PK04_181247 CCCCCNC(=O)[C@@H]1N(C(=O)[C@H]2[C@@H]([C@H]3O[C@@]12C=C3)C(=O)OCC)c4ccccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M16 compound treatment 3326553.506 -652000.0 -0.71 3371381.679 -892000.0 -0.93 -1.1554 -0.991 2118235 PK04_181248 [O-][N+](=O)c1cccc(/C=C/C=O)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M17 compound treatment 3288749.129 -689000.0 -0.75 3369258.303 -894000.0 -0.93 -1.1859 -0.9941 3562089 PK04_181249 CCCCCNC(=O)[C@@H]1N(C(=O)[C@H]2[C@@H]([C@H]3O[C@@]12C=C3)C(=O)OCC)c4ccccc4Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M18 compound treatment 3369011.029 -609000.0 -0.66 3285107.639 -979000.0 -1.02 -1.1862 -0.9781 3562090 PK04_181250 CC(C)Cc1ccc(/C=C/C=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M19 compound treatment 3460870.748 -517000.0 -0.56 3347315.789 -916000.0 -0.95 -1.0701 -0.9681 3561852 PK04_181251 CCOC(=O)C1C2OC3(C=C2)C(N(C(=O)C13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M20 compound treatment 3497866.109 -480000.0 -0.52 3339543.21 -924000.0 -0.96 -1.0474 -0.9586 3215597 PK04_181252 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3cccc(c3)[N+](=O)[O-])S2(=O)=O)c4cc(C)cc(C)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M21 compound treatment 2378685.59 -1600000.0 -1.73 1803239.437 -2460000.0 -2.56 -3.0346 -0.9821 3562092 PK04_181253 O=C1C2C3C(OC42C=CCN(Cc5ccccc5)C(=O)C4N1C6CCCCC6)C=CCOC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M22 compound treatment 3180602.151 -797000.0 -0.86 2940195.219 -1320000.0 -1.38 -1.5842 -0.975 3562093 PK04_181254 CCOc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M23 compound treatment 2825484.95 -1150000.0 -1.25 2665548.148 -1600000.0 -1.66 -2.0583 -0.9902 3562094 PK04_181255 O=C1C2C3C4OC2(C=C4)C(N1C5CCCCC5)C(=O)N(Cc6ccccc6)CCCCOC3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 M24 compound treatment 2575682.594 -1400000.0 -1.52 2560884.106 -1700000.0 -1.77 -2.3267 -0.9971 3562095 PK04_181256 Cc1cc(C)cc(c1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N01 compound treatment 3069930.0 -908000.0 -0.98 3409196.653 -855000.0 -0.89 -1.3243 -0.9987 3188533 PK04_181257 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N02 compound treatment 3878725.275 -99300.0 -0.11 4447873.303 184000.0 0.19 0.0592 0.2694 3562096 PK04_181258 CC1(CCc2ccccc2)CC(C)(CC(=O)O)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N03 compound treatment 4109171.429 131000.0 0.14 4528792.453 265000.0 0.28 0.2953 0.9526 3562097 PK04_181259 C=C/C=C/[C@H]1[C@@H]2[C@H](Cc3ccccc3)OC(=O)[C@H](Cc4ccccc4)N2CC1=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N04 compound treatment 4423723.81 446000.0 0.48 4095090.164 -169000.0 -0.18 0.2177 0.4236 3562099 PK04_181260 CC1(CCOCc2ccccc2)CC(C)(COCc3ccccc3)OO1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N05 compound treatment 4157613.821 180000.0 0.19 3909076.923 -355000.0 -0.37 -0.123 -0.2951 3562100 PK04_181261 Cn1c(=O)n2[C@H]3[C@@H]4[C@H](Cc5ccccc5)OC(=O)[C@H](Cc6ccccc6)N4CC3=C[C@@H](C7CC7)n2c1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N06 compound treatment 3638714.286 -339000.0 -0.37 3967655.172 -296000.0 -0.31 -0.4778 -0.9961 3562102 PK04_181262 C[C@@H]1CCC[C@]2(CC(C)(CCOCc3ccccc3)OO2)C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N07 compound treatment 3610491.803 -368000.0 -0.4 4162581.59 -101000.0 -0.11 -0.3562 -0.8641 3562104 PK04_181263 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3[C@H]1Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N08 compound treatment 4360343.434 382000.0 0.41 3796436.426 -467000.0 -0.49 -0.0504 -0.0789 3562106 PK04_181264 CC1(C)O[C@]2(C)CC[C@@H]1OO2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N09 mock treatment 4494061.611 516000.0 0.56 4367157.658 103000.0 0.11 0.4716 0.8278 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N10 mock treatment 4278689.815 301000.0 0.33 3993519.38 -270000.0 -0.28 0.0319 0.0741 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N11 compound treatment 3163635.379 -814000.0 -0.88 3675111.111 -589000.0 -0.61 -1.057 -0.9839 3188666 PK04_181265 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N12 compound treatment 3802468.468 -176000.0 -0.19 3830267.442 -433000.0 -0.45 -0.4532 -0.9266 3562108 PK04_181266 CC[C@]1(CC[C@@H]2OO1)OC2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N13 mock treatment 3499618.834 -478000.0 -0.52 3623922.535 -640000.0 -0.67 -0.8371 -0.9925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N14 mock treatment 3534126.354 -444000.0 -0.48 3462179.153 -802000.0 -0.83 -0.9295 -0.966 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N15 compound treatment 2918867.347 -1060000.0 -1.15 3470795.276 -793000.0 -0.82 -1.3949 -0.9868 3188536 PK04_181267 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N16 compound treatment 3434339.768 -544000.0 -0.59 3909986.607 -354000.0 -0.37 -0.6769 -0.9742 3562110 PK04_181268 CCC[C@]1(CC[C@@H]2OO1)OC2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N17 compound treatment 3146793.75 -831000.0 -0.9 3224340.58 -1040000.0 -1.08 -1.4013 -0.9959 3188535 PK04_181269 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N18 compound treatment 2955262.295 -1020000.0 -1.11 3491205.575 -773000.0 -0.8 -1.352 -0.9874 3562112 PK04_181270 CC1(C)O[C@]2(CCc3ccccc3)CC[C@@H]1OO2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N19 compound treatment 2834633.987 -1140000.0 -1.24 3400643.636 -863000.0 -0.9 -1.511 -0.9874 3070940 PK04_181271 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N20 compound treatment 3302992.674 -675000.0 -0.73 3091342.373 -1170000.0 -1.22 -1.3793 -0.9703 3562114 PK04_181272 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N21 compound treatment 3048541.985 -930000.0 -1.01 2825675.0 -1440000.0 -1.49 -1.7696 -0.9816 3188534 PK04_181273 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N22 compound treatment 2765989.865 -1210000.0 -1.31 3065239.382 -1200000.0 -1.25 -1.8102 -0.9996 3562115 PK04_181274 CC(C)(C)[C@H]1CC[C@]2(CC(C[Si](C)(C)C)OO2)CC1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N23 compound treatment 2714265.233 -1260000.0 -1.37 2814170.732 -1450000.0 -1.51 -2.0343 -0.9989 3562117 PK04_181275 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 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 N24 compound treatment 2589166.038 -1390000.0 -1.51 2723960.938 -1540000.0 -1.6 -2.1966 -0.9995 1004341 PK04_181276 c1ccc2cnccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O01 compound treatment 3155433.198 -823000.0 -0.89 3232407.843 -1030000.0 -1.07 -1.3887 -0.9958 3562118 PK04_181277 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)c4cccc(Cl)c4CO)C(=O)NCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O02 compound treatment 3653582.96 -324000.0 -0.35 3483254.167 -780000.0 -0.81 -0.8224 -0.9301 3562120 PK04_181278 CCOc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O03 compound treatment 3690776.923 -287000.0 -0.31 3556215.909 -708000.0 -0.74 -0.7403 -0.9269 3562122 PK04_181279 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O04 compound treatment 3544796.38 -433000.0 -0.47 3685893.878 -578000.0 -0.6 -0.7569 -0.9926 3562124 PK04_181280 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3cccc(c3)[N+](=O)[O-])S2(=O)=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O05 compound treatment 3329897.163 -648000.0 -0.7 3460055.351 -804000.0 -0.84 -1.0876 -0.9963 3562122 PK04_181281 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O06 compound treatment 3410823.293 -567000.0 -0.62 3149889.328 -1110000.0 -1.16 -1.2535 -0.9562 3562126 PK04_181282 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4cc(C)cc(C)c4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O07 compound treatment 3021389.474 -957000.0 -1.04 3078152.416 -1190000.0 -1.23 -1.6048 -0.9963 3562128 PK04_181283 CCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)C(C)(C)C)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O08 compound treatment 3330453.441 -648000.0 -0.7 3145164.122 -1120000.0 -1.16 -1.3186 -0.9708 3215600 PK04_181284 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O09 compound treatment 3702452.991 -276000.0 -0.3 3417586.081 -846000.0 -0.88 -0.8332 -0.897 3562128 PK04_181285 CCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)C(C)(C)C)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O10 compound treatment 3555548.523 -423000.0 -0.46 3606505.576 -657000.0 -0.68 -0.807 -0.9811 3562130 PK04_181286 OCCSCC(O)CC(O)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O11 mock treatment 3496045.833 -482000.0 -0.52 3880183.908 -384000.0 -0.4 -0.6515 -0.9911 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O12 mock treatment 3735270.142 -243000.0 -0.26 3862066.667 -402000.0 -0.42 -0.4814 -0.9753 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O13 compound treatment 3378972.656 -599000.0 -0.65 3617003.745 -647000.0 -0.67 -0.9346 -0.9999 3561848 PK04_181287 CCCCCN1C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C1=O)c5ccccc5Cl)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O14 compound treatment 4152806.452 175000.0 0.19 3663735.931 -600000.0 -0.62 -0.307 -0.471 3562131 PK04_181288 OC(CSc1ccncc1)CC(O)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O15 compound treatment 3357501.946 -621000.0 -0.67 3589649.057 -674000.0 -0.7 -0.9712 -0.9998 3562132 PK04_181289 C[C@H](C(O)c1ccccc1)N(C)C(=O)CCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O16 compound treatment 3644624.573 -333000.0 -0.36 3625723.881 -638000.0 -0.66 -0.7246 -0.9593 3562134 PK04_181290 COC(=O)CCCCCCC(=O)Nc1ccc(C=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O17 compound treatment 3240909.091 -737000.0 -0.8 3536694.545 -727000.0 -0.76 -1.0995 -0.9996 3562132 PK04_181291 C[C@H](C(O)c1ccccc1)N(C)C(=O)CCC=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O18 compound treatment 3261270.588 -717000.0 -0.78 3014302.583 -1250000.0 -1.3 -1.4679 -0.9699 3562135 PK04_181292 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3ccccn3)CC(O2)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O19 compound treatment 3475026.82 -503000.0 -0.55 3190539.007 -1070000.0 -1.12 -1.1744 -0.9458 3561921 PK04_181293 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O20 compound treatment 3130316.602 -848000.0 -0.92 3464969.697 -799000.0 -0.83 -1.237 -0.9987 3562136 PK04_181294 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc4ccccc4s3)CC(O2)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O21 compound treatment 3268514.493 -710000.0 -0.77 3223084.507 -1040000.0 -1.08 -1.3089 -0.9861 3561921 PK04_181295 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O22 compound treatment 3404984.026 -573000.0 -0.62 3221134.752 -1040000.0 -1.08 -1.2057 -0.9652 3562137 PK04_181296 OC(CC=C)c1ccc(cc1)[N+](=O)[O-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O23 compound treatment 3100694.853 -877000.0 -0.95 3034754.967 -1230000.0 -1.28 -1.5759 -0.9895 3561921 PK04_181297 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 O24 compound treatment 3079912.134 -898000.0 -0.97 2994936.102 -1270000.0 -1.32 -1.6211 -0.9889 3562138 PK04_181298 CC(C)(C)OC(=O)OC(CC=C)c1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P01 compound treatment 3527107.296 -451000.0 -0.49 3019479.508 -1240000.0 -1.29 -1.2602 -0.9115 3562139 PK04_181299 COC(=O)C1(CCCCC1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P02 compound treatment 3959134.884 -18900.0 -0.02 4433750.0 170000.0 0.18 0.1104 0.6208 1015751 PK04_181300 Cc1ccncc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P03 compound treatment 3986955.752 8880.0 0.01 3461319.838 -802000.0 -0.83 -0.5829 -0.6989 3562141 PK04_181301 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@H](/C=C/C3CC3)[C@@H](O)Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P04 compound treatment 3839706.14 -138000.0 -0.15 3743297.872 -520000.0 -0.54 -0.4886 -0.8704 3562143 PK04_181302 COc1cc2CCN(=Cc2cc1OC)Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P05 compound treatment 3365239.057 -613000.0 -0.66 3788257.576 -475000.0 -0.49 -0.8193 -0.9894 3562144 PK04_181303 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=CCCC=C[C@H]4[C@@H]3[C@@H](O)Cc5ccccc5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P06 compound treatment 3336710.526 -641000.0 -0.7 3995561.475 -268000.0 -0.28 -0.6888 -0.9194 1024512 PK04_181304 COc1cc2CCN=C(C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P07 compound treatment 2950279.31 -1030000.0 -1.11 3203775.281 -1060000.0 -1.1 -1.567 -1.0 3562146 PK04_181305 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3C51CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P08 compound treatment 3671288.372 -307000.0 -0.33 3364173.333 -900000.0 -0.94 -0.8964 -0.9032 3562148 PK04_181306 COc1cc2CC(C)N(=Cc2cc1OC)Cl 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P09 compound treatment 2235546.185 -1740000.0 -1.89 2359302.521 -1900000.0 -1.98 -2.7357 -0.9997 3562149 PK04_181307 COC(=O)C1(CCCC1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P10 compound treatment 2966505.415 -1010000.0 -1.1 3054017.361 -1210000.0 -1.26 -1.6647 -0.9977 1003512 PK04_181308 C[n+]1ccc2ccccc2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P11 mock treatment 3359591.27 -618000.0 -0.67 3500100.0 -764000.0 -0.79 -1.0354 -0.9965 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P12 mock treatment 3006670.37 -971000.0 -1.05 3576095.057 -688000.0 -0.71 -1.2502 -0.9822 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P13 compound treatment 2956182.171 -1020000.0 -1.11 3286670.37 -977000.0 -1.02 -1.5016 -0.9991 3562151 PK04_181309 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3C[C@](C)(OC)O[C@@H](Cc4ccccc4)[C@H]3/C=C/C5CC5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P14 compound treatment 3055521.739 -923000.0 -1.0 3474747.292 -789000.0 -0.82 -1.2872 -0.9951 1009497 PK04_181310 Cc1cc[n+](C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P15 compound treatment 2668578.947 -1310000.0 -1.42 2826210.714 -1440000.0 -1.49 -2.0605 -0.9997 3562153 PK04_181311 COC(=O)[C@@H]1N[C@H](SC1(C)C)[C@@H]2N(CC#C)[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P16 compound treatment 2902500.0 -1080000.0 -1.17 3426275.0 -837000.0 -0.87 -1.4401 -0.9896 1023898 PK04_181312 COc1cc2CC[N+](=Cc2cc1OC)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P17 compound treatment 2840849.315 -1140000.0 -1.23 3064706.271 -1200000.0 -1.25 -1.7531 -1.0 3562155 PK04_181313 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC(=C[C@@H]3[C@@H](O)Cc4ccccc4)/C=C/C5CC5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P18 compound treatment 2543180.645 -1430000.0 -1.56 2954812.5 -1310000.0 -1.36 -2.0621 -0.9978 1071838 PK04_181314 COc1cc2CC[N+](=C(C)c2cc1OC)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P19 compound treatment 2967369.565 -1010000.0 -1.1 2904585.987 -1360000.0 -1.41 -1.7738 -0.9921 3562157 PK04_181315 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)C41CCCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P20 compound treatment 3038202.532 -940000.0 -1.02 2926407.643 -1340000.0 -1.39 -1.7035 -0.9884 1023900 PK04_181316 COc1cc2CC(C)[N+](=Cc2cc1OC)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P21 compound treatment 2612113.712 -1370000.0 -1.48 2750377.289 -1510000.0 -1.57 -2.1595 -0.9995 3562159 PK04_181317 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=C[C@@H](C5CC5)n6n(C4[C@@H]3[C@@H](O)Cc7ccccc7)c(=O)n(C)c6=O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P22 compound treatment 2588914.397 -1390000.0 -1.51 2734093.19 -1530000.0 -1.59 -2.1893 -0.9996 1107245 PK04_181318 COc1ccc(C[n+]2ccc3ccccc3c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P23 compound treatment 2085648.045 -1890000.0 -2.05 1978225.641 -2290000.0 -2.38 -3.1307 -0.9973 3562161 PK04_181319 CC(=CCc1cc(/C=C/2\OC(=O)C(=C2O)c3cc4CCC(C)(C)Oc4cc3O)ccc1O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2181 P24 compound treatment 2679617.778 -1300000.0 -1.41 2608605.178 -1660000.0 -1.72 -2.212 -0.995 3562163 PK04_181320 COc1ccc(C[n+]2ccc(C)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A01 compound treatment 3662081.633 -543000.0 -0.59 3250530.055 -616000.0 -0.64 -0.8693 -0.9991 3188923 BCB03_000640 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A02 compound treatment 3823120.0 -382000.0 -0.41 3557865.672 -309000.0 -0.32 -0.5199 -0.9919 3563114 BCB03_000641 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C)c3ccccc3C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A03 compound treatment 3667060.976 -538000.0 -0.58 3307052.023 -559000.0 -0.58 -0.8239 -1.0 3071127 BCB03_000642 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A04 compound treatment 3972073.684 -233000.0 -0.25 3662786.667 -204000.0 -0.21 -0.3286 -0.996 3563115 BCB03_000643 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C)c4ccccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A05 compound treatment 3781712.919 -424000.0 -0.46 3600294.737 -266000.0 -0.28 -0.5205 -0.9705 3071425 BCB03_000644 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A06 compound treatment 3142845.161 -1060000.0 -1.15 2876909.091 -989000.0 -1.03 -1.5419 -0.9984 3563116 BCB03_000645 COc1ccc(CN/2C(C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A07 compound treatment 3811425.121 -394000.0 -0.43 3361886.256 -505000.0 -0.52 -0.6729 -0.9948 3215868 BCB03_000646 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A08 compound treatment 3677500.0 -528000.0 -0.57 3549712.389 -317000.0 -0.33 -0.6375 -0.9655 3563118 BCB03_000647 COc1ccc(CN2CCc3ccccc3C2C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A09 compound treatment 3118682.292 -1090000.0 -1.18 3121902.062 -744000.0 -0.77 -1.3804 -0.9792 3215866 BCB03_000648 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A10 compound treatment 3493067.708 -712000.0 -0.77 3468480.176 -398000.0 -0.41 -0.8386 -0.9571 3563119 BCB03_000649 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C=C)c3ccccc3C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A11 compound treatment 3725490.385 -480000.0 -0.52 3321363.229 -545000.0 -0.57 -0.7686 -0.9991 3070999 BCB03_000650 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A12 compound treatment 3210463.964 -995000.0 -1.08 3543921.466 -322000.0 -0.34 -0.9999 -0.8851 3563120 BCB03_000651 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C=C)c4ccccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A13 mock treatment 3913278.607 -292000.0 -0.32 3577762.295 -289000.0 -0.3 -0.4362 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A14 mock treatment 4047495.0 -158000.0 -0.17 3262006.993 -604000.0 -0.63 -0.5653 -0.8682 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A15 compound treatment 2989483.871 -1220000.0 -1.32 3053131.818 -813000.0 -0.85 -1.53 -0.9769 3071000 BCB03_000652 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)CCc3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A16 compound treatment 3005846.591 -1200000.0 -1.3 2834617.143 -1030000.0 -1.07 -1.6781 -0.9954 3563121 BCB03_000653 COc1ccc(CN/2C(C=C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A17 compound treatment 3504663.317 -701000.0 -0.76 2835522.556 -1030000.0 -1.07 -1.295 -0.9858 3188676 BCB03_000654 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A18 compound treatment 3029503.937 -1180000.0 -1.28 2948516.129 -918000.0 -0.95 -1.5762 -0.9898 3563123 BCB03_000655 COc1ccc(CN2CCc3ccccc3C2C=C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A19 compound treatment 3430572.139 -775000.0 -0.84 3048707.627 -818000.0 -0.85 -1.1951 -1.0 3188677 BCB03_000656 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A20 compound treatment 3088578.723 -1120000.0 -1.21 3098551.02 -768000.0 -0.8 -1.4207 -0.9795 3563124 BCB03_000657 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C3CC3)c4ccccc4C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A21 compound treatment 2841003.831 -1360000.0 -1.48 3037216.59 -829000.0 -0.86 -1.6555 -0.9669 3188788 BCB03_000658 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A22 compound treatment 2854202.586 -1350000.0 -1.47 2630515.504 -1240000.0 -1.28 -1.9443 -0.9979 3563125 BCB03_000659 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C4CC4)c5ccccc25 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A23 compound treatment 3094771.552 -1110000.0 -1.2 2947175.966 -919000.0 -0.96 -1.5272 -0.9934 3071005 BCB03_000660 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 A24 compound treatment 1954713.004 -2250000.0 -2.44 2229470.588 -1640000.0 -1.7 -2.9287 -0.9845 3563121 BCB03_000661 COc1ccc(CN/2C(C=C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B01 compound treatment 4459525.0 254000.0 0.28 4649979.487 784000.0 0.81 0.7707 0.8964 3216005 BCB03_000662 CN1C(=O)[C@@H]2C[C@]/3(C)OC[C@H]([C@@H]2C1=O)\C3=C/c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B02 compound treatment 5163628.141 958000.0 1.04 5208740.26 1340000.0 1.4 1.7212 0.9895 3614372 BCB03_000663 CCCNc1ncnc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B03 compound treatment 4796273.973 591000.0 0.64 4487737.991 621000.0 0.65 0.9096 1.0 3216013 BCB03_000664 CN1C(=O)[C@@H]2C[C@]/3(COc4ccccc4)OC[C@H]([C@@H]2C1=O)\C3=C/c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B04 compound treatment 5306895.522 1100000.0 1.19 4085895.735 220000.0 0.23 1.0058 0.8272 3614373 BCB03_000665 CC(C)(C)OC(=O)NCCOCCOCCNc1ncnc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B05 compound treatment 4382869.11 177000.0 0.19 4175845.304 309000.0 0.32 0.3635 0.9698 3614374 BCB03_000666 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5cccc(COC(=O)NCc6cccc(Cl)c6)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B06 compound treatment 3669817.568 -536000.0 -0.58 3578629.139 -288000.0 -0.3 -0.6222 -0.9524 3614376 BCB03_000667 CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B07 compound treatment 4193509.804 -12000.0 -0.01 4105619.048 239000.0 0.25 0.1667 0.6693 3614378 BCB03_000668 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5cccc(COC(=O)NCC#C)c5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B08 compound treatment 5807765.0 1600000.0 1.74 5565357.143 1700000.0 1.77 2.4772 1.0 3614380 BCB03_000669 Oc1ccc2ncnc(NCc3ccccc3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B09 compound treatment 3558011.858 -647000.0 -0.7 3823656.25 -42700.0 -0.04 -0.5278 -0.7503 3614381 BCB03_000670 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)c8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B10 compound treatment 4333347.032 128000.0 0.14 3623424.779 -243000.0 -0.25 -0.0805 -0.2795 3614383 BCB03_000671 ONC(=O)/C=C/c1ccc(OCCc2cccs2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B11 compound treatment 3999278.761 -206000.0 -0.22 3811690.265 -54700.0 -0.06 -0.1983 -0.8596 3614385 BCB03_000672 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)c8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B12 compound treatment 4327806.763 122000.0 0.13 4675991.525 810000.0 0.84 0.6888 0.8086 3614386 BCB03_000673 ONC(=O)/C=C/c1ccc(OCc2ccc-3c(Cc4ccccc43)c2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B13 mock treatment 4370806.452 165000.0 0.18 4453666.667 587000.0 0.61 0.5584 0.8777 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B14 mock treatment 4187678.571 -17800.0 -0.02 4147475.962 281000.0 0.29 0.193 0.659 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B15 compound treatment 3945686.869 -260000.0 -0.28 3914882.653 48500.0 0.05 -0.1635 -0.5715 3614388 BCB03_000674 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@@H](CO)NC(=O)N[C@H](Cc7ccccc7)c8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B16 compound treatment 3993935.622 -212000.0 -0.23 3154548.701 -712000.0 -0.74 -0.6854 -0.8848 3614389 BCB03_000675 ONC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B17 compound treatment 3603969.298 -602000.0 -0.65 3686465.116 -180000.0 -0.19 -0.5934 -0.8746 3614391 BCB03_000676 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@@H](CO)NC(=O)N[C@@H](Cc7ccccc7)c8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B18 compound treatment 3034572.093 -1170000.0 -1.27 3251652.174 -615000.0 -0.64 -1.3495 -0.9495 3614392 BCB03_000677 ONC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B19 compound treatment 3271707.51 -934000.0 -1.01 3385961.165 -480000.0 -0.5 -1.069 -0.947 3556401 BCB03_000678 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B20 compound treatment 3392401.674 -813000.0 -0.88 2977862.069 -889000.0 -0.92 -1.2764 -0.9997 3614394 BCB03_000679 Nc1cccc(COc2ccc(/C=C/C(=O)NO)cc2)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B21 compound treatment 3020354.386 -1190000.0 -1.28 3349032.864 -517000.0 -0.54 -1.2889 -0.9253 3556405 BCB03_000680 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B22 compound treatment 3294523.605 -911000.0 -0.99 2685145.749 -1180000.0 -1.23 -1.5666 -0.9942 3614396 BCB03_000681 ONC(=O)/C=C/c1ccc(OCCCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B23 compound treatment 3316677.419 -889000.0 -0.96 2911097.744 -955000.0 -0.99 -1.3835 -0.9999 3556409 BCB03_000682 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 B24 compound treatment 3060236.735 -1150000.0 -1.24 3011798.995 -855000.0 -0.89 -1.5061 -0.9865 3614398 BCB03_000683 ONC(=O)/C=C/c1ccc(OCCCCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C01 compound treatment 4117957.547 -87500.0 -0.09 3688125.561 -178000.0 -0.19 -0.1981 -0.9517 3188790 BCB03_000684 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C02 compound treatment 4448019.139 243000.0 0.26 4216251.429 350000.0 0.36 0.4431 0.9873 3563126 BCB03_000685 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C)C=C(C)C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C03 compound treatment 4530719.388 325000.0 0.35 4046730.088 180000.0 0.19 0.3819 0.9563 3188791 BCB03_000686 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C04 compound treatment 3859772.358 -346000.0 -0.37 3609592.357 -257000.0 -0.27 -0.4538 -0.9862 3563127 BCB03_000687 COc1ccc(CN/2C(C)C=C(C)C\C2=N\P(=O)(Oc3ccccc3)Oc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C05 compound treatment 4384176.471 179000.0 0.19 4015400.901 149000.0 0.15 0.2465 0.9938 3071437 BCB03_000688 OB1OC(CCc2ccccc2)CC=C1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C06 compound treatment 4026923.497 -179000.0 -0.19 3773038.674 -93300.0 -0.1 -0.2055 -0.949 3563129 BCB03_000689 COc1ccc(CN2C(C)C3C4C(C2C=C3C)C(=O)N(C)C4=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C07 compound treatment 3404634.409 -801000.0 -0.87 3217426.036 -649000.0 -0.67 -1.091 -0.9922 3071483 BCB03_000690 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C08 compound treatment 4075361.111 -130000.0 -0.14 3901465.347 35100.0 0.04 -0.074 -0.5077 3563130 BCB03_000691 COc1ccc(CN2CCC(=CC2C)C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C09 compound treatment 3980930.0 -225000.0 -0.24 3676276.316 -190000.0 -0.2 -0.3119 -0.9946 3071486 BCB03_000692 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C10 compound treatment 3833870.27 -372000.0 -0.4 3318779.592 -548000.0 -0.57 -0.6874 -0.9857 3563131 BCB03_000693 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C=C)C=C(C)C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C11 mock treatment 4228200.0 22700.0 0.02 3885578.475 19200.0 0.02 0.0315 0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C12 mock treatment 3994466.667 -211000.0 -0.23 3671406.977 -195000.0 -0.2 -0.3051 -0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C13 compound treatment 2598355.072 -1610000.0 -1.74 2895111.842 -971000.0 -1.01 -1.946 -0.9663 3188011 BCB03_000694 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C14 compound treatment 3572813.008 -633000.0 -0.69 3385360.902 -481000.0 -0.5 -0.8386 -0.9879 3563132 BCB03_000695 COc1ccc(CN/2C(C=C)C=C(C)C\C2=N\P(=O)(Oc3ccccc3)Oc4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C15 mock treatment 3780648.069 -425000.0 -0.46 3929793.814 63400.0 0.07 -0.2791 -0.5998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C16 mock treatment 3665448.889 -540000.0 -0.59 4058073.034 192000.0 0.2 -0.2731 -0.4416 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C17 compound treatment 3010462.617 -1200000.0 -1.3 3210508.287 -656000.0 -0.68 -1.3983 -0.955 3071579 BCB03_000696 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C18 compound treatment 3951617.347 -254000.0 -0.28 3413194.915 -453000.0 -0.47 -0.5277 -0.9673 3563134 BCB03_000697 COc1ccc(CN2C(C=C)C3C4C(C2C=C3C)C(=O)N(C)C4=O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C19 compound treatment 3678150.685 -527000.0 -0.57 3857634.518 -8750.0 -0.01 -0.4107 -0.7183 3070932 BCB03_000698 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C20 compound treatment 3245936.17 -960000.0 -1.04 4019152.284 153000.0 0.16 -0.6234 -0.5923 3563135 BCB03_000699 COc1ccc(CN2CCC(=CC2C=C)C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C21 compound treatment 2958004.016 -1250000.0 -1.35 3146344.444 -720000.0 -0.75 -1.4856 -0.9611 3188522 BCB03_000700 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C22 compound treatment 3777707.317 -428000.0 -0.46 3899473.404 33100.0 0.03 -0.3036 -0.6529 1025568 BCB03_000701 COc1cc2CCN(C)C(C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C23 compound treatment 3695457.627 -510000.0 -0.55 5261384.615 1390000.0 1.45 0.6343 0.4087 3070934 BCB03_000702 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 C24 compound treatment 2894123.077 -1310000.0 -1.42 3078428.571 -788000.0 -0.82 -1.5845 -0.9657 3563136 BCB03_000703 COc1cc2CCN(C)C(C=C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D01 compound treatment 3793419.512 -412000.0 -0.45 3745911.111 -120000.0 -0.13 -0.4045 -0.8717 3556407 BCB03_000704 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D02 compound treatment 4335000.0 130000.0 0.14 3738158.47 -128000.0 -0.13 0.0051 0.0262 3614403 BCB03_000705 ONC(=O)/C=C/c1ccc(OCCn2c3ccccc3c4ccccc24)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D03 compound treatment 4382862.745 177000.0 0.19 4080310.526 214000.0 0.22 0.2932 0.9974 3556412 BCB03_000706 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D04 compound treatment 5101311.321 896000.0 0.97 4181626.984 315000.0 0.33 0.9185 0.896 3614405 BCB03_000707 Cc1cccc(Cl)c1NC(=O)C2=CC=C(Cl)C2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D05 compound treatment 4190446.078 -15000.0 -0.02 4115338.624 249000.0 0.26 0.1715 0.6613 3614406 BCB03_000708 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)C(=O)NCc8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D06 compound treatment 3994592.105 -211000.0 -0.23 3788367.47 -78000.0 -0.08 -0.219 -0.9028 3614408 BCB03_000709 COc1ccc(CN(C(=O)C2=CC=C(Cl)C2)c3c(C)cccc3Cl)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D07 compound treatment 4429616.114 224000.0 0.24 4122079.295 256000.0 0.27 0.3598 0.999 3614409 BCB03_000710 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)C(=O)NCc8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D08 compound treatment 3539702.02 -666000.0 -0.72 3262945.455 -603000.0 -0.63 -0.954 -0.9975 3614410 BCB03_000711 COc1ccc(CN(C(=O)C2=CC=C(C2)Nc3cc(Cl)nc(C)n3)c4c(C)cccc4Cl)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D09 compound treatment 4349727.273 144000.0 0.16 3620912.037 -245000.0 -0.26 -0.0698 -0.2333 3614411 BCB03_000712 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)C(=O)NCc8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D10 compound treatment 4411528.846 206000.0 0.22 4082687.179 216000.0 0.22 0.317 1.0 3614412 BCB03_000713 Cc1cccc(Cl)c1NC(=O)C2=CC=C(C2)Nc3cc(Cl)nc(C)n3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D11 mock treatment 4226060.914 20600.0 0.02 3597785.965 -269000.0 -0.28 -0.1816 -0.6485 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D12 mock treatment 4031990.741 -173000.0 -0.19 4171897.959 306000.0 0.32 0.0915 0.248 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D13 compound treatment 3195159.011 -1010000.0 -1.1 4009209.756 143000.0 0.15 -0.6696 -0.6057 3614413 BCB03_000714 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)C(=O)NCc8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D14 compound treatment 3794940.959 -411000.0 -0.45 4222488.372 356000.0 0.37 -0.053 -0.0916 3614414 BCB03_000715 Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(nc(C)n3)N4CCN(CCO)CC4)s2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D15 mock treatment 4078471.503 -127000.0 -0.14 4027288.66 161000.0 0.17 0.0209 0.0964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D16 mock treatment 4072871.921 -133000.0 -0.14 3784293.578 -82100.0 -0.09 -0.162 -0.969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D17 compound treatment 3324184.211 -881000.0 -0.96 3413610.442 -453000.0 -0.47 -1.0085 -0.9468 3556423 BCB03_000716 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D18 compound treatment 3098853.147 -1110000.0 -1.2 3405986.014 -460000.0 -0.48 -1.1868 -0.9187 3614415 BCB03_000717 COC(=O)C1(CCCC1)C2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)CCO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D19 compound treatment 3136545.126 -1070000.0 -1.16 3164799.163 -702000.0 -0.73 -1.3352 -0.9751 3556419 BCB03_000718 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D20 compound treatment 3124000.0 -1080000.0 -1.17 3712949.153 -153000.0 -0.16 -0.9419 -0.796 3614418 BCB03_000719 Cn1c(=O)n2[C@H]3[C@@H]4[C@H](CCN=[N+]=[N-])OC(=O)[C@H](Cc5ccccc5)N4CC3=C[C@@H](C6CC6)n2c1=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D21 compound treatment 3225794.76 -980000.0 -1.06 3203570.776 -663000.0 -0.69 -1.2383 -0.978 3614420 BCB03_000720 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D22 compound treatment 3081111.628 -1120000.0 -1.22 3031169.014 -835000.0 -0.87 -1.4759 -0.9862 3614421 BCB03_000721 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N3CC4=CCCC=C[C@H]4[C@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D23 compound treatment 3026750.958 -1180000.0 -1.28 3245479.508 -621000.0 -0.65 -1.3601 -0.9499 3614424 BCB03_000722 COC(=O)c1cn(CC(=O)N2CCC3(CC2)N(CNC3=O)c4ccccc4)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 D24 compound treatment 2431475.676 -1770000.0 -1.92 2370561.151 -1500000.0 -1.55 -2.4595 -0.9944 3614425 BCB03_000723 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E01 mock treatment 4145837.989 -59600.0 -0.06 4211915.493 346000.0 0.36 0.2082 0.5706 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E02 mock treatment 5009288.889 804000.0 0.87 4508184.739 642000.0 0.67 1.088 0.9913 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E03 compound treatment 4932807.512 727000.0 0.79 4477162.437 611000.0 0.63 1.0065 0.9942 3070935 BCB03_000724 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E04 compound treatment 5570294.118 1360000.0 1.48 4874291.667 1010000.0 1.05 1.7872 0.9857 3563137 BCB03_000725 COc1cc2CCN(C)C(C3CC3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E05 compound treatment 5292677.249 1090000.0 1.18 4923559.406 1060000.0 1.1 1.6105 0.9994 3070936 BCB03_000726 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E06 compound treatment 4381052.045 176000.0 0.19 4496176.211 630000.0 0.65 0.5975 0.8764 3563138 BCB03_000727 COCC#CC1N(C)CCc2cc(OC)c(OC)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E07 compound treatment 3188214.047 -1020000.0 -1.1 3782548.872 -83800.0 -0.09 -0.8415 -0.7606 3070944 BCB03_000728 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E08 compound treatment 4753157.895 548000.0 0.59 3718639.098 -148000.0 -0.15 0.3113 0.5075 3562035 BCB03_000729 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E09 mock treatment 4851985.981 647000.0 0.7 4306138.655 440000.0 0.46 0.8189 0.9785 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E10 mock treatment 4844561.111 639000.0 0.69 4378643.678 512000.0 0.53 0.8665 0.9915 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E11 compound treatment 3798601.896 -407000.0 -0.44 3714472.727 -152000.0 -0.16 -0.4236 -0.904 3188539 BCB03_000730 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E12 compound treatment 4600902.439 395000.0 0.43 4189612.717 323000.0 0.34 0.5407 0.9927 3563139 BCB03_000731 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E13 compound treatment 4256673.913 51200.0 0.06 3584048.98 -282000.0 -0.29 -0.1683 -0.5633 3188540 BCB03_000732 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E14 compound treatment 4753608.295 548000.0 0.59 4025870.27 159000.0 0.17 0.5375 0.8711 3563140 BCB03_000733 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C=C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E15 compound treatment 4566370.0 361000.0 0.39 3903161.943 36800.0 0.04 0.3037 0.7725 3188541 BCB03_000734 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E16 compound treatment 4486099.099 281000.0 0.3 4075928.23 210000.0 0.22 0.3692 0.9866 3563141 BCB03_000735 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C4CC4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E17 mock treatment 4435435.644 230000.0 0.25 4061401.869 195000.0 0.2 0.3196 0.9947 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E18 mock treatment 4339252.101 134000.0 0.15 3927802.885 61400.0 0.06 0.1477 0.932 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E19 compound treatment 3312509.709 -893000.0 -0.97 3075023.041 -791000.0 -0.82 -1.2663 -0.9967 3070947 BCB03_000736 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E20 compound treatment 4134456.522 -71000.0 -0.08 3499903.01 -366000.0 -0.38 -0.3238 -0.8332 3563142 BCB03_000737 COCC#CC1N(Cc2ccc(OC)cc2)CCc3cc(OC)c(OC)cc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E21 compound treatment 3570572.917 -635000.0 -0.69 3483506.667 -383000.0 -0.4 -0.7682 -0.9661 3188544 BCB03_000738 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E22 compound treatment 4640039.024 435000.0 0.47 4072061.321 206000.0 0.21 0.4843 0.9361 3563143 BCB03_000739 COc1cc2CCN(C)C(C)(C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E23 compound treatment 3014289.796 -1190000.0 -1.29 3188041.494 -678000.0 -0.71 -1.4118 -0.9595 3188657 BCB03_000740 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5cccc(c5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 E24 compound treatment 3851256.41 -354000.0 -0.38 3468321.951 -398000.0 -0.41 -0.5641 -0.9993 3563144 BCB03_000741 COc1cc2CCN(C)C(C)(C=C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F01 mock treatment 4340461.538 135000.0 0.15 4178363.636 312000.0 0.32 0.3328 0.9354 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F02 mock treatment 5861131.313 1660000.0 1.8 5089489.13 1220000.0 1.27 2.1683 0.9857 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F03 compound treatment 5737532.663 1530000.0 1.66 4457289.34 591000.0 0.61 1.6089 0.9084 3614432 BCB03_000742 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)Nc3ccccc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F04 compound treatment 5729469.697 1520000.0 1.65 4592520.408 726000.0 0.75 1.7021 0.937 3614434 BCB03_000743 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)CCN=[N+]=[N-] 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F05 compound treatment 5344241.758 1140000.0 1.23 4942019.512 1080000.0 1.12 1.6636 0.9988 3614437 BCB03_000744 COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)c3ccccc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F06 compound treatment 4720875.0 515000.0 0.56 4851862.637 985000.0 1.02 1.1195 0.9594 3614440 BCB03_000745 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(CC#C)[C@@H]1/C=C/C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F07 compound treatment 5176613.26 971000.0 1.05 4443363.636 577000.0 0.6 1.1686 0.9644 3614442 BCB03_000746 COC(=O)c1cn(CCCNC(=S)Nc2ccc(cc2)[N+](=O)[O-])nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F08 compound treatment 4770430.769 565000.0 0.61 4251685.714 385000.0 0.4 0.7163 0.9788 3614443 BCB03_000747 C=C/C=C/[C@H]1[C@@H]2[C@H](CCN=[N+]=[N-])OC(=O)[C@H](Cc3ccccc3)N2CC1=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F09 mock treatment 5446729.592 1240000.0 1.35 4662745.763 796000.0 0.83 1.537 0.9727 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F10 mock treatment 5301270.27 1100000.0 1.19 4912017.751 1050000.0 1.09 1.6087 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F11 compound treatment 4681125.628 476000.0 0.52 5318101.064 1450000.0 1.51 1.4317 0.8978 3614446 BCB03_000748 COC(=O)c1cn(CCCNC(=O)Nc2ccccc2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F12 compound treatment 3888972.973 -316000.0 -0.34 3930394.444 64000.0 0.07 -0.1956 -0.5596 3614447 BCB03_000749 COC(=O)[C@H](Cc1ccccc1)N2C[C@](C)(OC(C)C)O[C@@H](CCN=[N+]=[N-])[C@H]2/C=C/C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F13 compound treatment 4397036.145 192000.0 0.21 3891410.909 25000.0 0.03 0.1653 0.7895 3614451 BCB03_000750 COC(=O)c1cn(CCNC(=O)Nc2ccccc2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F14 compound treatment 4470909.465 265000.0 0.29 4374398.936 508000.0 0.53 0.5769 0.9593 3614452 BCB03_000751 COC(=O)C1(CCCC1)C2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)CCO)c(=O)n(C)c5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F15 compound treatment 4487672.646 282000.0 0.31 4120112.613 254000.0 0.26 0.4028 0.9973 3614455 BCB03_000752 COC(=O)c1cn(CCCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c3ccc(C)cc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F16 compound treatment 4685211.823 480000.0 0.52 4113395.455 247000.0 0.26 0.5494 0.947 3614458 BCB03_000753 OCC[C@@H]1OC(=O)C2(CCCC2)N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@H]13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F17 mock treatment 4507870.968 302000.0 0.33 4086674.757 220000.0 0.23 0.3938 0.9846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F18 mock treatment 4011512.195 -194000.0 -0.21 4049609.865 183000.0 0.19 -0.014 -0.0495 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F19 compound treatment 4503365.079 298000.0 0.32 4012402.49 146000.0 0.15 0.3357 0.9407 3614462 BCB03_000754 COC(=O)c1cn(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c3ccc(C)cc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F20 compound treatment 4268714.286 63200.0 0.07 3727575.472 -139000.0 -0.14 -0.0535 -0.3351 3563105 BCB03_000755 COC(=O)C1=CN(C)C(C=C)c2ccccc2C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F21 compound treatment 4333730.594 128000.0 0.14 3763837.945 -103000.0 -0.11 0.023 0.1311 3614464 BCB03_000756 COC(=O)c1cn(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F22 compound treatment 4130660.465 -74800.0 -0.08 3794704.641 -71700.0 -0.07 -0.11 -0.9991 3563108 BCB03_000757 COC(=O)C1=CN(C)C(C2CC2)c3ccccc3C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F23 compound treatment 3743904.564 -462000.0 -0.5 3414976.654 -451000.0 -0.47 -0.6857 -0.9995 3614467 BCB03_000758 COC(=O)c1cn(C[C@@H]2CCCN2S(=O)(=O)c3ccc(C)cc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 F24 compound treatment 3814159.817 -391000.0 -0.42 3162446.215 -704000.0 -0.73 -0.8174 -0.9664 3188926 BCB03_000759 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(nc5)C(F)(F)F)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G01 compound treatment 4332694.175 127000.0 0.14 4097436.62 231000.0 0.24 0.2674 0.9653 3188658 BCB03_000760 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G02 compound treatment 5051927.184 846000.0 0.92 4577227.273 711000.0 0.74 1.1714 0.9942 3563145 BCB03_000761 COCC#CC1(C)N(C)CCc2cc(OC)c(OC)cc21 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G03 mock treatment 5041411.429 836000.0 0.91 4656678.049 790000.0 0.82 1.2218 0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G04 mock treatment 4970536.232 765000.0 0.83 4712126.168 846000.0 0.88 1.2082 0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G05 compound treatment 4183893.72 -21600.0 -0.02 4893932.039 1030000.0 1.07 0.7387 0.6915 3188659 BCB03_000762 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4cccc(NC(=O)OCC5c6ccccc6-c7ccccc57)c4)c8ccc(I)cc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G06 compound treatment 4822482.143 617000.0 0.67 4826839.286 960000.0 1.0 1.179 0.981 3563146 BCB03_000763 COc1ccc(C[N+]2=C(C)c3cc(OC)c(OC)cc3CC2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G07 compound treatment 3672962.791 -533000.0 -0.58 3823357.488 -43000.0 -0.04 -0.4399 -0.7596 3188672 BCB03_000764 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(OC(=O)OC(C)(C)C)cc4)c5ccc(I)cc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G08 compound treatment 4266100.457 60600.0 0.07 3695275.093 -171000.0 -0.18 -0.0793 -0.4181 3563147 BCB03_000765 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G09 compound treatment 4396395.48 191000.0 0.21 4738167.382 872000.0 0.91 0.7871 0.8468 3188673 BCB03_000766 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G10 compound treatment 3631163.743 -574000.0 -0.62 2852685.484 -1010000.0 -1.05 -1.1854 -0.9685 3563148 BCB03_000767 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C=C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G11 compound treatment 3776685.714 -429000.0 -0.46 2981782.456 -885000.0 -0.92 -0.9789 -0.9501 3188674 BCB03_000768 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G12 compound treatment 3908500.0 -297000.0 -0.32 2117457.045 -1750000.0 -1.82 -1.5131 -0.8196 3563149 BCB03_000769 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C4CC4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G13 compound treatment 4338833.333 133000.0 0.14 2378179.153 -1490000.0 -1.55 -0.9915 -0.6382 3188675 BCB03_000770 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G14 compound treatment 4161482.955 -44000.0 -0.05 3113226.087 -753000.0 -0.78 -0.5873 -0.7488 3563150 BCB03_000771 COCC#CC1(C)N(Cc2ccc(OC)cc2)CCc3cc(OC)c(OC)cc31 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G15 compound treatment 4252396.313 46900.0 0.05 2624407.713 -1240000.0 -1.29 -0.8768 -0.6787 3071001 BCB03_000772 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G16 compound treatment 3820782.143 -385000.0 -0.42 2106108.696 -1760000.0 -1.83 -1.5887 -0.8466 3563151 BCB03_000773 COc1cc2CC(C)N(C)C(C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G17 compound treatment 5014590.643 809000.0 0.88 3044877.622 -822000.0 -0.85 0.0166 0.0135 3071002 BCB03_000774 OCC1CC(=NO1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G18 compound treatment 4699454.545 494000.0 0.54 3712238.462 -154000.0 -0.16 0.2654 0.4748 3563152 BCB03_000775 COc1cc2CC(C)N(C)C(C=C)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G19 mock treatment 4810986.175 606000.0 0.66 4042968.254 177000.0 0.18 0.594 0.8714 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G20 mock treatment 4386621.145 181000.0 0.2 4722264.423 856000.0 0.89 0.7679 0.8429 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G21 compound treatment 4402945.813 197000.0 0.21 4164024.39 298000.0 0.31 0.3702 0.9838 3071004 BCB03_000776 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G22 compound treatment 3986796.61 -219000.0 -0.24 3779529.954 -86900.0 -0.09 -0.2315 -0.9124 3563153 BCB03_000777 COc1cc2CC(C)N(C)C(C3CC3)c2cc1OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G23 compound treatment 4021935.484 -184000.0 -0.2 3344000.0 -522000.0 -0.54 -0.5247 -0.9072 3414065 BCB03_000778 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 G24 compound treatment 3800563.38 -405000.0 -0.44 3792560.886 -73800.0 -0.08 -0.3647 -0.8183 3563154 BCB03_000779 COCC#CC1N(C)C(C)Cc2cc(OC)c(OC)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H01 compound treatment 4201335.26 -4140.0 0.0 4384028.571 518000.0 0.54 0.3773 0.7012 3614478 BCB03_000780 COC(=O)c1cn(CC(=O)N2CCN(C)CC2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H02 compound treatment 5439217.391 1230000.0 1.34 5139333.333 1270000.0 1.32 1.8815 1.0 3061928 BCB03_000781 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H03 mock treatment 5054141.593 849000.0 0.92 4841326.087 975000.0 1.01 1.3672 0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H04 mock treatment 5394660.714 1190000.0 1.29 5229295.154 1360000.0 1.42 1.9134 0.9989 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H05 compound treatment 5359190.909 1150000.0 1.25 4899920.0 1030000.0 1.07 1.6442 0.9971 3614479 BCB03_000782 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn2cc(nn2)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H06 compound treatment 3296590.09 -909000.0 -0.99 4122025.907 256000.0 0.27 -0.5089 -0.4986 3614483 BCB03_000783 COCCOc1cc2ncnc(Nc3cccc(C#C)c3)c2cc1OCCOC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H07 compound treatment 4915942.982 710000.0 0.77 5187958.333 1320000.0 1.37 1.516 0.9626 3614485 BCB03_000784 COC(=O)[C@@H](NC(=O)Cn1cc(nn1)C(=O)OC)c2ccccc2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H08 mock treatment 4755485.149 550000.0 0.6 3388035.842 -478000.0 -0.5 0.0701 0.0903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H09 compound treatment 4857094.118 652000.0 0.71 2829161.404 -1040000.0 -1.08 -0.2627 -0.2038 3614488 BCB03_000785 CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn3cc(nn3)C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H10 mock treatment 4548405.405 343000.0 0.37 2685417.683 -1180000.0 -1.23 -0.6051 -0.4717 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H11 compound treatment 4676157.407 471000.0 0.51 2691685.786 -1170000.0 -1.22 -0.5025 -0.3797 3614492 BCB03_000786 COC(=O)c1cn(nn1)c2cccc(N)c2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H12 mock treatment 4256297.959 50800.0 0.06 2231205.063 -1640000.0 -1.7 -1.1629 -0.6838 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H13 compound treatment 4403566.038 198000.0 0.21 2352877.404 -1510000.0 -1.57 -0.9605 -0.605 3614494 BCB03_000787 COC(=O)c1cn(CC(=O)N2CCN(CC2)c3ccccc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H14 mock treatment 3849344.961 -356000.0 -0.39 2238961.039 -1630000.0 -1.69 -1.4692 -0.8467 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H15 compound treatment 3799250.965 -406000.0 -0.44 2122902.174 -1740000.0 -1.81 -1.5929 -0.8541 3614495 BCB03_000788 COC(=O)c1cn(CC(=O)N2CCOCC2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H16 mock treatment 4085356.522 -120000.0 -0.13 2248524.862 -1620000.0 -1.68 -1.2812 -0.7596 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H17 compound treatment 4251023.904 45600.0 0.05 2808409.341 -1060000.0 -1.1 -0.7427 -0.6747 3614498 BCB03_000789 COC(=O)c1cn(CC(=O)Nc2ccc(OC)c(OC)c2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H18 mock treatment 4533330.357 328000.0 0.36 2879318.182 -987000.0 -1.03 -0.4741 -0.4366 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H19 mock treatment 4318037.975 113000.0 0.12 3829569.492 -36800.0 -0.04 0.0592 0.4632 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H20 mock treatment 3819478.417 -386000.0 -0.42 4601746.667 735000.0 0.76 0.2445 0.2806 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H21 compound treatment 3779020.0 -426000.0 -0.46 3912900.433 46500.0 0.05 -0.2928 -0.6297 3614499 BCB03_000790 COC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H22 mock treatment 4406225.49 201000.0 0.22 3506511.719 -360000.0 -0.37 -0.1106 -0.2555 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H23 compound treatment 4048390.698 -157000.0 -0.17 3330530.12 -536000.0 -0.56 -0.5143 -0.883 3614501 BCB03_000791 COC(=O)c1cn(CC(=O)Nc2nccs2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 H24 mock treatment 3738973.451 -466000.0 -0.51 3612190.476 -254000.0 -0.26 -0.5445 -0.9541 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I01 compound treatment 4038359.281 -167000.0 -0.18 3782648.241 -83700.0 -0.09 -0.1897 -0.9436 3071008 BCB03_000792 CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3=C2CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)C1(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I02 compound treatment 4576577.689 371000.0 0.4 4358755.365 492000.0 0.51 0.6464 0.9929 3563155 BCB03_000793 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I03 compound treatment 4627174.107 422000.0 0.46 4273146.226 407000.0 0.42 0.6223 0.9992 3188792 BCB03_000794 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I04 compound treatment 4283236.515 77800.0 0.08 4712472.574 846000.0 0.88 0.6815 0.7714 3563156 BCB03_000795 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I05 mock treatment 4592700.855 387000.0 0.42 4687398.104 821000.0 0.85 0.9003 0.9466 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I06 mock treatment 4468903.955 263000.0 0.29 4376923.445 511000.0 0.53 0.5772 0.9578 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I07 compound treatment 4202991.111 -2480.0 0.0 3432619.529 -434000.0 -0.45 -0.3207 -0.7113 3188805 BCB03_000796 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I08 compound treatment 4344228.07 139000.0 0.15 2493601.286 -1370000.0 -1.43 -0.9026 -0.6291 3563157 BCB03_000797 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C=C)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I09 compound treatment 3814100.402 -391000.0 -0.42 2177335.859 -1690000.0 -1.76 -1.5415 -0.8534 3188806 BCB03_000798 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I10 compound treatment 3738189.076 -467000.0 -0.51 2019410.431 -1850000.0 -1.92 -1.7157 -0.8641 3563158 BCB03_000799 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C4CC4)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I11 compound treatment 3938128.079 -267000.0 -0.29 1827958.763 -2040000.0 -2.12 -1.7032 -0.7964 3188807 BCB03_000800 COc1ccc(cc1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I12 compound treatment 3819964.567 -386000.0 -0.42 2099408.776 -1770000.0 -1.84 -1.5943 -0.8464 3563159 BCB03_000801 COCC#CC1N(Cc2ccc(OC)cc2)C(C)Cc3cc(OC)c(OC)cc13 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I13 compound treatment 4063451.613 -142000.0 -0.15 2208908.873 -1660000.0 -1.72 -1.3271 -0.7672 3071124 BCB03_000802 COc1cccc(c1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I14 compound treatment 3504142.222 -701000.0 -0.76 2001561.576 -1860000.0 -1.94 -1.9083 -0.9165 3614506 BCB03_000803 CCCCOc1ccc(/C=C/C(=O)NO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I15 compound treatment 4139721.774 -65700.0 -0.07 2007774.648 -1860000.0 -1.93 -1.4164 -0.7327 3188924 BCB03_000804 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(Br)cc5)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I16 compound treatment 3700305.755 -505000.0 -0.55 2184169.576 -1680000.0 -1.75 -1.6237 -0.8862 3614510 BCB03_000805 ONC(=O)/C=C/c1ccc(OC2CCCCC2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I17 compound treatment 4020428.571 -185000.0 -0.2 2591080.645 -1280000.0 -1.33 -1.0792 -0.805 3188925 BCB03_000806 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(N)cc5)C(C)(C)C4CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I18 compound treatment 3937961.207 -268000.0 -0.29 2606928.161 -1260000.0 -1.31 -1.1308 -0.8433 3614513 BCB03_000807 COc1ccc(/C=C/C(=O)NO)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I19 compound treatment 3958515.625 -247000.0 -0.27 2785829.721 -1080000.0 -1.12 -0.9835 -0.8518 3614517 BCB03_000808 COC(=O)[C@H](Cc1ccccc1)N(CC#C)O[C@@H](/C=C/[C@@H](O)Cc2ccccc2)C3CC3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I20 compound treatment 3857459.916 -348000.0 -0.38 3928572.139 62200.0 0.06 -0.2211 -0.5776 3614521 BCB03_000809 ONC(=O)/C=C/c1ccc(O)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I21 mock treatment 4004797.357 -201000.0 -0.22 3616581.967 -250000.0 -0.26 -0.3375 -0.9961 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I22 mock treatment 4002722.222 -203000.0 -0.22 3440703.057 -426000.0 -0.44 -0.4683 -0.9479 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I23 compound treatment 3809560.538 -396000.0 -0.43 3403224.299 -463000.0 -0.48 -0.644 -0.9984 3614524 BCB03_000810 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 I24 compound treatment 3465701.681 -740000.0 -0.8 3131134.146 -735000.0 -0.76 -1.1076 -0.9997 3614525 BCB03_000811 ONC(=O)/C=C/c1ccc(OCCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J01 compound treatment 4628360.976 423000.0 0.46 4288898.936 423000.0 0.44 0.6348 0.9998 3614528 BCB03_000812 COC(=O)c1cn(CC(=O)Nc2ccon2)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J02 mock treatment 4990005.495 785000.0 0.85 4554771.3 688000.0 0.72 1.1074 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J03 compound treatment 5156598.958 951000.0 1.03 4700632.653 834000.0 0.87 1.3424 0.9963 3614530 BCB03_000813 COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)Nc3ccccc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J04 mock treatment 5012690.377 807000.0 0.88 5039517.588 1170000.0 1.22 1.4811 0.9868 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J05 mock treatment 5272170.306 1070000.0 1.16 4895825.0 1030000.0 1.07 1.5744 0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J06 mock treatment 4803984.925 599000.0 0.65 4750198.895 884000.0 0.92 1.1085 0.9855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J07 compound treatment 4661882.353 456000.0 0.49 4359290.598 493000.0 0.51 0.7122 0.9998 3614532 BCB03_000814 O=C(Cn1cc(nn1)C2(CCCCC2)NC(=O)Nc3ccccc3)N4CCN(CC4)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J08 mock treatment 5051792.271 846000.0 0.92 2885705.882 -981000.0 -1.02 -0.0719 -0.0524 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J09 compound treatment 4563828.571 358000.0 0.39 2715962.319 -1150000.0 -1.2 -0.5708 -0.454 3614534 BCB03_000815 NC(=N)NCc1cn(CC(=O)N2CCN(CC2)c3ccccc3)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J10 mock treatment 4542202.586 337000.0 0.37 2502019.512 -1360000.0 -1.42 -0.7446 -0.5085 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J11 compound treatment 4282870.968 77400.0 0.08 2413839.329 -1450000.0 -1.51 -1.0082 -0.6668 3614535 BCB03_000816 CC(=O)Nc1ccccc1c2cn(CC(=O)N3CCN(CC3)c4ccccc4)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J12 mock treatment 4227810.945 22300.0 0.02 2100230.404 -1770000.0 -1.84 -1.281 -0.6977 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J13 compound treatment 4499515.464 294000.0 0.32 2260654.867 -1610000.0 -1.67 -0.9547 -0.5619 3614536 BCB03_000817 O=C(Cn1cc(nn1)C2(CCCCC2)NC(=O)Nc3ccccc3)N4CCOCC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J14 mock treatment 4132436.17 -73000.0 -0.08 2093462.415 -1770000.0 -1.84 -1.3591 -0.7368 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J15 compound treatment 4071868.644 -134000.0 -0.14 2194475.0 -1670000.0 -1.74 -1.3312 -0.7634 3614537 BCB03_000818 CC(=O)Nc1ccccc1c2cn(CC(=O)N3CCOCC3)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J16 mock treatment 3982403.846 -223000.0 -0.24 2183845.411 -1680000.0 -1.75 -1.4077 -0.7973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J17 compound treatment 3970131.356 -235000.0 -0.26 2371051.98 -1500000.0 -1.55 -1.2795 -0.8123 3556424 BCB03_000819 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J18 mock treatment 3712838.843 -493000.0 -0.53 2524363.636 -1340000.0 -1.39 -1.3641 -0.9132 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J19 compound treatment 3468454.936 -737000.0 -0.8 2742065.217 -1120000.0 -1.17 -1.3914 -0.9828 3614538 BCB03_000820 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn3cc(nn3)c4ccccc4N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J20 mock treatment 3668627.119 -537000.0 -0.58 3700753.906 -166000.0 -0.17 -0.5333 -0.8786 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J21 mock treatment 3890918.367 -315000.0 -0.34 3850231.343 -16200.0 -0.02 -0.253 -0.741 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J22 mock treatment 3818698.795 -387000.0 -0.42 3476549.153 -390000.0 -0.41 -0.5831 -0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J23 compound treatment 3833559.633 -372000.0 -0.4 3228646.84 -638000.0 -0.66 -0.7539 -0.9716 3614540 BCB03_000821 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCn3cc(nn3)c4ccccc4N 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 J24 mock treatment 3309105.691 -896000.0 -0.97 3137427.536 -729000.0 -0.76 -1.223 -0.9924 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K01 compound treatment 1606964.912 -2600000.0 -2.82 2570859.259 -1300000.0 -1.35 -2.9444 -0.9429 3614545 BCB03_000822 COC(=O)[C@H](Cc1ccccc1)N2CC3=CC(=O)[C@H](C4CC4)[C@H]3[C@@H]2[C@@H](O)Cc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K02 compound treatment 4770055.556 565000.0 0.61 4789567.961 923000.0 0.96 1.1114 0.9764 3614548 BCB03_000823 COc1ccc(CCCOc2ccc(/C=C/C(=O)NO)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K03 compound treatment 1489160.0 -2720000.0 -2.95 1602482.759 -2260000.0 -2.35 -3.7465 -0.9938 3614553 BCB03_000824 O=C1C=C2CN3[C@H]([C@@H]2[C@H]1C4CC4)[C@H](Cc5ccccc5)OC(=O)[C@@H]3Cc6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K04 compound treatment 4294974.249 89500.0 0.1 4714350.467 848000.0 0.88 0.6919 0.7802 3614558 BCB03_000825 ONC(=O)/C=C/c1ccc(OCCc2ccccn2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K05 compound treatment 4934198.953 729000.0 0.79 4985609.524 1120000.0 1.16 1.3813 0.9822 3614560 BCB03_000826 COC(=O)C1(CCCC1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K06 compound treatment 4358918.269 153000.0 0.17 4502500.0 636000.0 0.66 0.5852 0.8583 3614562 BCB03_000827 ONC(=O)/C=C/c1ccc(OCCNCc2ccccc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K07 mock treatment 4901291.304 696000.0 0.75 4432461.187 566000.0 0.59 0.9495 0.9924 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K08 mock treatment 4758380.282 553000.0 0.6 3847435.331 -19000.0 -0.02 0.41 0.6835 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K09 compound treatment 4131965.957 -73500.0 -0.08 2704690.691 -1160000.0 -1.21 -0.9102 -0.7521 3614565 BCB03_000828 C=C/C=C/[C@H]1[C@@H]2[C@H](Cc3ccccc3)OC(=O)C4(CCCC4)N2CC1=C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K10 compound treatment 2273742.308 -1930000.0 -2.09 1857271.739 -2010000.0 -2.09 -2.9577 -1.0 1065487 BCB03_000829 ONC(=O)CCCc1ccccc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K11 compound treatment 3622345.382 -583000.0 -0.63 2101038.76 -1770000.0 -1.83 -1.7446 -0.8989 3614570 BCB03_000830 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3C51CCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K12 compound treatment 4146137.5 -59300.0 -0.06 2784234.043 -1080000.0 -1.12 -0.8408 -0.7463 3614573 BCB03_000831 CCCC(CCC)C(=O)NO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K13 compound treatment 4130290.909 -75200.0 -0.08 2428121.429 -1440000.0 -1.49 -1.1147 -0.7446 3614575 BCB03_000832 COC(=O)C1(CCCC1)N2CC3=C[C@@H]([C@@H](O)Cc4ccccc4)n5n([C@@H]3[C@H](O2)C6CC6)c(=O)n(C)c5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K14 compound treatment 5164558.233 959000.0 1.04 2479057.269 -1390000.0 -1.44 -0.2843 -0.1599 3614578 BCB03_000833 Oc1ccc2ncnc(NCC=C)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K15 mock treatment 4452463.035 247000.0 0.27 2603311.164 -1260000.0 -1.31 -0.739 -0.5515 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K16 mock treatment 4142937.5 -62500.0 -0.07 2496418.994 -1370000.0 -1.42 -1.0548 -0.7399 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K17 compound treatment 4049122.222 -156000.0 -0.17 2811874.332 -1050000.0 -1.1 -0.8949 -0.8069 3614579 BCB03_000834 COC(=O)C1(CCCC1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K18 compound treatment 4945048.0 740000.0 0.8 3410301.639 -456000.0 -0.47 0.2318 0.2489 3614582 BCB03_000835 CCCNc1ncnc2ccc(O)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K19 compound treatment 3943750.0 -262000.0 -0.28 4180304.527 314000.0 0.33 0.0301 0.0695 3614584 BCB03_000836 COC(=O)C1(CCCC1)N2C[C@](C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K20 compound treatment 4695037.736 490000.0 0.53 4285446.721 419000.0 0.44 0.6833 0.9952 2065681 BCB03_000837 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K21 compound treatment 4417886.878 212000.0 0.23 5239652.893 1370000.0 1.43 1.1722 0.8107 3614590 BCB03_000838 COC(=O)C1(CCCC1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K22 compound treatment 4117610.092 -87900.0 -0.1 4258730.29 392000.0 0.41 0.221 0.5277 3216001 BCB03_000839 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K23 mock treatment 4114904.348 -90600.0 -0.1 3878559.633 12200.0 0.01 -0.0605 -0.611 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 K24 mock treatment 3634776.892 -571000.0 -0.62 3388626.126 -478000.0 -0.5 -0.7887 -0.9941 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L01 compound treatment 4374909.524 169000.0 0.18 4544828.571 678000.0 0.71 0.6285 0.8625 3614594 BCB03_000840 Nc1ccccc1c2cn(CC(=O)Nc3nccs3)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L02 mock treatment 5096383.42 891000.0 0.97 5127617.225 1260000.0 1.31 1.61 0.9887 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L03 compound treatment 5584319.249 1380000.0 1.5 5342492.228 1480000.0 1.53 2.1421 0.9999 3614596 BCB03_000841 Nc1ccccc1c2cn(CC(=O)Nc3ccon3)nn2 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L04 mock treatment 5395646.552 1190000.0 1.29 5343836.735 1480000.0 1.54 1.9984 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L05 compound treatment 5477241.026 1270000.0 1.38 5279308.642 1410000.0 1.47 2.0135 0.9995 3556414 BCB03_000842 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L06 mock treatment 5568762.887 1360000.0 1.48 5284567.416 1420000.0 1.47 2.0876 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L07 mock treatment 5215414.141 1010000.0 1.1 5283314.136 1420000.0 1.47 1.8157 0.9894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L08 mock treatment 4679585.47 474000.0 0.51 4696472.103 830000.0 0.86 0.9736 0.9694 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L09 compound treatment 4961098.131 756000.0 0.82 3432577.259 -434000.0 -0.45 0.2605 0.2785 3556416 BCB03_000843 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L10 mock treatment 4570796.992 365000.0 0.4 3301208.0 -565000.0 -0.59 -0.1353 -0.191 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L11 compound treatment 4766572.034 561000.0 0.61 2812941.919 -1050000.0 -1.09 -0.3441 -0.2747 3614599 BCB03_000844 CN1C(=O)[C@@H]2[C@H](C1=O)[C@]34COC[C@@H](N4C(=O)[C@@]2(O3)C(=O)C)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L12 mock treatment 4955229.358 750000.0 0.81 2830735.897 -1040000.0 -1.08 -0.1863 -0.1381 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L13 compound treatment 4066468.992 -139000.0 -0.15 2384493.151 -1480000.0 -1.54 -1.1957 -0.7726 3614605 BCB03_000845 Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L14 mock treatment 4361213.992 156000.0 0.17 2697082.645 -1170000.0 -1.22 -0.74 -0.6031 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L15 mock treatment 4177918.699 -27600.0 -0.03 2770233.735 -1100000.0 -1.14 -0.8268 -0.7254 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L16 mock treatment 4353967.742 148000.0 0.16 2900971.519 -965000.0 -1.0 -0.5957 -0.5862 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L17 compound treatment 4317217.021 112000.0 0.12 2945768.362 -921000.0 -0.96 -0.591 -0.6127 3614607 BCB03_000846 CN1C(=O)[C@H]2[C@@H](C1=O)[C@@]34COC[C@@H](N4C(=O)[C@]2(O3)C(=O)C)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L18 mock treatment 4092252.174 -113000.0 -0.12 4177742.857 311000.0 0.32 0.142 0.4104 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L19 compound treatment 4049014.981 -156000.0 -0.17 4157904.059 292000.0 0.3 0.0943 0.2716 3614609 BCB03_000847 CC(=O)[C@@]1(O[C@@]23COC[C@@H](N3C1=O)c4ccccc4)[C@H]5[C@@H]2C(=O)N(C5=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L20 mock treatment 4034111.111 -171000.0 -0.19 4278007.782 412000.0 0.43 0.1712 0.3669 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L21 compound treatment 3850944.649 -355000.0 -0.38 4276000.0 410000.0 0.43 0.0292 0.051 3614611 BCB03_000848 CC(=O)[C@]1(O[C@]23COC[C@@H](N3C1=O)c4ccccc4)[C@@H]5[C@H]2C(=O)N(C5=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L22 mock treatment 3817241.135 -388000.0 -0.42 4065811.475 199000.0 0.21 -0.1511 -0.322 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L23 mock treatment 3882619.608 -323000.0 -0.35 4172762.452 306000.0 0.32 -0.0223 -0.0472 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 L24 mock treatment 3396978.903 -808000.0 -0.88 3645906.504 -220000.0 -0.23 -0.7819 -0.863 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M01 compound treatment 2593187.097 -1610000.0 -1.75 2356936.709 -1510000.0 -1.57 -2.3455 -0.9985 3614612 BCB03_000849 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@@H]3[C@@H](O)Cc6ccccc6)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M02 compound treatment 3977165.829 -228000.0 -0.25 3499000.0 -367000.0 -0.38 -0.4451 -0.978 3215997 BCB03_000850 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)c4ccccc4)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M03 compound treatment 4137563.218 -67900.0 -0.07 4231335.878 365000.0 0.38 0.2162 0.5594 3614614 BCB03_000851 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC(=C)[C@@H](/C=C/C=C)[C@@H]3[C@@H](O)Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M04 compound treatment 4082862.069 -123000.0 -0.13 4513466.346 647000.0 0.67 0.3816 0.5566 3216003 BCB03_000852 CN1C(=O)[C@@H]2CC(=C3[C@H](OB(O)C[C@@H]3[C@@H]2C1=O)c4ccccc4)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M05 compound treatment 2754610.687 -1450000.0 -1.57 3544036.29 -322000.0 -0.34 -1.3493 -0.8389 3614616 BCB03_000853 O=C1C=C2CN3[C@H]([C@@H]2[C@H]1C4CC4)[C@H](Cc5ccccc5)OC(=O)C63CCCC6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M06 compound treatment 4563447.236 358000.0 0.39 4172913.876 307000.0 0.32 0.4997 0.9952 3215999 BCB03_000854 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(C)C3=O)c4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M07 compound treatment 3877175.214 -328000.0 -0.36 3807192.308 -59200.0 -0.06 -0.2952 -0.8172 3614620 BCB03_000855 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N[C@@H](/C=C/C3CC3)[C@H](O)Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M08 compound treatment 3783705.66 -422000.0 -0.46 3381298.851 -485000.0 -0.5 -0.6799 -0.9988 3215995 BCB03_000856 CN1C(=O)[C@@H]2CC(=C3[C@H](OB(O)C[C@@H]3[C@@H]2C1=O)c4ccccc4)COc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M09 mock treatment 3949267.857 -256000.0 -0.28 2984598.684 -882000.0 -0.92 -0.8445 -0.8818 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M10 mock treatment 3917588.496 -288000.0 -0.31 2950164.223 -916000.0 -0.95 -0.8941 -0.8922 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M11 compound treatment 3069643.172 -1140000.0 -1.23 2279761.236 -1590000.0 -1.65 -2.037 -0.9897 3614624 BCB03_000857 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@@H](/C=C/C3CC3)[C@H](O)Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M12 compound treatment 2577911.765 -1630000.0 -1.76 1829049.628 -2040000.0 -2.12 -2.7452 -0.9959 3215892 BCB03_000858 CC1=C2[C@H](OB(O)C[C@@H]2n3n(C1)c(=O)n(c4ccccc4)c3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M13 mock treatment 3448950.207 -757000.0 -0.82 2121973.621 -1740000.0 -1.81 -1.8621 -0.9357 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M14 mock treatment 3438801.471 -767000.0 -0.83 2541067.669 -1330000.0 -1.38 -1.5619 -0.9708 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M15 compound treatment 2979397.436 -1230000.0 -1.33 2029477.876 -1840000.0 -1.91 -2.2901 -0.9843 3614627 BCB03_000859 O[C@@H](Cc1ccccc1)[C@H]2O[C@@H](Cc3ccccc3)[C@@H](/C=C/C4CC4)N2CC#C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M16 compound treatment 3216144.444 -989000.0 -1.07 2531490.132 -1330000.0 -1.39 -1.7396 -0.9919 3215890 BCB03_000860 COCC1=C2[C@H](OB(O)C[C@@H]2n3n(C1)c(=O)n(c4ccccc4)c3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M17 compound treatment 3133753.086 -1070000.0 -1.16 3494214.545 -372000.0 -0.39 -1.0952 -0.8943 3562141 BCB03_000861 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@H](/C=C/C3CC3)[C@@H](O)Cc4ccccc4)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M18 compound treatment 2109926.829 -2100000.0 -2.27 2236325.581 -1630000.0 -1.69 -2.8047 -0.9896 3215888 BCB03_000862 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@H](O1)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M19 compound treatment 2745562.738 -1460000.0 -1.58 3052036.496 -814000.0 -0.85 -1.7178 -0.957 3614632 BCB03_000863 O=C1O[C@H](C2CCCCC2)[C@H](/C=C/C3CC3)N(CC#C)C1Cc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M20 compound treatment 2671385.965 -1530000.0 -1.66 2895540.107 -971000.0 -1.01 -1.8897 -0.9713 3215943 BCB03_000864 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)c4ccccc4C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M21 compound treatment 2937017.986 -1270000.0 -1.38 2957820.423 -909000.0 -0.94 -1.6403 -0.9832 3614636 BCB03_000865 O=C1O[C@@H]([C@@H]2[C@H]3C=CCCC=C3CN2C1Cc4ccccc4)C5CCCCC5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M22 compound treatment 2486296.703 -1720000.0 -1.86 2719500.0 -1150000.0 -1.19 -2.161 -0.9767 3215941 BCB03_000866 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)c4ccccc4C3=O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M23 compound treatment 2735950.943 -1470000.0 -1.59 3045759.857 -821000.0 -0.85 -1.7298 -0.9571 3614641 BCB03_000867 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3[C@H](/C=C/C4CC4)[C@H](Cc5ccccc5)OC3=O)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 M24 compound treatment 2060804.196 -2140000.0 -2.33 2103614.943 -1760000.0 -1.83 -2.9399 -0.993 3215939 BCB03_000868 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)c4ccccc4)COc5ccccc5)C(=O)c6ccccc6C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N01 compound treatment 4086600.0 -119000.0 -0.13 3796730.964 -69700.0 -0.07 -0.1423 -0.9628 3614646 BCB03_000869 C=CCOC(=O)[C@@]1(O[C@@]23COC[C@@H](N3C1=O)c4ccccc4)[C@H]5[C@@H]2C(=O)N(C5=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N02 mock treatment 4763966.805 558000.0 0.61 4276717.593 410000.0 0.43 0.7298 0.9853 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N03 compound treatment 4636018.433 431000.0 0.47 4624300.412 758000.0 0.79 0.8871 0.9688 3614650 BCB03_000870 C=CCOC(=O)[C@]1(O[C@]23COC[C@@H](N3C1=O)c4ccccc4)[C@@H]5[C@H]2C(=O)N(C5=O)c6ccccc6 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N04 mock treatment 4402821.429 197000.0 0.21 4793246.512 927000.0 0.96 0.8325 0.8436 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N05 compound treatment 4789267.38 584000.0 0.63 4374134.328 508000.0 0.53 0.8208 0.9959 3614652 BCB03_000871 O=C(NCc1ccccc1)[C@@]2(O[C@@]34COC[C@@H](N4C2=O)c5ccccc5)[C@H]6[C@@H]3C(=O)N(C6=O)c7ccccc7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N06 mock treatment 4704721.154 499000.0 0.54 4573727.273 707000.0 0.74 0.9026 0.9887 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N07 compound treatment 4322446.494 117000.0 0.13 4404689.655 538000.0 0.56 0.4853 0.8459 3614656 BCB03_000872 O=C(NCCc1c[nH]c2ccccc12)[C@@]3(O[C@@]45COC[C@@H](N5C3=O)c6ccccc6)[C@H]7[C@@H]4C(=O)N(C7=O)c8ccccc8 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N08 mock treatment 4832147.783 627000.0 0.68 3894153.226 27800.0 0.03 0.5009 0.7365 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N09 mock treatment 4321892.241 116000.0 0.13 4201965.649 336000.0 0.35 0.3359 0.9055 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N10 mock treatment 4660854.369 455000.0 0.49 4100319.838 234000.0 0.24 0.5211 0.9468 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N11 compound treatment 3664370.892 -541000.0 -0.59 4033896.154 168000.0 0.17 -0.2917 -0.4767 3614660 BCB03_000873 COC(=O)c1c(COC[C@@H](NC(=O)N(C)Cc2ccccc2)c3ccccc3)oc(C(=O)OCC=C)c1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N12 mock treatment 3605056.856 -600000.0 -0.65 4110864.407 244000.0 0.25 -0.2806 -0.4016 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N13 mock treatment 3581735.714 -624000.0 -0.68 3991230.126 125000.0 0.13 -0.3865 -0.5612 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N14 mock treatment 4043027.778 -162000.0 -0.18 3772845.238 -93500.0 -0.1 -0.1933 -0.9608 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N15 compound treatment 2284517.045 -1920000.0 -2.08 3168632.768 -698000.0 -0.73 -1.9856 -0.9003 3614664 BCB03_000874 COc1cc(/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCc3ccc(cc3C(F)(F)F)C(F)(F)F 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N16 mock treatment 3508197.674 -697000.0 -0.76 3888500.0 22100.0 0.02 -0.5183 -0.6853 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N17 compound treatment 3843246.269 -362000.0 -0.39 3800643.678 -65700.0 -0.07 -0.326 -0.8179 1917883 BCB03_000875 O/N=C/1\C2(CCCCC2)C(=O)N(O)C31CCCC=C3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N18 mock treatment 3312924.399 -893000.0 -0.97 3400376.712 -466000.0 -0.48 -1.0268 -0.9488 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N19 compound treatment 2925410.48 -1280000.0 -1.39 3154950.758 -711000.0 -0.74 -1.5043 -0.9566 3614668 BCB03_000876 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)n7c(=O)[nH]c8ccccc78)C(=C5)C(=O)c9cc%10ccccc%10s9 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N20 mock treatment 3282190.789 -923000.0 -1.0 3372888.06 -493000.0 -0.51 -1.0706 -0.9518 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N21 compound treatment 3061614.334 -1140000.0 -1.24 3356537.594 -510000.0 -0.53 -1.2517 -0.9281 3614669 BCB03_000877 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)n7c(=O)[nH]c8ccccc78)C(=C5)C(=O)C9CCCCC9 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N22 mock treatment 3371357.143 -834000.0 -0.9 3418857.627 -448000.0 -0.47 -0.9684 -0.9522 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N23 compound treatment 3155284.768 -1050000.0 -1.14 3425081.56 -441000.0 -0.46 -1.1295 -0.9201 3614671 BCB03_000878 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)C(=O)N)C(=C5)C(=O)c7ccc(F)c(F)c7 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 N24 mock treatment 2648802.158 -1560000.0 -1.69 3035725.664 -831000.0 -0.86 -1.804 -0.9515 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O01 compound treatment 3033907.104 -1170000.0 -1.27 2784032.258 -1080000.0 -1.13 -1.6937 -0.9982 3614673 BCB03_000879 COC(=O)[C@H](Cc1ccccc1)N2[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O02 compound treatment 3978784.173 -227000.0 -0.25 3649529.412 -217000.0 -0.23 -0.3332 -0.9991 2065712 BCB03_000880 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O03 compound treatment 4040982.979 -164000.0 -0.18 4079768.34 213000.0 0.22 0.0307 0.1079 3614677 BCB03_000881 COC(=O)C1(CCCC1)N2[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O04 compound treatment 3774164.336 -431000.0 -0.47 4069946.565 204000.0 0.21 -0.1811 -0.3528 3215981 BCB03_000882 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O05 compound treatment 3292718.085 -913000.0 -0.99 2954391.96 -912000.0 -0.95 -1.3701 -0.9998 3614680 BCB03_000883 COC(=O)[C@H](Cc1ccccc1)N2[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O06 compound treatment 3411902.439 -794000.0 -0.86 3818666.667 -47700.0 -0.05 -0.6435 -0.7466 3215977 BCB03_000884 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)c3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O07 compound treatment 3866682.171 -339000.0 -0.37 4054106.618 188000.0 0.2 -0.1218 -0.2928 3563099 BCB03_000885 COC(=O)C1=CN(C)C(C)c2ccccc2C=C1C(=O)OC 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O08 compound treatment 3474860.806 -731000.0 -0.79 3896792.157 30400.0 0.03 -0.5378 -0.6784 2065737 BCB03_000886 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O09 compound treatment 3915151.292 -290000.0 -0.31 3787429.15 -79000.0 -0.08 -0.2806 -0.8626 3563100 BCB03_000887 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@H](C)c3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O10 compound treatment 3585733.333 -620000.0 -0.67 3913701.818 47300.0 0.05 -0.4404 -0.6536 3215979 BCB03_000888 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O11 mock treatment 3705737.828 -500000.0 -0.54 4124194.553 258000.0 0.27 -0.1937 -0.3204 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O12 mock treatment 3744065.502 -461000.0 -0.5 4442165.829 576000.0 0.6 0.0694 0.089 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O13 compound treatment 3621850.746 -584000.0 -0.63 3944103.896 77700.0 0.08 -0.3903 -0.6119 3563102 BCB03_000889 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@@H](C)c3ccccc23 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O14 compound treatment 3474341.727 -731000.0 -0.79 3968522.124 102000.0 0.11 -0.4855 -0.607 3215975 BCB03_000890 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O15 compound treatment 3288253.731 -917000.0 -0.99 3649537.849 -217000.0 -0.23 -0.8626 -0.8459 3563103 BCB03_000891 CC1N(C)/C(=N\P(=O)(Oc2ccccc2)Oc3ccccc3)/Cc4ccccc14 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O16 compound treatment 3820325.792 -385000.0 -0.42 3925843.882 59500.0 0.06 -0.2516 -0.596 3215878 BCB03_000892 CC1=C([C@H](O)c2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O17 compound treatment 3250723.404 -955000.0 -1.04 3154686.486 -712000.0 -0.74 -1.2551 -0.9864 3563106 BCB03_000893 CN/1C(C=C)c2ccccc2C\C1=N\P(=O)(Oc3ccccc3)Oc4ccccc4 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O18 compound treatment 3015352.542 -1190000.0 -1.29 3527406.593 -339000.0 -0.35 -1.1616 -0.8684 3215876 BCB03_000894 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O19 compound treatment 3955453.39 -250000.0 -0.27 3868949.309 2560.0 0.0 -0.1898 -0.7001 3563109 BCB03_000895 CCOC(=O)C1=C2[C@H](ON1)N(C)[C@@H](C3CC3)c4ccccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O20 compound treatment 3175948.148 -1030000.0 -1.12 3080016.461 -786000.0 -0.82 -1.3673 -0.9883 3215874 BCB03_000896 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O21 compound treatment 3231791.367 -974000.0 -1.06 3553710.744 -313000.0 -0.33 -0.9763 -0.8839 3563111 BCB03_000897 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@@H](C3CC3)c4ccccc24 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O22 compound treatment 3168960.159 -1040000.0 -1.12 3107891.566 -758000.0 -0.79 -1.3522 -0.985 3216007 BCB03_000898 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O23 compound treatment 3214117.978 -991000.0 -1.07 2875902.857 -990000.0 -1.03 -1.488 -0.9998 3563112 BCB03_000899 CN/1C(C2CC2)c3ccccc3C\C1=N\P(=O)(Oc4ccccc4)Oc5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 O24 compound treatment 2688824.219 -1520000.0 -1.64 2913218.884 -953000.0 -0.99 -1.8634 -0.9706 3216011 BCB03_000900 COC[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5ccccc5 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P01 compound treatment 3328640.625 -877000.0 -0.95 3454336.683 -412000.0 -0.43 -0.9751 -0.9351 3614688 BCB03_000901 COc1ccc(cc1OC2CCCC2)C3=NOC(C3)C(=O)NO 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P02 mock treatment 4312284.314 107000.0 0.12 4456098.131 590000.0 0.61 0.5153 0.8261 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P03 compound treatment 2041134.615 -2160000.0 -2.35 2432128.571 -1430000.0 -1.49 -2.7135 -0.976 3614690 BCB03_000902 CC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P04 mock treatment 3804422.131 -401000.0 -0.43 4250629.268 384000.0 0.4 -0.0251 -0.0425 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P05 compound treatment 4196018.1 -9450.0 -0.01 3766399.267 -100000.0 -0.1 -0.0807 -0.7731 3614693 BCB03_000903 COC(=O)c1cn(CC(=O)O)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P06 mock treatment 3822960.159 -383000.0 -0.41 4434338.624 568000.0 0.59 0.1242 0.1721 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P07 compound treatment 3891929.907 -314000.0 -0.34 4129816.964 263000.0 0.27 -0.0468 -0.1072 3614695 BCB03_000904 COC(=O)c1cn(CCC(=O)O)nn1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P08 mock treatment 3564116.0 -641000.0 -0.7 3366380.342 -500000.0 -0.52 -0.8592 -0.9897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P09 compound treatment 3465654.275 -740000.0 -0.8 3548645.756 -318000.0 -0.33 -0.8007 -0.9231 1366116 BCB03_000905 Brc1ccc2ncnc(NCC=C)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P10 mock treatment 3586129.032 -619000.0 -0.67 3389995.575 -476000.0 -0.5 -0.825 -0.9888 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P11 mock treatment 3278585.366 -927000.0 -1.0 3549243.346 -317000.0 -0.33 -0.9437 -0.8923 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P12 mock treatment 3238492.366 -967000.0 -1.05 3579840.149 -287000.0 -0.3 -0.952 -0.8734 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P13 compound treatment 3277200.0 -928000.0 -1.01 3324910.299 -541000.0 -0.56 -1.1097 -0.9623 1263689 BCB03_000906 Brc1ccc2ncnc(NCc3ccccc3)c2c1 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P14 mock treatment 3404358.333 -801000.0 -0.87 3212132.867 -654000.0 -0.68 -1.0951 -0.9927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P15 compound treatment 3209945.017 -996000.0 -1.08 3481189.286 -385000.0 -0.4 -1.0464 -0.9089 1385097 BCB03_000907 CCCNc1ncnc2ccc(Br)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P16 mock treatment 2934323.024 -1270000.0 -1.38 3323444.898 -543000.0 -0.56 -1.3736 -0.9223 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P17 compound treatment 2824636.964 -1380000.0 -1.5 3430180.887 -436000.0 -0.45 -1.3793 -0.8817 3614697 BCB03_000908 CC(C)(C)OC(=O)NCCOCCOCCNc1ncnc2ccc(Br)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P18 mock treatment 3160305.677 -1050000.0 -1.13 3123024.561 -743000.0 -0.77 -1.3477 -0.9826 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P19 compound treatment 3001027.397 -1200000.0 -1.31 3449717.391 -417000.0 -0.43 -1.2297 -0.8937 3614698 BCB03_000909 CCOc1ncnc2ccc(Br)cc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P20 mock treatment 2782093.333 -1420000.0 -1.54 2932206.081 -934000.0 -0.97 -1.7779 -0.9751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P21 compound treatment 2943704.626 -1260000.0 -1.37 3119371.025 -747000.0 -0.78 -1.5164 -0.964 1985613 BCB03_000910 C=CCNc1ncnc2ccccc12 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P22 mock treatment 1594665.605 -2610000.0 -2.83 2994000.0 -872000.0 -0.91 -2.6429 -0.8891 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P23 compound treatment 3052392.857 -1150000.0 -1.25 3146147.727 -720000.0 -0.75 -1.4134 -0.9699 1412880 BCB03_000911 C(Nc1ncnc2ccccc12)c3ccccc3 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.2283 P24 mock treatment 2574863.333 -1630000.0 -1.77 2754483.271 -1110000.0 -1.16 -2.0674 -0.9788 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A01 mock treatment 3680960.159 523000.0 0.57 3519571.429 52100.0 0.05 0.4394 0.7711 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A02 mock treatment 3564869.718 407000.0 0.44 3754975.962 287000.0 0.3 0.5234 0.982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A03 mock treatment 3470959.259 313000.0 0.34 4073308.271 606000.0 0.63 0.6853 0.958 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A04 mock treatment 3377861.111 220000.0 0.24 3625481.203 158000.0 0.16 0.2848 0.9834 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A05 mock treatment 2975845.324 -182000.0 -0.2 3692838.428 225000.0 0.23 0.0261 0.0852 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A06 mock treatment 2976797.101 -181000.0 -0.2 3502587.444 35100.0 0.04 -0.113 -0.566 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A07 mock treatment 3214158.915 56300.0 0.06 3640194.215 173000.0 0.18 0.1701 0.8972 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A08 mock treatment 3118419.118 -39400.0 -0.04 3445111.57 -22400.0 -0.02 -0.0467 -0.9591 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A09 mock treatment 2924442.748 -233000.0 -0.25 3206042.471 -261000.0 -0.27 -0.3711 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A10 mock treatment 2967707.865 -190000.0 -0.21 3059704.348 -408000.0 -0.42 -0.4455 -0.9452 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A11 mock treatment 3000867.55 -157000.0 -0.17 3379535.714 -87900.0 -0.09 -0.185 -0.9575 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A12 mock treatment 3315055.556 157000.0 0.17 3653477.178 186000.0 0.19 0.2572 0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A13 mock treatment 3309656.827 152000.0 0.16 3432916.996 -34600.0 -0.04 0.091 0.5401 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A14 mock treatment 3068908.367 -88900.0 -0.1 3335082.251 -132000.0 -0.14 -0.1655 -0.9849 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A15 mock treatment 3067019.084 -90800.0 -0.1 3342465.812 -125000.0 -0.13 -0.1615 -0.9906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A16 mock treatment 3087619.772 -70200.0 -0.08 3313578.313 -154000.0 -0.16 -0.1669 -0.9423 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A17 mock treatment 3029137.324 -129000.0 -0.14 3174276.753 -293000.0 -0.3 -0.3142 -0.9373 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A18 mock treatment 3009043.796 -149000.0 -0.16 3325808.943 -142000.0 -0.15 -0.2182 -0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A19 mock treatment 2774666.667 -383000.0 -0.42 3309327.935 -158000.0 -0.16 -0.41 -0.9177 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A20 mock treatment 3181419.608 23600.0 0.03 3421673.469 -45800.0 -0.05 -0.0156 -0.2883 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A21 mock treatment 3011011.278 -147000.0 -0.16 3581720.0 114000.0 0.12 -0.0286 -0.144 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A22 mock treatment 3009702.899 -148000.0 -0.16 3482764.706 15300.0 0.02 -0.1023 -0.6341 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A23 mock treatment 3033214.545 -125000.0 -0.14 3640502.203 173000.0 0.18 0.0316 0.1406 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base A24 mock treatment 3224055.351 66200.0 0.07 4348313.364 881000.0 0.92 0.6982 0.7602 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B01 mock treatment 3449448.43 292000.0 0.32 3696723.301 229000.0 0.24 0.3921 0.9903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B02 mock treatment 3835913.793 678000.0 0.74 4005424.528 538000.0 0.56 0.9153 0.9909 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B03 mock treatment 4084097.015 926000.0 1.0 4026619.608 559000.0 0.58 1.1211 0.9662 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B04 mock treatment 3555742.049 398000.0 0.43 4048216.867 581000.0 0.6 0.7319 0.9864 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B05 mock treatment 3105726.592 -52100.0 -0.06 3866796.61 399000.0 0.42 0.2535 0.6053 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B06 mock treatment 3766859.848 609000.0 0.66 4529669.456 1060000.0 1.1 1.2476 0.9698 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B07 mock treatment 3136849.817 -21000.0 -0.02 3822550.562 355000.0 0.37 0.2449 0.6623 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B08 mock treatment 3123519.856 -34300.0 -0.04 4273952.174 806000.0 0.84 0.5664 0.6751 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B09 mock treatment 3414181.481 256000.0 0.28 3837964.981 370000.0 0.39 0.4688 0.9872 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B10 mock treatment 3550442.105 393000.0 0.43 3643084.942 176000.0 0.18 0.4301 0.9285 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B11 mock treatment 2836260.135 -322000.0 -0.35 3780963.115 313000.0 0.33 -0.0161 -0.0338 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B12 mock treatment 3114916.667 -42900.0 -0.05 3221945.205 -246000.0 -0.26 -0.2134 -0.8225 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B13 mock treatment 3148262.238 -9570.0 -0.01 3298325.758 -169000.0 -0.18 -0.1317 -0.7475 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B14 mock treatment 3338554.839 181000.0 0.2 3511506.608 44000.0 0.05 0.1709 0.8494 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B15 mock treatment 3054703.072 -103000.0 -0.11 3722205.24 255000.0 0.26 0.1081 0.3763 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B16 mock treatment 2804553.633 -353000.0 -0.38 3608365.314 141000.0 0.15 -0.1673 -0.408 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B17 mock treatment 3024684.211 -133000.0 -0.14 3372023.729 -95500.0 -0.1 -0.1722 -0.9833 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B18 mock treatment 3069554.348 -88300.0 -0.1 3421398.524 -46100.0 -0.05 -0.1016 -0.9488 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B19 mock treatment 3204226.804 46400.0 0.05 3590802.721 123000.0 0.13 0.1262 0.9166 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B20 mock treatment 3215644.195 57800.0 0.06 3820995.951 354000.0 0.37 0.3041 0.816 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B21 mock treatment 3082848.057 -75000.0 -0.08 3314303.571 -153000.0 -0.16 -0.1701 -0.9513 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B22 mock treatment 3068679.715 -89100.0 -0.1 3703633.333 236000.0 0.25 0.1052 0.3988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B23 mock treatment 2968800.738 -189000.0 -0.2 3401230.469 -66300.0 -0.07 -0.1936 -0.8955 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base B24 mock treatment 2890237.931 -268000.0 -0.29 3155018.182 -312000.0 -0.32 -0.4348 -0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C01 mock treatment 4088520.362 931000.0 1.01 4304960.177 837000.0 0.87 1.3291 0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C02 mock treatment 4532612.5 1370000.0 1.49 4849921.053 1380000.0 1.44 2.0701 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C03 mock treatment 3985245.552 827000.0 0.9 4413305.221 946000.0 0.98 1.3295 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C04 mock treatment 3700097.122 542000.0 0.59 4087489.474 620000.0 0.64 0.8714 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C05 mock treatment 3803042.471 645000.0 0.7 4686603.306 1220000.0 1.27 1.3907 0.9608 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C06 mock treatment 3369525.896 212000.0 0.23 4480214.912 1010000.0 1.05 0.9066 0.8415 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C07 mock treatment 3236975.694 79100.0 0.09 3983941.98 516000.0 0.54 0.4403 0.8099 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C08 mock treatment 3120983.974 -36800.0 -0.04 3911046.218 444000.0 0.46 0.2978 0.6434 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C09 mock treatment 3286870.307 129000.0 0.14 3740566.372 273000.0 0.28 0.2996 0.9469 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C10 mock treatment 3281186.567 123000.0 0.13 3780579.365 313000.0 0.33 0.3247 0.9228 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C11 mock treatment 3237801.325 80000.0 0.09 3966822.511 499000.0 0.52 0.4283 0.814 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C12 mock treatment 2866593.373 -291000.0 -0.32 3734748.954 267000.0 0.28 -0.0269 -0.0639 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C13 mock treatment 3202075.812 44200.0 0.05 3644942.748 177000.0 0.18 0.1644 0.8623 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C14 mock treatment 3275148.026 117000.0 0.13 3547580.071 80100.0 0.08 0.1488 0.9789 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C15 mock treatment 3011211.921 -147000.0 -0.16 3881745.968 414000.0 0.43 0.1921 0.4184 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C16 mock treatment 3224209.559 66400.0 0.07 3995410.569 528000.0 0.55 0.4389 0.7931 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C17 mock treatment 3127614.035 -30200.0 -0.03 3499066.667 31600.0 0.03 0.0 0.001 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C18 mock treatment 3435169.96 277000.0 0.3 4026729.927 559000.0 0.58 0.6237 0.9529 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C19 mock treatment 3228832.808 71000.0 0.08 3981373.494 514000.0 0.53 0.4321 0.8007 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C20 mock treatment 3315574.545 158000.0 0.17 3965857.678 498000.0 0.52 0.4872 0.8932 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C21 mock treatment 3632975.694 475000.0 0.52 4101077.519 634000.0 0.66 0.83 0.9926 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C22 mock treatment 3526896.321 369000.0 0.4 3924954.373 457000.0 0.48 0.6192 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C23 mock treatment 3943321.192 785000.0 0.85 3869335.968 402000.0 0.42 0.8976 0.9462 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base C24 mock treatment 4092445.902 935000.0 1.01 4623413.428 1160000.0 1.2 1.5661 0.9964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D01 mock treatment 4513612.0 1360000.0 1.47 4994606.426 1530000.0 1.59 2.1619 0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D02 mock treatment 4087456.432 930000.0 1.01 4801066.079 1330000.0 1.39 1.6929 0.9878 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D03 mock treatment 3915054.745 757000.0 0.82 4634746.667 1170000.0 1.21 1.4385 0.9819 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D04 mock treatment 3942217.391 784000.0 0.85 5078553.191 1610000.0 1.67 1.7855 0.9507 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D05 mock treatment 3628317.343 470000.0 0.51 6384193.798 2920000.0 3.03 2.5044 0.8146 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D06 mock treatment 3685669.202 528000.0 0.57 5764578.947 2300000.0 2.39 2.093 0.8525 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D07 mock treatment 3351593.22 194000.0 0.21 5346518.072 1880000.0 1.95 1.5296 0.7787 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D08 mock treatment 3128668.79 -29200.0 -0.03 4956386.282 1490000.0 1.55 1.0719 0.6925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D09 mock treatment 3232030.508 74200.0 0.08 4160837.104 693000.0 0.72 0.5665 0.7812 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D10 mock treatment 3190699.275 32900.0 0.04 3622072.368 155000.0 0.16 0.1388 0.8434 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D11 mock treatment 3566710.438 409000.0 0.44 4432623.482 965000.0 1.0 1.0228 0.9326 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D12 mock treatment 3032958.466 -125000.0 -0.14 3775300.0 308000.0 0.32 0.1305 0.3756 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D13 mock treatment 2955521.739 -202000.0 -0.22 3760422.481 293000.0 0.3 0.0602 0.1604 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D14 mock treatment 2908131.41 -250000.0 -0.27 3717530.075 250000.0 0.26 -0.0077 -0.0204 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D15 mock treatment 3231531.69 73700.0 0.08 3911037.037 444000.0 0.46 0.3825 0.8175 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D16 mock treatment 3180516.129 22700.0 0.02 3659149.813 192000.0 0.2 0.1583 0.7884 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D17 mock treatment 2941493.464 -216000.0 -0.23 3417300.0 -50200.0 -0.05 -0.2027 -0.8437 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D18 mock treatment 2947439.114 -210000.0 -0.23 3915697.479 448000.0 0.47 0.1681 0.3241 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D19 mock treatment 3028161.184 -130000.0 -0.14 3597171.429 130000.0 0.13 -0.0041 -0.021 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D20 mock treatment 3223185.976 65400.0 0.07 3785359.431 318000.0 0.33 0.2837 0.8397 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D21 mock treatment 3193889.205 36100.0 0.04 3901341.085 434000.0 0.45 0.3465 0.7655 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D22 mock treatment 2817026.786 -341000.0 -0.37 3782003.788 315000.0 0.33 -0.0301 -0.0611 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D23 mock treatment 2970748.322 -187000.0 -0.2 3990617.188 523000.0 0.54 0.2411 0.4154 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base D24 mock treatment 2900898.773 -257000.0 -0.28 3513160.92 45700.0 0.05 -0.1634 -0.5783 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E01 mock treatment 3920294.118 762000.0 0.83 4401828.326 934000.0 0.97 1.2713 0.9968 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E02 mock treatment 3855803.347 698000.0 0.76 4793381.743 1330000.0 1.38 1.5096 0.9602 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E03 mock treatment 3657298.507 499000.0 0.54 4685844.538 1220000.0 1.27 1.2784 0.9282 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E04 mock treatment 3750469.925 593000.0 0.64 4686567.797 1220000.0 1.27 1.3504 0.9505 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E05 mock treatment 3778412.214 621000.0 0.67 4477383.764 1010000.0 1.05 1.218 0.9769 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E06 mock treatment 3433784.983 276000.0 0.3 4551625.468 1080000.0 1.13 1.0084 0.8649 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E07 mock treatment 3309264.026 151000.0 0.16 4288429.134 821000.0 0.85 0.7195 0.828 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E08 mock treatment 3367601.423 210000.0 0.23 4194510.204 727000.0 0.76 0.6952 0.8809 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E09 mock treatment 3475551.724 318000.0 0.34 3989987.395 523000.0 0.54 0.6276 0.9759 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E10 mock treatment 3298858.657 141000.0 0.15 3998439.286 531000.0 0.55 0.4984 0.8702 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E11 mock treatment 3364807.018 207000.0 0.22 4103525.49 636000.0 0.66 0.6262 0.8969 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E12 mock treatment 3291217.532 133000.0 0.14 4220612.403 753000.0 0.78 0.6558 0.8238 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E13 mock treatment 3285569.659 128000.0 0.14 3981805.556 514000.0 0.53 0.476 0.8619 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E14 mock treatment 3375704.797 218000.0 0.24 4055884.758 588000.0 0.61 0.5995 0.9144 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E15 mock treatment 2993964.072 -164000.0 -0.18 3758234.114 291000.0 0.3 0.0881 0.2512 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E16 mock treatment 3274069.079 116000.0 0.13 4015037.453 548000.0 0.57 0.4916 0.8433 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E17 mock treatment 3221513.846 63700.0 0.07 4085093.525 618000.0 0.64 0.5028 0.7787 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E18 mock treatment 3281411.576 124000.0 0.13 4138202.335 671000.0 0.7 0.5877 0.8279 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E19 mock treatment 3335889.968 178000.0 0.19 4306204.082 839000.0 0.87 0.753 0.8433 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E20 mock treatment 3511927.152 354000.0 0.38 4260514.599 793000.0 0.82 0.8543 0.9395 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E21 mock treatment 3488577.855 331000.0 0.36 4281427.046 814000.0 0.85 0.8518 0.927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E22 mock treatment 3492860.068 335000.0 0.36 4287523.81 820000.0 0.85 0.8596 0.9277 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E23 mock treatment 3481137.313 323000.0 0.35 3851802.12 384000.0 0.4 0.5303 0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base E24 mock treatment 4368860.656 1210000.0 1.31 3626099.174 159000.0 0.16 1.0451 0.7897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F01 mock treatment 4481070.796 1320000.0 1.43 4220384.937 753000.0 0.78 1.5679 0.9594 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F02 mock treatment 4307313.725 1150000.0 1.25 4529565.022 1060000.0 1.1 1.6619 0.9982 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F03 mock treatment 4029440.154 872000.0 0.95 4223025.316 756000.0 0.79 1.2236 0.9958 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F04 mock treatment 3796365.314 639000.0 0.69 4562776.515 1100000.0 1.14 1.2946 0.9716 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F05 mock treatment 4117536.765 960000.0 1.04 4400206.897 933000.0 0.97 1.4213 0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F06 mock treatment 3681288.732 523000.0 0.57 4976360.324 1510000.0 1.57 1.5103 0.9055 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F07 mock treatment 3653806.557 496000.0 0.54 4196927.798 729000.0 0.76 0.9164 0.9858 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F08 mock treatment 3406380.503 249000.0 0.27 4041897.81 574000.0 0.6 0.6127 0.9354 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F09 mock treatment 3384658.385 227000.0 0.25 3605946.97 138000.0 0.14 0.2757 0.9674 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F10 mock treatment 3435324.415 277000.0 0.3 3713120.401 246000.0 0.26 0.3933 0.9967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F11 mock treatment 3595796.296 438000.0 0.47 3676303.371 209000.0 0.22 0.4893 0.9371 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F12 mock treatment 3424026.144 266000.0 0.29 3803127.119 336000.0 0.35 0.4508 0.9956 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F13 mock treatment 3132129.45 -25700.0 -0.03 3488007.463 20500.0 0.02 -0.0046 -0.1317 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F14 mock treatment 3182269.841 24400.0 0.03 3618785.156 151000.0 0.16 0.1299 0.8148 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F15 mock treatment 3044857.143 -113000.0 -0.12 3234171.233 -233000.0 -0.24 -0.2581 -0.95 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F16 mock treatment 3173085.987 15300.0 0.02 3363887.043 -104000.0 -0.11 -0.0644 -0.5915 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F17 mock treatment 3242249.097 84400.0 0.09 3487676.19 20200.0 0.02 0.0796 0.8472 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F18 mock treatment 3154031.949 -3800.0 0.0 3467647.458 162.0 0.0 -0.0028 -0.6776 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F19 mock treatment 3189918.728 32100.0 0.03 3522642.361 55200.0 0.06 0.0651 0.9714 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F20 mock treatment 3020804.954 -137000.0 -0.15 3335414.141 -132000.0 -0.14 -0.2021 -0.9992 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F21 mock treatment 2945707.386 -212000.0 -0.23 3375598.616 -91900.0 -0.1 -0.2302 -0.9242 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F22 mock treatment 3200304.054 42500.0 0.05 3482152.985 14700.0 0.02 0.0433 0.8935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F23 mock treatment 3080493.865 -77300.0 -0.08 3481238.562 13800.0 0.01 -0.0492 -0.5782 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base F24 mock treatment 3020559.211 -137000.0 -0.15 3384694.245 -82800.0 -0.09 -0.1661 -0.9661 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G01 mock treatment 4386430.38 1230000.0 1.33 4329627.358 862000.0 0.9 1.5756 0.9814 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G02 mock treatment 4666464.435 1510000.0 1.64 4716905.172 1250000.0 1.3 2.075 0.9935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G03 mock treatment 3949224.638 791000.0 0.86 4192202.532 725000.0 0.75 1.1394 0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G04 mock treatment 3942829.365 785000.0 0.85 4169233.202 702000.0 0.73 1.1176 0.997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G05 mock treatment 3784862.319 627000.0 0.68 3742342.975 275000.0 0.29 0.6828 0.9258 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G06 mock treatment 3678477.941 521000.0 0.56 3737144.0 270000.0 0.28 0.5974 0.9478 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G07 mock treatment 3647642.612 490000.0 0.53 3478795.62 11300.0 0.01 0.3838 0.7226 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G08 mock treatment 3555063.333 397000.0 0.43 3299110.727 -168000.0 -0.18 0.1808 0.3889 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G09 mock treatment 2778952.381 -379000.0 -0.41 3164314.685 -303000.0 -0.32 -0.5133 -0.9914 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G10 mock treatment 2956639.871 -201000.0 -0.22 3146099.617 -321000.0 -0.33 -0.3905 -0.9787 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G11 mock treatment 3513391.304 356000.0 0.39 3493007.937 25500.0 0.03 0.2914 0.754 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G12 mock treatment 3495903.226 338000.0 0.37 3589940.945 122000.0 0.13 0.3492 0.8999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G13 mock treatment 3216166.102 58300.0 0.06 3629275.0 162000.0 0.17 0.1636 0.9108 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G14 mock treatment 2845876.254 -312000.0 -0.34 3243924.915 -224000.0 -0.23 -0.4035 -0.9832 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G15 mock treatment 2859237.805 -299000.0 -0.32 3304733.553 -163000.0 -0.17 -0.3485 -0.9542 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G16 mock treatment 2889428.135 -268000.0 -0.29 3012286.689 -455000.0 -0.47 -0.5403 -0.9728 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G17 mock treatment 3560816.254 403000.0 0.44 3377202.797 -90300.0 -0.09 0.2426 0.5429 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G18 mock treatment 3309408.304 152000.0 0.16 3351549.091 -116000.0 -0.12 0.031 0.1521 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G19 mock treatment 3390440.397 233000.0 0.25 3304600.0 -163000.0 -0.17 0.0586 0.193 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G20 mock treatment 3158789.831 960.0 0.0 3577200.787 110000.0 0.11 0.0814 0.7135 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G21 mock treatment 3277948.052 120000.0 0.13 3388613.027 -78900.0 -0.08 0.0341 0.2217 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G22 mock treatment 3428953.901 271000.0 0.29 3720288.321 253000.0 0.26 0.3937 0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G23 mock treatment 3597438.462 440000.0 0.48 3614018.248 147000.0 0.15 0.4447 0.8888 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base G24 mock treatment 3312429.054 155000.0 0.17 3408079.681 -59400.0 -0.06 0.0749 0.4191 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H01 mock treatment 4343307.116 1190000.0 1.29 3885085.106 418000.0 0.43 1.2158 0.8962 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H02 mock treatment 4558361.702 1400000.0 1.52 4101567.686 634000.0 0.66 1.5398 0.9302 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H03 mock treatment 4604381.132 1450000.0 1.57 3677515.625 210000.0 0.22 1.2634 0.7978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H04 mock treatment 4416225.0 1260000.0 1.36 4075849.372 608000.0 0.63 1.4119 0.9389 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H05 mock treatment 3805727.915 648000.0 0.7 3751979.592 284000.0 0.3 0.7058 0.9261 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H06 mock treatment 3871669.091 714000.0 0.77 3765434.109 298000.0 0.31 0.7663 0.9192 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H07 mock treatment 3572175.373 414000.0 0.45 3377012.821 -90500.0 -0.09 0.2512 0.5472 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H08 mock treatment 3618393.939 461000.0 0.5 3333624.573 -134000.0 -0.14 0.2547 0.4914 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H09 mock treatment 3685928.854 528000.0 0.57 3328351.171 -139000.0 -0.14 0.3026 0.5124 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H10 mock treatment 3400865.32 243000.0 0.26 3204062.069 -263000.0 -0.27 -0.0073 -0.0191 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H11 mock treatment 3118708.475 -39100.0 -0.04 3226437.722 -241000.0 -0.25 -0.2072 -0.8152 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H12 mock treatment 3117848.875 -40000.0 -0.04 3124035.088 -343000.0 -0.36 -0.2831 -0.7872 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H13 mock treatment 2848472.789 -309000.0 -0.34 3272219.595 -195000.0 -0.2 -0.3807 -0.971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H14 mock treatment 2681656.14 -476000.0 -0.52 3003857.651 -464000.0 -0.48 -0.7058 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H15 mock treatment 2775759.868 -382000.0 -0.41 3005471.761 -462000.0 -0.48 -0.6325 -0.9973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H16 mock treatment 3076120.275 -81700.0 -0.09 2924306.62 -543000.0 -0.56 -0.4619 -0.8082 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H17 mock treatment 2873071.186 -285000.0 -0.31 3147180.851 -320000.0 -0.33 -0.4537 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H18 mock treatment 2939650.327 -218000.0 -0.24 3078698.962 -389000.0 -0.4 -0.453 -0.9675 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H19 mock treatment 3051353.16 -106000.0 -0.12 2916902.439 -551000.0 -0.57 -0.4863 -0.833 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H20 mock treatment 2617164.516 -541000.0 -0.59 2983343.537 -484000.0 -0.5 -0.7704 -0.9971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H21 mock treatment 2752835.913 -405000.0 -0.44 3226037.037 -241000.0 -0.25 -0.488 -0.9648 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H22 mock treatment 2676594.684 -481000.0 -0.52 2992671.587 -475000.0 -0.49 -0.7179 -0.9996 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H23 mock treatment 2846540.881 -311000.0 -0.34 3181159.42 -286000.0 -0.3 -0.4491 -0.998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base H24 mock treatment 2804466.418 -353000.0 -0.38 2989293.893 -478000.0 -0.5 -0.6224 -0.9917 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I01 mock treatment 3764702.222 607000.0 0.66 4000544.643 533000.0 0.55 0.8571 0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I02 mock treatment 4085534.694 928000.0 1.01 4318162.5 851000.0 0.88 1.3365 0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I03 mock treatment 3403352.727 246000.0 0.27 3701500.0 234000.0 0.24 0.3602 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I04 mock treatment 3457351.536 300000.0 0.32 3618246.809 151000.0 0.16 0.3404 0.9441 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I05 mock treatment 3056876.667 -101000.0 -0.11 3981209.964 514000.0 0.53 0.3002 0.5507 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I06 mock treatment 3352080.42 194000.0 0.21 3567145.161 99700.0 0.1 0.2222 0.9466 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I07 mock treatment 3138870.968 -19000.0 -0.02 3199445.993 -268000.0 -0.28 -0.2115 -0.7572 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I08 mock treatment 3047051.282 -111000.0 -0.12 3296206.107 -171000.0 -0.18 -0.2108 -0.9816 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I09 mock treatment 3212551.601 54700.0 0.06 3185344.828 -282000.0 -0.29 -0.1654 -0.5528 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I10 mock treatment 3058481.605 -99300.0 -0.11 3335163.701 -132000.0 -0.14 -0.1734 -0.9927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I11 mock treatment 3061617.021 -96200.0 -0.1 3186802.326 -281000.0 -0.29 -0.2801 -0.9039 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I12 mock treatment 2861412.141 -296000.0 -0.32 3460435.714 -7050.0 -0.01 -0.2324 -0.723 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I13 mock treatment 3012132.653 -146000.0 -0.16 3527533.582 60000.0 0.06 -0.0676 -0.3978 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I14 mock treatment 3012087.108 -146000.0 -0.16 3182472.0 -285000.0 -0.3 -0.3212 -0.9567 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I15 mock treatment 2889003.268 -269000.0 -0.29 3070282.051 -397000.0 -0.41 -0.498 -0.9855 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I16 mock treatment 3010379.699 -147000.0 -0.16 3466876.984 -608.0 0.0 -0.1135 -0.7099 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I17 mock treatment 2862470.383 -295000.0 -0.32 3158886.926 -309000.0 -0.32 -0.4533 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I18 mock treatment 3020058.442 -138000.0 -0.15 3362452.632 -105000.0 -0.11 -0.1828 -0.9881 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I19 mock treatment 3200661.972 42800.0 0.05 3176106.897 -291000.0 -0.3 -0.1813 -0.5918 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I20 mock treatment 3223544.304 65700.0 0.07 3302087.121 -165000.0 -0.17 -0.0712 -0.3825 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I21 mock treatment 3676539.249 519000.0 0.56 3266565.217 -201000.0 -0.21 0.25 0.4167 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I22 mock treatment 3359778.878 202000.0 0.22 3623679.012 156000.0 0.16 0.2696 0.9892 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I23 mock treatment 3599200.669 441000.0 0.48 3937737.5 470000.0 0.49 0.684 0.9999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base I24 mock treatment 3928870.229 771000.0 0.84 3416297.619 -51200.0 -0.05 0.5535 0.6608 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J01 mock treatment 4065159.483 907000.0 0.98 3524242.857 56800.0 0.06 0.7374 0.7482 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J02 mock treatment 3761647.059 604000.0 0.65 4242126.984 775000.0 0.81 1.0323 0.9947 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J03 mock treatment 4344761.905 1190000.0 1.29 4728871.681 1260000.0 1.31 1.8371 1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J04 mock treatment 4021939.516 864000.0 0.94 3848870.536 381000.0 0.4 0.9428 0.9267 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J05 mock treatment 3493292.776 335000.0 0.36 3914012.931 447000.0 0.46 0.5854 0.9927 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J06 mock treatment 3418696.751 261000.0 0.28 3750462.5 283000.0 0.29 0.408 0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J07 mock treatment 3314083.004 156000.0 0.17 3338815.385 -129000.0 -0.13 0.0252 0.1169 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J08 mock treatment 3378119.048 220000.0 0.24 3374550.781 -92900.0 -0.1 0.1006 0.3904 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J09 mock treatment 3236054.983 78200.0 0.08 3377142.857 -90300.0 -0.09 -0.0064 -0.0508 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J10 mock treatment 3396433.692 239000.0 0.26 3623442.509 156000.0 0.16 0.2976 0.9746 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J11 mock treatment 3195756.849 37900.0 0.04 3307356.877 -160000.0 -0.17 -0.0886 -0.5169 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J12 mock treatment 2887827.815 -270000.0 -0.29 3402813.433 -64700.0 -0.07 -0.2545 -0.8474 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J13 mock treatment 3097021.127 -60800.0 -0.07 3323927.757 -144000.0 -0.15 -0.1521 -0.9326 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J14 mock treatment 2752637.405 -405000.0 -0.44 3425105.263 -42400.0 -0.04 -0.3418 -0.7741 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J15 mock treatment 2978235.915 -180000.0 -0.19 3373364.261 -94100.0 -0.1 -0.2069 -0.9493 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J16 mock treatment 3116727.575 -41100.0 -0.04 3233198.606 -234000.0 -0.24 -0.2037 -0.8228 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J17 mock treatment 3017717.687 -140000.0 -0.15 3427180.812 -40300.0 -0.04 -0.137 -0.8696 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J18 mock treatment 2673915.789 -484000.0 -0.52 3213299.32 -254000.0 -0.26 -0.5578 -0.9496 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J19 mock treatment 2988033.67 -170000.0 -0.18 3271686.347 -196000.0 -0.2 -0.2741 -0.9987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J20 mock treatment 2706989.796 -451000.0 -0.49 3174485.246 -293000.0 -0.3 -0.561 -0.9741 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J21 mock treatment 2814622.581 -343000.0 -0.37 3181629.371 -286000.0 -0.3 -0.4732 -0.9938 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J22 mock treatment 2958344.156 -199000.0 -0.22 3346631.356 -121000.0 -0.13 -0.2418 -0.9666 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J23 mock treatment 2913588.997 -244000.0 -0.26 3278286.29 -189000.0 -0.2 -0.3263 -0.9893 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base J24 mock treatment 2912505.929 -245000.0 -0.27 3049528.958 -418000.0 -0.43 -0.4953 -0.9723 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K01 mock treatment 3472317.992 314000.0 0.34 3446135.593 -21300.0 -0.02 0.2254 0.6597 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K02 mock treatment 3729568.0 572000.0 0.62 3835018.382 368000.0 0.38 0.7085 0.973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K03 mock treatment 3516691.489 359000.0 0.39 3884154.717 417000.0 0.43 0.5814 0.9986 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K04 mock treatment 3363455.197 206000.0 0.22 3608194.656 141000.0 0.15 0.2611 0.9791 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K05 mock treatment 3279885.496 122000.0 0.13 3557996.0 90500.0 0.09 0.1601 0.986 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K06 mock treatment 3205520.295 47700.0 0.05 3264682.008 -203000.0 -0.21 -0.1125 -0.5183 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K07 mock treatment 3205730.038 47900.0 0.05 3228248.148 -239000.0 -0.25 -0.1391 -0.5476 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K08 mock treatment 3048743.333 -109000.0 -0.12 3204309.16 -263000.0 -0.27 -0.2771 -0.9297 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K09 mock treatment 2847282.895 -311000.0 -0.34 3034181.159 -433000.0 -0.45 -0.5566 -0.9897 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K10 mock treatment 3057400.0 -100000.0 -0.11 3125103.571 -342000.0 -0.36 -0.3286 -0.8831 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K11 mock treatment 2965460.526 -192000.0 -0.21 3305323.024 -162000.0 -0.17 -0.2667 -0.9944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K12 mock treatment 2884910.596 -273000.0 -0.3 3264139.344 -203000.0 -0.21 -0.3587 -0.9864 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K13 mock treatment 2812231.317 -346000.0 -0.37 3249496.324 -218000.0 -0.23 -0.4252 -0.971 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K14 mock treatment 3067360.902 -90500.0 -0.1 3206416.949 -261000.0 -0.27 -0.2612 -0.9054 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K15 mock treatment 3097200.0 -60600.0 -0.07 3235273.292 -232000.0 -0.24 -0.2172 -0.8681 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K16 mock treatment 2942667.752 -215000.0 -0.23 3339926.316 -128000.0 -0.13 -0.2587 -0.9641 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K17 mock treatment 3013883.333 -144000.0 -0.16 3353925.62 -114000.0 -0.12 -0.1938 -0.9905 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K18 mock treatment 2789412.903 -368000.0 -0.4 3305809.129 -162000.0 -0.17 -0.4013 -0.926 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K19 mock treatment 2944989.691 -213000.0 -0.23 3384913.978 -82600.0 -0.09 -0.2239 -0.9092 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K20 mock treatment 3067905.455 -89900.0 -0.1 2012462.921 -1460000.0 -1.51 -1.1384 -0.7511 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K21 mock treatment 2965233.333 -193000.0 -0.21 3238445.652 -229000.0 -0.24 -0.316 -0.9979 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K22 mock treatment 3299955.128 142000.0 0.15 3232906.475 -235000.0 -0.24 -0.0634 -0.22 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K23 mock treatment 3215705.455 57900.0 0.06 3451458.716 -16000.0 -0.02 0.0326 0.502 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base K24 mock treatment 3622372.951 465000.0 0.5 3168303.571 -299000.0 -0.31 0.1363 0.2302 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L01 mock treatment 3831425.781 674000.0 0.73 3129299.578 -338000.0 -0.35 0.2679 0.3305 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L02 mock treatment 3880004.098 722000.0 0.78 3586928.251 119000.0 0.12 0.6415 0.8091 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L03 mock treatment 3626097.561 468000.0 0.51 3849083.333 382000.0 0.4 0.6395 0.9925 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L04 mock treatment 3630613.971 473000.0 0.51 3919433.071 452000.0 0.47 0.6947 0.999 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L05 mock treatment 3447000.0 289000.0 0.31 3567083.333 99600.0 0.1 0.2949 0.8932 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L06 mock treatment 3400210.728 242000.0 0.26 3349630.252 -118000.0 -0.12 0.0992 0.3422 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L07 mock treatment 3236426.573 78600.0 0.09 3395820.896 -71700.0 -0.07 0.0076 0.067 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L08 mock treatment 3164966.216 7140.0 0.01 3091023.529 -376000.0 -0.39 -0.2712 -0.693 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L09 mock treatment 3129949.664 -27900.0 -0.03 3343535.055 -124000.0 -0.13 -0.1125 -0.8499 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L10 mock treatment 3147449.275 -10400.0 -0.01 3168503.704 -299000.0 -0.31 -0.2277 -0.7322 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L11 mock treatment 3232878.136 75000.0 0.08 3165656.0 -302000.0 -0.31 -0.1643 -0.5069 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L12 mock treatment 3089775.578 -68100.0 -0.07 3195497.908 -272000.0 -0.28 -0.2521 -0.8628 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L13 mock treatment 2969972.656 -188000.0 -0.2 3036617.978 -431000.0 -0.45 -0.4607 -0.9364 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L14 mock treatment 3263022.814 105000.0 0.11 3272027.237 -195000.0 -0.2 -0.063 -0.2704 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L15 mock treatment 2937560.976 -220000.0 -0.24 3366750.958 -101000.0 -0.1 -0.2429 -0.9315 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L16 mock treatment 2907290.85 -251000.0 -0.27 3291026.403 -176000.0 -0.18 -0.3218 -0.9817 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L17 mock treatment 2867006.734 -291000.0 -0.32 3106426.23 -361000.0 -0.38 -0.4883 -0.9963 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L18 mock treatment 2809031.359 -349000.0 -0.38 3100757.246 -367000.0 -0.38 -0.537 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L19 mock treatment 2986455.516 -171000.0 -0.19 3113154.386 -354000.0 -0.37 -0.3918 -0.9498 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L20 mock treatment 2877841.727 -280000.0 -0.3 3143996.241 -323000.0 -0.34 -0.4524 -0.9987 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L21 mock treatment 2777251.773 -381000.0 -0.41 2839506.897 -628000.0 -0.65 -0.7533 -0.9755 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L22 mock treatment 2639659.639 -518000.0 -0.56 2887654.362 -580000.0 -0.6 -0.8234 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L23 mock treatment 2758806.962 -399000.0 -0.43 2802898.113 -665000.0 -0.69 -0.7944 -0.9746 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base L24 mock treatment 2691320.611 -467000.0 -0.51 2715755.274 -752000.0 -0.78 -0.9102 -0.9778 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M01 mock treatment 2770445.415 -387000.0 -0.42 2611276.786 -856000.0 -0.89 -0.9263 -0.9413 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M02 mock treatment 2820720.0 -337000.0 -0.37 2986433.333 -481000.0 -0.5 -0.612 -0.9881 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M03 mock treatment 2788404.58 -369000.0 -0.4 3105627.049 -362000.0 -0.38 -0.5492 -0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M04 mock treatment 2658409.091 -499000.0 -0.54 2771738.007 -696000.0 -0.72 -0.8943 -0.9898 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M05 mock treatment 2800996.296 -357000.0 -0.39 3068019.084 -399000.0 -0.42 -0.5672 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M06 mock treatment 2598157.534 -560000.0 -0.61 2714114.943 -753000.0 -0.78 -0.9828 -0.9921 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M07 mock treatment 2368329.932 -789000.0 -0.86 2675164.751 -792000.0 -0.82 -1.1876 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M08 mock treatment 2263127.66 -895000.0 -0.97 2567391.473 -900000.0 -0.94 -1.3475 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M09 mock treatment 2379718.121 -778000.0 -0.84 2598721.831 -869000.0 -0.9 -1.2351 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M10 mock treatment 2458212.928 -700000.0 -0.76 2649067.138 -818000.0 -0.85 -1.1379 -0.9984 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M11 mock treatment 2427609.756 -730000.0 -0.79 2757947.791 -710000.0 -0.74 -1.0813 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M12 mock treatment 2469817.241 -688000.0 -0.75 2639202.429 -828000.0 -0.86 -1.1363 -0.9975 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M13 mock treatment 2689829.431 -468000.0 -0.51 2864189.189 -603000.0 -0.63 -0.8022 -0.9945 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M14 mock treatment 2631882.759 -526000.0 -0.57 2770379.699 -697000.0 -0.72 -0.9156 -0.993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M15 mock treatment 2323803.636 -834000.0 -0.9 2859243.636 -608000.0 -0.63 -1.0865 -0.9847 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M16 mock treatment 2340833.333 -817000.0 -0.89 2555843.137 -912000.0 -0.95 -1.2964 -0.9994 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M17 mock treatment 2372402.778 -785000.0 -0.85 2592372.263 -875000.0 -0.91 -1.2454 -0.9995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M18 mock treatment 2302137.255 -856000.0 -0.93 2659335.766 -808000.0 -0.84 -1.25 -0.9988 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M19 mock treatment 2580734.694 -577000.0 -0.63 2463282.686 -1000000.0 -1.04 -1.1805 -0.97 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M20 mock treatment 2668678.431 -489000.0 -0.53 2708608.856 -759000.0 -0.79 -0.9328 -0.9813 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M21 mock treatment 2622887.218 -535000.0 -0.58 2546117.845 -921000.0 -0.96 -1.0873 -0.9711 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M22 mock treatment 2321172.956 -837000.0 -0.91 2609430.147 -858000.0 -0.89 -1.2721 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M23 mock treatment 2590114.625 -568000.0 -0.62 2571045.833 -896000.0 -0.93 -1.0941 -0.9797 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base M24 mock treatment 2576478.088 -581000.0 -0.63 2578949.772 -889000.0 -0.92 -1.0988 -0.9827 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N01 mock treatment 3071152.344 -86700.0 -0.09 3678120.968 211000.0 0.22 0.0884 0.3709 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N02 mock treatment 3320140.152 162000.0 0.18 3508150.442 40700.0 0.04 0.1543 0.8527 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N03 mock treatment 2919000.0 -239000.0 -0.26 4396171.674 929000.0 0.97 0.4995 0.4997 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N04 mock treatment 2664429.091 -493000.0 -0.53 3815762.646 348000.0 0.36 -0.1223 -0.1894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N05 mock treatment 2602862.745 -555000.0 -0.6 3264493.776 -203000.0 -0.21 -0.5747 -0.9012 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N06 mock treatment 2815854.671 -342000.0 -0.37 3201774.194 -266000.0 -0.28 -0.4575 -0.9895 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N07 mock treatment 2745281.022 -413000.0 -0.45 3457063.559 -10400.0 -0.01 -0.324 -0.724 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N08 mock treatment 2586119.691 -572000.0 -0.62 3263957.031 -204000.0 -0.21 -0.5879 -0.8976 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N09 mock treatment 2643420.139 -514000.0 -0.56 3324358.268 -143000.0 -0.15 -0.4996 -0.8655 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N10 mock treatment 2366702.422 -791000.0 -0.86 3247516.807 -220000.0 -0.23 -0.7682 -0.8654 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N11 mock treatment 2348626.335 -809000.0 -0.88 3254515.695 -213000.0 -0.22 -0.7769 -0.8586 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N12 mock treatment 2383350.195 -774000.0 -0.84 3164393.305 -303000.0 -0.32 -0.8166 -0.9104 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N13 mock treatment 2396340.659 -761000.0 -0.83 3213226.721 -254000.0 -0.26 -0.7707 -0.889 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N14 mock treatment 2433584.967 -724000.0 -0.79 2962547.893 -505000.0 -0.52 -0.9264 -0.9808 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N15 mock treatment 2558863.636 -599000.0 -0.65 3082322.835 -385000.0 -0.4 -0.7423 -0.973 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N16 mock treatment 2400117.647 -758000.0 -0.82 2946015.326 -521000.0 -0.54 -0.9642 -0.9796 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N17 mock treatment 2356699.219 -801000.0 -0.87 2964137.339 -503000.0 -0.52 -0.9842 -0.9706 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N18 mock treatment 2299926.573 -858000.0 -0.93 3225303.15 -242000.0 -0.25 -0.8357 -0.8673 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N19 mock treatment 2216696.552 -941000.0 -1.02 3048859.438 -419000.0 -0.44 -1.0292 -0.9278 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N20 mock treatment 2183253.521 -975000.0 -1.06 2727781.609 -740000.0 -0.77 -1.2909 -0.9878 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N21 mock treatment 2072493.827 -1090000.0 -1.18 2613716.364 -854000.0 -0.89 -1.4596 -0.9903 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N22 mock treatment 2198768.421 -959000.0 -1.04 2508481.343 -959000.0 -1.0 -1.4401 -0.9998 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N23 mock treatment 2236972.222 -921000.0 -1.0 2331608.527 -1140000.0 -1.18 -1.5409 -0.9965 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base N24 mock treatment 2277157.706 -881000.0 -0.95 2097165.289 -1370000.0 -1.42 -1.6824 -0.9811 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O01 mock treatment 3119226.619 -38600.0 -0.04 3102822.835 -365000.0 -0.38 -0.2976 -0.7804 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O02 mock treatment 3213541.126 55700.0 0.06 3564873.984 97400.0 0.1 0.1143 0.9696 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O03 mock treatment 3706084.615 548000.0 0.59 3488214.815 20700.0 0.02 0.4356 0.7323 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O04 mock treatment 3234198.529 76400.0 0.08 3248097.473 -219000.0 -0.23 -0.1027 -0.4233 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O05 mock treatment 3415933.099 258000.0 0.28 3464276.596 -3210.0 0.0 0.1955 0.6986 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O06 mock treatment 3443522.581 286000.0 0.31 3378733.591 -88800.0 -0.09 0.1538 0.4759 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O07 mock treatment 3002933.852 -155000.0 -0.17 3440897.638 -26600.0 -0.03 -0.1383 -0.8125 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O08 mock treatment 3384643.098 227000.0 0.25 3445078.853 -22400.0 -0.02 0.1574 0.6373 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O09 mock treatment 3021404.58 -136000.0 -0.15 3368076.364 -99400.0 -0.1 -0.1777 -0.9846 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O10 mock treatment 3123748.062 -34100.0 -0.04 3410240.343 -57200.0 -0.06 -0.0682 -0.9737 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O11 mock treatment 3444255.245 286000.0 0.31 3576436.441 109000.0 0.11 0.2997 0.9066 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O12 mock treatment 3425984.252 268000.0 0.29 3599559.055 132000.0 0.14 0.3027 0.9413 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O13 mock treatment 3471564.286 314000.0 0.34 3715337.662 248000.0 0.26 0.4227 0.9906 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O14 mock treatment 3183213.235 25400.0 0.03 3661027.237 194000.0 0.2 0.1617 0.7964 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O15 mock treatment 3402483.108 245000.0 0.27 3590772.059 123000.0 0.13 0.2782 0.9443 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O16 mock treatment 3316277.58 158000.0 0.17 3402129.252 -65400.0 -0.07 0.0734 0.3976 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O17 mock treatment 3029651.568 -128000.0 -0.14 3635209.677 168000.0 0.17 0.025 0.1121 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O18 mock treatment 3061124.579 -96700.0 -0.1 3373879.377 -93600.0 -0.1 -0.1429 -0.9993 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O19 mock treatment 3212442.675 54600.0 0.06 3616390.244 149000.0 0.15 0.1513 0.9131 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O20 mock treatment 3101879.599 -56000.0 -0.06 3499754.647 32300.0 0.03 -0.0192 -0.2767 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O21 mock treatment 3053252.366 -105000.0 -0.11 3556059.289 88600.0 0.09 -0.0151 -0.1032 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O22 mock treatment 2935260.417 -223000.0 -0.24 3375034.483 -92500.0 -0.1 -0.2386 -0.9185 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O23 mock treatment 2811446.809 -346000.0 -0.38 3298391.791 -169000.0 -0.18 -0.3898 -0.9402 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base O24 mock treatment 3309522.034 152000.0 0.16 2782971.429 -685000.0 -0.71 -0.3868 -0.5297 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P01 mock treatment 3150530.516 -7300.0 -0.01 2898018.605 -569000.0 -0.59 -0.4241 -0.7165 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P02 mock treatment 3134508.333 -23300.0 -0.03 3146440.529 -321000.0 -0.33 -0.2538 -0.7585 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P03 mock treatment 2845369.099 -312000.0 -0.34 3317621.739 -150000.0 -0.16 -0.3497 -0.9378 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P04 mock treatment 2955147.541 -203000.0 -0.22 2903391.129 -564000.0 -0.59 -0.57 -0.9103 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P05 mock treatment 3332481.781 175000.0 0.19 2916961.702 -551000.0 -0.57 -0.2707 -0.4491 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P06 mock treatment 2968350.554 -189000.0 -0.21 3179839.662 -288000.0 -0.3 -0.3567 -0.9832 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P07 mock treatment 3151846.847 -5980.0 -0.01 2903655.87 -564000.0 -0.59 -0.419 -0.7149 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P08 mock treatment 3008234.266 -150000.0 -0.16 2909681.633 -558000.0 -0.58 -0.5247 -0.8715 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P09 mock treatment 2924629.344 -233000.0 -0.25 3036919.355 -431000.0 -0.45 -0.4952 -0.9635 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P10 mock treatment 3115917.241 -41900.0 -0.05 2953734.513 -514000.0 -0.53 -0.4097 -0.7645 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P11 mock treatment 3052134.921 -106000.0 -0.11 3036293.388 -431000.0 -0.45 -0.398 -0.8602 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P12 mock treatment 2984016.26 -174000.0 -0.19 2878382.239 -589000.0 -0.61 -0.5662 -0.8838 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P13 mock treatment 3266072.993 108000.0 0.12 3042451.883 -425000.0 -0.44 -0.2294 -0.5018 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P14 mock treatment 2914879.245 -243000.0 -0.26 3169278.008 -298000.0 -0.31 -0.4054 -0.9967 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P15 mock treatment 3043013.937 -115000.0 -0.12 3121527.344 -346000.0 -0.36 -0.3423 -0.8995 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P16 mock treatment 2823694.444 -334000.0 -0.36 2899837.209 -568000.0 -0.59 -0.6734 -0.9726 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P17 mock treatment 2836187.5 -322000.0 -0.35 3052185.606 -415000.0 -0.43 -0.5518 -0.9944 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P18 mock treatment 3013102.19 -145000.0 -0.16 3012660.0 -455000.0 -0.47 -0.4452 -0.8939 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P19 mock treatment 2801130.719 -357000.0 -0.39 2967411.538 -500000.0 -0.52 -0.641 -0.9894 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P20 mock treatment 2809813.793 -348000.0 -0.38 2572616.162 -895000.0 -0.93 -0.9245 -0.9211 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P21 mock treatment 2592814.286 -565000.0 -0.61 2873227.106 -594000.0 -0.62 -0.87 -1.0 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P22 mock treatment 2639832.215 -518000.0 -0.56 2787863.469 -680000.0 -0.71 -0.8966 -0.9935 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P23 mock treatment 2537996.454 -620000.0 -0.67 2596329.502 -871000.0 -0.91 -1.1155 -0.9892 1063.0014 Calc(E1/E2)(1063.0014) SigBInhibition 1063.0014.Base P24 mock treatment 2400517.241 -757000.0 -0.82 2258306.818 -1210000.0 -1.26 -1.4693 -0.9787