0 B14R2.781 CC(=O)N1CCc2ccccc2C1 CSC000152829 [0,0,0,0,0,0|1,0,3]=4 1 B14R2.781 CS(=O)c1ccc2ccccc2c1 CSC000064364 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.57 COc1ccc2nccnc2c1 CSC000041819 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.57 COc1cnc2ccccc2c1 CSC012187421 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.57 CSc1ccc2ccccc2c1 CSC000000181 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.57 CSc1ccc2ccccc2n1 CSC015436161 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.627 NC(=O)c1c[nH]c2ccccc2c1=O CSC011273674 [0,1,0,0,0,0|2,0,0]=3 7 B15R2.1601 COC(=O)c1ccc2ccccc2n1 CSC000150341 [0,1,0,0,0,0|1,0,0]=2 8 B15R2.1601 COC(=O)c1ccc2cnccc2n1 CSC000040510 [0,1,0,0,0,0|2,0,0]=3 9 B15R2.1601 COC(=O)c1ccc2ncccc2c1 CSC011217999 [0,1,0,0,0,0|1,0,0]=2 10 B15R2.1601 COC(=O)c1ccc2nccnc2c1 CSC000148277 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.1601 COC(=O)c1cnc2ccccc2n1 CSC000193719 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.1601 NNC(=O)c1ccc2ccccc2c1 CSC000189791 [0,1,0,0,0,0|1,0,0]=2 13 B15R2.1601 NNC(=O)c1ccc2ncccc2c1 CSC011204340 [0,1,0,0,0,0|2,0,0]=3 14 B15R2.1601 NNC(=O)c1ccc2nccnc2c1 CSC000189985 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.4441 CS(=O)(=O)c1ccc2ccccc2c1 CSC000048121 [0,1,0,0,0,0|1,0,0]=2 16 B15R2.7174 NC(=O)c1cnc2ccc(cc2c1)F CSC009829425 [0,1,0,0,0,0|2,0,0]=3 17 B15R2.7180 NC(=O)c1ccc2cc(ccc2c1)Br CSC012348387 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.13598 NC(=O)c1ccc2c(c1)nc[nH]c2=O CSC000047649 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.14951 NC(=O)c1cc(=O)c2ccccc2o1 CSC000003356 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.14951 NC(=O)c1cc(=O)c2ccccc2o1 CSC000003356 [0,1,0,0,0,0|2,0,0]=3 21 B15R2.61353 Cc1ccnc2c1cc(cc2)C(=O)N CSC000008634 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.74 CC(=O)c1ccc(cc1)OCC=C CSC000172053 [0,0,1,0,0,0|1,0,1]=3 23 B13R1.418 NC(=O)C(=Cc1ccccc1)C#N CSC000060969 [0,0,1,0,0,0|2,0,1]=4 24 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [0,0,0,0,1,0|1,0,2]=4 25 B13R2.72 NC(=O)c1csc2c1cccc2 CSC000242011 [0,0,0,0,1,0|2,0,0]=3 26 B13R2.430 NC(=O)c1ccc2[nH]ccc2c1 CSC011911108 [0,0,0,0,1,0|2,0,0]=3 27 B13R2.430 NC(=O)c1ccc2[nH]cnc2c1 CSC000162287 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.430 NC(=O)c1ccc2cc[nH]c2c1 CSC011409218 [0,0,0,0,1,0|2,0,0]=3 29 B13R2.435 NC(=O)c1cc2ccccc2[nH]1 CSC000206395 [0,0,0,0,1,0|2,0,0]=3 30 B13R2.435 NC(=O)c1cc2ccccc2o1 CSC000162263 [0,0,0,0,1,0|2,0,0]=3 31 B13R2.435 NC(=O)c1nc2ccccc2s1 CSC000016678 [0,0,0,0,1,0|3,0,0]=4 32 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 CSC000154015 [0,0,0,0,0,1|0,0,0]=1 33 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 CSC000185984 [0,0,0,0,0,1|1,0,0]=2 34 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 CSC011353849 [0,0,0,0,0,1|2,0,0]=3 35 B15R2.1668 CC(=O)Nc1cnc2ccccc2c1 CSC011195435 [0,0,0,0,0,1|1,0,0]=2 36 B15R2.1668 CC(=O)Nc1cnc2ccccc2c1 CSC011195435 [0,0,0,0,0,1|1,0,0]=2 37 B15R2.1668 CC(=O)Nc1cnc2ccccc2n1 CSC000143460 [0,0,0,0,0,1|2,0,0]=3 38 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 CSC000002291 [0,0,0,0,0,1|0,0,0]=1 39 B15R2.1668 CC(=O)Oc1ccc2nccnc2c1 CSC015473003 [0,0,0,0,0,1|2,0,0]=3 40 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 CSC048362076 [0,0,0,0,0,1|1,0,1]=3 41 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 CSC000162105 [0,0,0,0,0,1|1,0,0]=2 42 B15R2.1668 NC(=O)Nc1ccc2ccccc2c1 CSC000239035 [0,0,0,0,0,1|1,0,0]=2 43 B14R1.65 CNC(=O)c1ccc(cc1)OCC=C CSC000215772 [0,1,1,0,0,0|1,0,1]=4 44 B14R1.65 COC(=O)c1ccc(cc1)OCC=C CSC000172099 [0,1,1,0,0,0|1,0,1]=4 45 B14R2.92 COc1ccc2ccccc2c1Br CSC000173347 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.112 CCOc1ccc2ncccc2c1 CSC000055991 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.112 CCSc1ccc2ccccc2c1 CSC000000182 [1,1,0,0,0,0|0,0,1]=3 48 B14R2.112 CSCc1ccc2ccccc2c1 CSC000053063 [1,1,0,0,0,0|0,0,1]=3 49 B14R2.2332 COc1ccc2cc(ccc2c1)Br CSC000170439 [1,1,0,0,0,0|1,0,0]=3 50 B14R2.95 COC(=O)c1[nH]nc2c1cccc2 CSC000149305 [0,1,0,0,1,0|2,0,0]=4 51 B14R2.95 COC(=O)c1coc2c1cccc2 CSC011990792 [0,1,0,0,1,0|1,0,0]=3 52 B14R2.95 NNC(=O)c1csc2c1cccc2 CSC000239984 [0,1,0,0,1,0|2,0,0]=4 53 B14R2.25733 Cn1cc(c2c1cccc2)C(=O)N CSC000206419 [0,1,0,0,1,0|2,0,0]=4 54 B14R2.966 COC(=O)c1ccc2[nH]ncc2c1 CSC011347493 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.966 COC(=O)c1ccc2cc[nH]c2n1 CSC009881502 [0,1,0,0,1,0|2,0,0]=4 56 B14R2.966 COC(=O)c1ccc2cn[nH]c2c1 CSC011195960 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.966 COC(=O)c1ccc2nccn2c1 CSC000067816 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.966 COC(=O)c1cnc2[nH]ccc2c1 CSC000088913 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.450 Cc1c(oc2c1cccc2)C(=O)N CSC000192827 [0,1,0,0,1,0|2,0,0]=4 60 B14R2.450 Cn1c(cc2c1cccc2)C(=O)N CSC000044693 [0,1,0,0,1,0|2,0,0]=4 61 B14R2.972 CNC(=O)c1cc2ccccc2o1 CSC000159883 [0,1,0,0,1,0|1,0,0]=3 62 B14R2.972 CNC(=O)c1nc2ccccc2s1 CSC015388969 [0,1,0,0,1,0|2,0,0]=4 63 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 CSC000148470 [0,1,0,0,1,0|1,0,0]=3 64 B14R2.972 COC(=O)c1cc2ccccc2s1 CSC000198240 [0,1,0,0,1,0|1,0,0]=3 65 B14R2.972 COC(=O)c1cc2cccnc2[nH]1 CSC000044995 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.972 COC(=O)c1cn2ccccc2n1 CSC000148251 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.972 NNC(=O)c1cc2ccccc2[nH]1 CSC000016311 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.972 NNC(=O)c1cc2ccccc2s1 CSC000198294 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.4529 Cc1ccc2[nH]c(cc2c1)C(=O)N CSC000044047 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)N CSC000044316 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)Br CSC009814496 [0,1,0,0,1,0|2,0,0]=4 72 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)Cl CSC000044049 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)F CSC000012626 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)Br CSC000185017 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)Br CSC009814495 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)Cl CSC000045627 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)N CSC000057192 [0,1,0,0,1,0|2,0,0]=4 78 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 CSC000154016 [0,1,0,0,0,1|0,0,0]=2 79 B16R2.5347 CCC(=O)Oc1ccc2ccccc2c1 CSC000002294 [0,1,0,0,0,1|0,0,0]=2 80 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 CSC000235001 [0,1,0,0,0,1|0,0,0]=2 81 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 CSC000168428 [0,1,0,0,0,1|0,0,0]=2 82 B16R2.5347 NNC(=O)Cc1ccc2ccccc2c1 CSC000190070 [0,1,0,0,0,1|1,0,0]=3 83 B16R2.11975 CC(=O)Oc1ccc2ccc(=O)oc2c1 CSC000002116 [0,1,0,0,0,1|1,0,0]=3 84 B16R2.11988 CC(=O)Nc1ccc2oc(=O)ccc2c1 CSC000008921 [0,1,0,0,0,1|1,0,0]=3 85 B16R2.82802 CS(=O)(=O)Nc1ccc2ccccc2c1 CSC000165663 [0,1,0,0,0,1|1,0,0]=3 86 B16R2.83538 CC(=O)Nn1cnc2ccccc2c1=O CSC000002077 [0,1,0,0,0,1|2,0,0]=4 87 B16R2.1229 CNC(=O)c1c[nH]c2ccccc2c1=O CSC011408768 [0,2,0,0,0,0|1,0,0]=3 88 B16R2.1229 NNC(=O)c1c[nH]c2ccccc2c1=O CSC011273213 [0,2,0,0,0,0|2,0,0]=4 89 B16R2.1229 NNC(=O)c1ccc2ccccc2c1O CSC011196071 [0,2,0,0,0,0|1,0,0]=3 90 B16R2.23372 CC(=O)c1c(nc2ccccc2c1C)C CSC046120793 [0,2,0,0,0,0|1,0,0]=3 91 B16R2.33941 CNC(=O)c1cc2ccccc2oc1=O CSC000002962 [0,2,0,0,0,0|1,0,0]=3 92 B16R2.33941 COC(=O)c1cc2ccccc2[nH]c1=O CSC000062812 [0,2,0,0,0,0|1,0,0]=3 93 B16R2.33941 COC(=O)c1cc2ccccc2oc1=O CSC000149469 [0,2,0,0,0,0|1,0,0]=3 94 B16R2.33941 NNC(=O)c1cc2ccccc2cc1O CSC000193349 [0,2,0,0,0,0|1,0,0]=3 95 B16R2.767 CCOC(=O)c1ccc2ccccc2c1 CSC000171408 [0,2,0,0,0,0|0,0,0]=2 96 B16R2.767 CCOC(=O)c1ccc2ccccc2n1 CSC000169932 [0,2,0,0,0,0|1,0,0]=3 97 B16R2.767 CCOC(=O)c1ccc2ncccc2c1 CSC011581696 [0,2,0,0,0,0|1,0,0]=3 98 B16R2.767 CCOC(=O)c1ccc2nccnc2c1 CSC000172577 [0,2,0,0,0,0|2,0,0]=4 99 B16R2.1212 COC(=O)c1ccc2nccc(c2c1)C CSC046255238 [0,2,0,0,0,0|1,0,0]=3 100 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br CSC012354409 [0,2,0,0,0,0|0,0,0]=2 101 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)Br CSC011218122 [0,2,0,0,0,0|0,0,0]=2 102 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)O CSC000026998 [0,2,0,0,0,0|0,0,0]=2 103 B16R2.33799 COC(=O)c1ccc2nc(ccc2c1)C CSC000181813 [0,2,0,0,0,0|1,0,0]=3 104 B16R2.33887 CNC(=O)c1cc(=O)c2ccccc2o1 CSC000002958 [0,2,0,0,0,0|1,0,0]=3 105 B16R2.24934 Cc1cc(nc2c1cccc2)S(=O)(=O)C CSC010200654 [0,2,0,0,0,0|2,0,0]=4 106 B14R2.256 Cc1ccc(o1)c2ccccc2N CSC011217610 [0,0,1,1,0,0|1,0,1]=4 107 B14R2.31359 NC(=O)c1ccnc2c1cccc2 CSC000206441 [0,0,1,1,0,0|2,0,0]=4 108 B14R1.68 CC(=O)Nc1ccc(cc1)OCC=C CSC000006476 [0,0,1,0,0,1|1,0,1]=4 109 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 CSC011984293 [0,0,0,0,1,1|1,0,0]=3 110 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 CSC011204555 [0,0,0,0,1,1|2,0,0]=4 111 B16R2.477 CC(=O)OCc1ccc2ccccc2n1 CSC000018421 [0,0,0,0,0,2|1,0,0]=3 112 B16R2.477 NC(=O)COc1ccc2ccccc2c1 CSC000150859 [0,0,0,0,0,2|1,0,0]=3 113 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 CSC000148426 [0,0,0,0,0,2|1,0,0]=3