0 B13R1.9 CCCCCCc1ccc(cc1)Br A15918 [0,0,1,0,0,0|1,1,0]=3 1 B13R1.9 CCCCCCc1ccc(cc1)I H26878 [0,0,1,0,0,0|1,1,0]=3 2 B13R1.9 CCCCCCc1ccc(cc1)N H26297 [0,0,1,0,0,0|2,0,0]=3 3 B13R1.9 CCCCCOc1ccc(cc1)Br A12614 [0,0,1,0,0,0|2,1,0]=4 4 B13R1.9 CCCCNCc1ccc(cc1)F H56220 [0,0,1,0,0,0|2,1,0]=4 5 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 H50604 [0,0,0,0,1,0|1,1,1]=4 6 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 A14975 [0,0,0,0,1,0|2,0,1]=4 7 B13R2.162 c1cc2c(cc1Cl)C(=O)CCS2 A10304 [0,0,0,0,1,0|2,0,1]=4 8 B12R1.1 CCCCCc1ccc(cc1)Br A14457 [1,0,1,0,0,0|0,1,0]=3 9 B12R1.1 CCCCCc1ccc(cc1)I H27356 [1,0,1,0,0,0|0,1,0]=3 10 B12R1.1 CCCCCc1ccc(cc1)N H26569 [1,0,1,0,0,0|1,0,0]=3 11 B12R1.1 CCCCCc1ccc(cc1)O A11514 [1,0,1,0,0,0|1,0,0]=3 12 B12R1.1 CCCCCc1cnc(nc1)Cl H27808 [1,0,1,0,0,0|2,0,0]=4 13 B12R1.1 CCCCOc1ccc(cc1)N A17528 [1,0,1,0,0,0|2,0,0]=4 14 B12R1.1 CCCCOc1ccc(cc1)O A12076 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.1 CCCNCc1ccc(cc1)F H56563 [1,0,1,0,0,0|0,1,0]=3 16 B12R1.1 c1cc(ccc1CSCCO)Cl L10158 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.8 CCCCCCc1ccccc1 A12821 [1,0,1,0,0,0|1,0,0]=3 18 B12R1.8 CCCCCCc1ccccn1 A12772 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.8 CCCCCCc1cccnc1 B21775 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.8 CCCCNCc1ccccc1 A17851 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.8 CCCCOCc1ccccc1 L11747 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.8 CCCNCCc1ccccn1 H50255 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.8 c1ccc(cc1)CCCCCCl L08707 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.8 c1ccc(cc1)CCCCCO L12070 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.30 CCCCC(c1ccccc1)O L04646 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.112 CCc1cc(ccc1NCC)Br H50589 [1,0,1,0,0,0|1,1,0]=4 28 B12R1.268 COc1ccc(cc1CCN)Br L19875 [1,0,1,0,0,0|1,1,0]=4 29 B14R1.14 CCCCCCCc1ccc(cc1)Br A12235 [0,1,1,0,0,0|1,1,0]=4 30 B14R1.14 CCCCCCCc1ccc(cc1)I H27017 [0,1,1,0,0,0|1,1,0]=4 31 B14R1.14 CCCCCCCc1ccc(cc1)N H26793 [0,1,1,0,0,0|2,0,0]=4 32 B14R1.14 CCCCCCCc1ccc(cc1)O A15407 [0,1,1,0,0,0|2,0,0]=4 33 B14R1.14 CCCCCCOc1ccc(cc1)Br B20085 [0,1,1,0,0,0|1,1,0]=4 34 B14R1.14 CCCCCCOc1ccc(cc1)N H55868 [0,1,1,0,0,0|2,0,0]=4 35 B14R1.14 CCCCCCOc1ccc(cc1)O A11711 [0,1,1,0,0,0|2,0,0]=4 36 B14R1.14 CCCCCNCc1ccc(cc1)F H57534 [0,1,1,0,0,0|1,1,0]=4 37 B14R1.774 CCCCCCc1ccc(cc1O)O A12552 [0,1,1,0,0,0|2,0,0]=4 38 B14R1.149 CC(C)NCC(c1cccc(c1)Cl)O H50739 [0,1,1,0,0,0|1,0,0]=3 39 B14R2.68 c1cc(ccc1C2CCCCC2)Br L04636 [0,0,1,1,0,0|1,1,0]=4 40 B14R2.68 c1cc(ccc1C2CCCCC2)N L03184 [0,0,1,1,0,0|2,0,0]=4 41 B14R2.68 c1cc(ccc1C2CNCCN2)O H26842 [0,0,1,1,0,0|2,0,0]=4 42 B14R2.21 c1cc(cc(c1)O)C2CNCCN2 H26559 [0,0,1,1,0,0|2,0,0]=4 43 B12R2.24 Cc1ccc2c(c1)CCCN2 A15245 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.24 c1cc2c(cc1Br)CCNC2 H63527 [1,0,0,0,1,0|0,1,0]=3 45 B12R2.24 c1cc2c(cc1Br)CNCC2 B25712 [1,0,0,0,1,0|0,1,0]=3 46 B12R2.24 c1cc2c(cc1Br)CNCC2 H63278 [1,0,0,0,1,0|0,1,0]=3 47 B12R2.24 c1cc2c(cc1Cl)CCNC2 H63786 [1,0,0,0,1,0|0,0,0]=2 48 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63456 [1,0,0,0,1,0|0,0,0]=2 49 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63693 [1,0,0,0,1,0|0,0,0]=2 50 B12R2.24 c1cc2c(cc1F)CCCN2 H35364 [1,0,0,0,1,0|1,1,0]=4 51 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [1,0,0,0,1,0|1,0,0]=3 52 B12R2.24 c1cc2c(cc1O)CCCC2 L10164 [1,0,0,0,1,0|1,0,0]=3 53 B12R2.24 c1cc2c(cc1O)CCNC2 H64512 [1,0,0,0,1,0|1,0,0]=3 54 B12R2.1081 CC1c2ccccc2CCN1 H64191 [1,0,0,0,1,0|0,0,0]=2 55 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [1,0,0,0,1,0|2,0,0]=4 56 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [1,0,0,0,1,0|1,0,1]=4 57 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [1,0,0,0,1,0|1,0,0]=3 58 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [1,0,0,0,1,0|1,0,0]=3 59 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [1,0,0,0,1,0|1,0,0]=3