0 B14R1.6449 CC(SCCc1ccccc1)C(=O)N CSC010371598 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.6449 OC(=O)C(=O)NCCc1ccccc1 CSC011297294 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [1,0,0,0,0,0|2,0,1]=4 5 B15R1.1321 COC(=O)C(C)CSCc1ccccc1 CSC000208612 [0,1,0,0,0,0|1,0,0]=2 6 B15R1.3678 CC(C(=O)O)C(=O)NCc1ccccc1 CSC013033804 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.3678 CC(N(C)CCc1ccccc1)C(=O)O CSC011716981 [0,1,0,0,0,0|3,0,0]=4 8 B15R2.1244 OC(=O)C1CN(C1)Cc2ccccc2 CSC011934527 [0,0,0,1,0,0|2,0,0]=3 9 B13R1.351 CC(CSc1ccccc1)C(=O)N CSC000071512 [0,0,0,0,1,0|2,0,0]=3 10 B13R1.351 CC(SCc1ccccc1)C(=O)N CSC000149388 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.351 OC(=O)C(=O)NCc1ccccc1 CSC000238767 [0,0,0,0,1,0|2,0,1]=4 12 B15R1.3664 CC(NCC=Cc1ccccc1)C(=O)O CSC049863783 [0,0,0,0,0,1|2,0,1]=4 13 B15R1.9084 CN(CCCc1ccccc1)CC(=O)O CSC011296745 [0,0,0,0,0,1|3,0,0]=4 14 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.8 N#CCCSCc1ccccc1 CSC000172150 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [2,0,0,0,0,0|0,0,1]=3 19 B14R1.148 OC(=O)CCNCc1cccc(c1)Br CSC011260741 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.159 OC(=O)CCNCc1ccccc1Br CSC011260694 [1,1,0,0,0,0|1,0,0]=3 21 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 CSC000177492 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.423 CN(CCC(=O)O)Cc1ccccc1 CSC046228514 [1,1,0,0,0,0|1,0,0]=3 23 B14R1.677 NC(=O)CCSCc1ccc(cc1)I CSC018001412 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.677 OC(=O)CCNCc1ccc(cc1)Br CSC011244181 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.677 OC(=O)CCNCc1ccc(cc1)Br CSC011244181 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.716 CNC(=O)CCSCc1ccccc1 CSC000019825 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.716 COC(=O)CCCOc1ccccc1 CSC000148025 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.716 COC(=O)CCOCc1ccccc1 CSC011246440 [1,1,0,0,0,0|0,1,0]=3 29 B14R1.716 COC(=O)CCSCc1ccccc1 CSC000172166 [1,1,0,0,0,0|0,0,0]=2 30 B14R1.13 OCC(O)CSCc1ccc(cc1)F CSC012622934 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.837 OCC(O)CSCc1ccccc1Cl CSC012623069 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.1025 OCC(O)CSCc1cccc(c1)F CSC012622873 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.161 CC(NCc1ccccc1Br)C(=O)O CSC011300747 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.425 C[C@H](N(C)Cc1ccccc1)C(=O)O CSC000696907 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)O CSC011300776 [0,1,0,0,1,0|2,0,0]=4 36 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)O CSC011300776 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)O CSC011300714 [0,1,0,0,1,0|2,0,0]=4 38 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)O CSC011300714 [0,1,0,0,1,0|2,0,0]=4 39 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)O CSC011300791 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)O CSC011300791 [0,1,0,0,1,0|2,0,0]=4 41 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)O CSC011192067 [0,1,0,0,1,0|2,0,0]=4 42 B16R1.4129 CC(NCCC(C)c1ccccc1)C(=O)O CSC005558943 [0,1,0,0,0,1|2,0,0]=4 43 B16R1.4129 C[C@@H](NCCC(C)c1ccccc1)C(=O)O CSC007490261 [0,1,0,0,0,1|2,0,0]=4 44 B16R1.4129 C[C@H](NCCC(C)c1ccccc1)C(=O)O CSC007489997 [0,1,0,0,0,1|2,0,0]=4 45 B16R1.7323 CC(N(C)CCCc1ccccc1)C(=O)O CSC011716920 [0,1,0,0,0,1|2,0,0]=4 46 B16R1.12253 CC(C)(CCNCc1ccccc1)C(=O)O CSC015042439 [0,1,0,0,0,1|2,0,0]=4 47 B16R1.1066 CC(CN(C)Cc1ccc(cc1)Br)C(=O)O CSC011475034 [0,2,0,0,0,0|2,0,0]=4 48 B16R1.1066 CC(CN(C)Cc1ccc(cc1)Cl)C(=O)O CSC011474941 [0,2,0,0,0,0|2,0,0]=4 49 B16R1.1066 CC(CN(C)Cc1ccc(cc1)I)C(=O)O CSC012291076 [0,2,0,0,0,0|2,0,0]=4 50 B16R1.11235 CC(CN(C)Cc1cccc(c1)Br)C(=O)O CSC011475081 [0,2,0,0,0,0|2,0,0]=4 51 B16R1.11235 CC(CN(C)Cc1cccc(c1)Cl)C(=O)O CSC011474864 [0,2,0,0,0,0|2,0,0]=4 52 B16R1.11235 CC(CN(C)Cc1cccc(c1)I)C(=O)O CSC014704155 [0,2,0,0,0,0|2,0,0]=4 53 B16R1.7413 CC(CN(C)Cc1ccccc1Br)C(=O)O CSC011475124 [0,2,0,0,0,0|2,0,0]=4 54 B16R1.7413 CC(CN(C)Cc1ccccc1Cl)C(=O)O CSC011474902 [0,2,0,0,0,0|2,0,0]=4 55 B16R1.8820 CC(NCc1ccccc1F)C(C)C(=O)O CSC006125651 [0,2,0,0,0,0|2,0,0]=4 56 B14R2.2 OC(=O)CN1CCc2c1cccc2 CSC011192162 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.2 OC(=O)CN1CCc2c1cccc2 CSC011192162 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.781 NC(=O)C1CCc2ccccc2O1 CSC009954463 [0,0,0,1,1,0|2,0,0]=4 59 B16R2.244415 CC(N1CCCc2c1cccc2)C(=O)O CSC011243425 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.33334 OC(=O)C1CN(C1)Cc2ccc(cc2)Br CSC012042978 [0,1,0,1,0,0|2,0,0]=4 61 B16R2.33334 OC(=O)C1CN(C1)Cc2ccc(cc2)I CSC012291083 [0,1,0,1,0,0|2,0,0]=4 62 B16R2.11886 OC(=O)C1CN(C1)Cc2cccc(c2)Br CSC012042749 [0,1,0,1,0,0|2,0,0]=4 63 B16R2.11886 OC(=O)C1CN(C1)Cc2cccc(c2)I CSC014704157 [0,1,0,1,0,0|2,0,0]=4 64 B16R2.24852 OC(=O)C1CN(C1)Cc2ccccc2Br CSC012042766 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [0,0,0,0,2,0|1,0,0]=3 67 B14R1.422 CC(=O)NCCCCc1ccccc1 CSC000022860 [1,0,0,0,0,1|2,0,0]=4 68 B14R1.422 CC(=O)NCCOCc1ccccc1 CSC010272837 [1,0,0,0,0,1|1,1,0]=4 69 B16R1.4131 CC(NCCSCc1ccccc1)C(=O)O CSC057769805 [0,0,0,0,0,2|1,0,0]=3 70 B16R1.4131 C[C@@H](NCCSCc1ccccc1)C(=O)O CSC057081288 [0,0,0,0,0,2|1,0,0]=3 71 B16R1.4131 C[C@H](NCCSCc1ccccc1)C(=O)O CSC056817703 [0,0,0,0,0,2|1,0,0]=3 72 B16R1.6929 CN(CCSCc1ccccc1)CC(=O)O CSC057236599 [0,0,0,0,0,2|2,0,0]=4