0 B12R2.252 C=C(C)c1cc2sccc2s1 271570a_100000694244_200010191111 [0,0,0,0,0,0|3,1,0]=4 1 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [1,0,0,0,0,0|2,1,0]=4 2 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,0,1,0,0,0|2,0,0]=3 3 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,0,1,0,0,0|2,0,0]=3 4 B11R1.48 C=Cc1sc(cc1C)C(=O)C 271570a_100011290941_100000729792 [0,0,1,0,0,0|3,0,0]=4 5 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,1,0,0,0|2,1,0]=4 6 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,1,0,0,0|2,1,0]=4 7 B11R1.124 C=C=Cc1c[nH]c(c1)C(=O)N 271570a_100015277604_100000229580 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.124 C=C=Cc1ccc([nH]1)C(=O)C 271570a_100015277604_200010494458 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.124 CC=Cc1c[nH]c(c1)C(=O)N 271570a_100016259895_100000229580 [0,0,1,0,0,0|2,0,1]=4 10 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,0,1,0,0,0|2,0,0]=3 11 B11R1.124 CC=Cc1ccc(o1)C(=O)C 271570a_100016259895_100000229899 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.124 CC=Cc1ccc(s1)C(=O)C 271570a_100016259895_100000183331 [0,0,1,0,0,0|3,0,0]=4 13 B11R1.124 CC=Cc1ccc(s1)C(=O)N 271570a_100016259895_100000162267 [0,0,1,0,0,0|3,0,0]=4 14 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 C=C(C)c1ccc2occc2n1 271570a_100000694244_100009851292 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,0,0,0,0,1|2,1,0]=4 21 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,0,0,0,0,1|2,1,0]=4 25 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,0,0,0,0,1|2,1,0]=4 29 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,0,0,0,0,1|2,1,0]=4 33 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,1,0,0,0|1,1,0]=4 38 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,1,0,0,0|1,1,0]=4 41 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [1,0,1,0,0,0|1,0,0]=3 43 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.31 C=Cc1coc(c1)C(=O)N 271570a_100011290941_200009817131 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.31 C=Cc1csc(c1)C(=O)N 271570a_100011290941_100009812991 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.35 C=Cc1sc(cc1C)C=O 271570a_100011290941_100000761930 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [1,0,1,0,0,0|2,0,0]=4 53 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [2,0,0,0,0,0|1,1,0]=4 54 B12R1.108 CC(=Cc1ccco1)C(=O)CF 1458a_100011995979_100015361967 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.108 CNC(=O)C(=Cc1ccco1)C 11a_106832991635_100011995979 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.108 CNC(=O)C(=Cc1ccco1)C 1626a_100102657272_100011995979 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.108 CNC(=O)C(=Cc1ccco1)C 527a_100102657272_100011995979 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.63 C=Cc1sc(cc1C)C(=O)OC 271570a_100011290941_100011219469 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.63 C=Cc1sc(cc1N)C(=O)OC 271570a_100011290941_200010749435 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.63 COC(=O)c1cc(c([nH]1)C#N)O 271570a_203496583355_100011068512 [0,1,1,0,0,0|1,0,1]=4 62 B12R1.63 COC(=O)c1cc(c(s1)C=O)O 271570a_203496583355_100010234932 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.179 C=C=Cc1ccc([nH]1)C(=O)OC 271570a_100015277604_100000687774 [0,1,1,0,0,0|1,0,1]=4 64 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC 271570a_100016259895_100000687774 [0,1,1,0,0,0|1,0,0]=3 65 B12R1.179 CC=Cc1ccc(o1)C(=O)OC 271570a_100016259895_100000148852 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.179 CC=Cc1ccc(s1)C(=O)OC 271570a_100016259895_100000148107 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.179 CC=Cc1ncc([nH]1)C(=O)OC 271570a_100016259895_106744473586 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000210623_100000229580 [0,1,1,0,0,0|1,1,0]=4 69 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000229580_100000210623 [0,1,1,0,0,0|1,1,0]=4 70 B12R1.389 CC(=O)c1ccc([nH]1)C=C(C)C 271570a_100102525489_200010494458 [0,1,1,0,0,0|2,0,0]=4 71 B14R2.601 CC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_200000210301 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.601 Cc1cc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000068196_200025704644 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.624 CC(=O)c1cc2occc2cc1F 1458a_100009927656_200000210301 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.624 [13CH3]C(=O)c1cc2occc2cc1F 1458a_100009927656_200025704644 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.966 CCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210202 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.966 CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210202 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.966 CNC(=O)c1ccc2ccoc2c1 11a_106832991635_100000077109 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.966 CNC(=O)c1ccc2ccoc2c1 1626a_100102657272_100000077109 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.966 CNC(=O)c1ccc2ccoc2c1 240690a_100102657272_100000077109 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.966 CNC(=O)c1ccc2ccoc2c1 527a_100102657272_100000077109 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.966 CNC(=O)c1ccc2occc2c1 11a_106832991635_100000039204 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.966 CNC(=O)c1ccc2occc2c1 1626a_100102657272_100000039204 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.966 CNC(=O)c1ccc2occc2c1 240690a_100102657272_100000039204 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.966 CNC(=O)c1ccc2occc2c1 527a_100102657272_100000039204 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.966 O=C(CF)c1ccc2ccoc2c1 1458a_100000077109_100015361967 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.966 O=C(CF)c1ccc2occc2c1 1458a_100000039204_100015361967 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.10637 COC(=O)c1cc2scc(c2[nH]1)O 271570a_203496583355_200010253063 [0,2,0,0,0,0|0,1,0]=3 90 B14R2.10637 COC(=O)c1cc2scc(c2s1)O 271570a_203496583355_100103148757 [0,2,0,0,0,0|1,1,0]=4 91 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,0,1,1,0,0|2,0,0]=4 92 B12R1.264 NC(=O)C(=O)NCc1ccoc1 240690a_100015206860_100011215815 [0,0,1,0,0,1|2,0,0]=4 93 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)O 271570a_100011290941_100010084318 [0,0,1,0,0,1|2,0,0]=4 94 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,0,1,0,0,1|2,0,0]=4 95 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,0,1,0,0,1|2,0,0]=4 96 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,0,0,1|2,0,0]=4 97 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,0,0,0,0,1|2,0,0]=4 98 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [1,0,0,0,0,1|2,0,0]=4 99 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [1,0,0,0,0,1|2,0,0]=4 100 B12R2.44 C=Cc1ccc2occc2n1 271570a_100011290941_100009851292 [1,0,0,0,0,1|1,0,1]=4 101 B14R2.1008 CC(=O)Cc1ccc2occc2c1 1458a_100000096804_200000210301 [0,0,0,0,0,2|2,0,0]=4 102 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 11a_100000102395_100015343762 [0,0,0,0,0,2|2,0,0]=4 103 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 1626a_100000102395_100015343762 [0,0,0,0,0,2|2,0,0]=4 104 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 22a_100000102395_100000070787 [0,0,0,0,0,2|2,0,0]=4 105 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 527a_100000102395_100103153847 [0,0,0,0,0,2|2,0,0]=4 106 B14R2.1008 CC(=O)Nc1ccc2occc2c1 11a_106430523501_100015343762 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.1008 CC(=O)Nc1ccc2occc2c1 1626a_106430523501_100015343762 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.1008 CC(=O)Nc1ccc2occc2c1 22a_106430523501_100000070787 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.1008 CC(=O)Nc1ccc2occc2c1 527a_106430523501_100103153847 [0,0,0,0,0,2|2,0,0]=4 110 B14R2.1008 [13CH3]C(=O)Cc1ccc2occc2c1 1458a_100000096804_200025704644 [0,0,0,0,0,2|2,0,0]=4