0 B12R2.252 C=C(C)c1cc2sccc2s1 271570a_100000694244_200010191111 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,1,0,0,0|2,0,1]=4 3 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,1,0,0,0|2,0,1]=4 4 B11R1.90 Cc1sccc1C=CC(C)O 271570a_200011019289_100000684487 [0,0,1,0,0,0|2,0,1]=4 5 B11R1.124 C=C=Cc1c[nH]c(c1)C(=O)N 271570a_100015277604_100000229580 [0,0,1,0,0,0|2,0,1]=4 6 B11R1.124 C=C=Cc1ccc([nH]1)C(=O)C 271570a_100015277604_200010494458 [0,0,1,0,0,0|2,0,1]=4 7 B11R1.124 CC(=O)c1ccc([nH]1)SCF 62a_200010494458_100015361967 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.124 CC=Cc1c[nH]c(c1)C(=O)N 271570a_100016259895_100000229580 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,0,1,0,0,0|2,0,1]=4 10 B11R1.124 CC=Cc1coc(c1)C(=O)N 271570a_100016259895_200009817131 [0,0,1,0,0,0|3,0,0]=4 11 B11R1.124 CC=Cc1csc(c1)C(=O)C 271570a_100016259895_100000718618 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.124 CC=Cc1csc(c1)C(=O)N 271570a_100016259895_100009812991 [0,0,1,0,0,0|3,0,0]=4 13 B11R1.124 CCSc1ccc([nH]1)C(=O)C 62a_200010494458_100000210202 [0,0,1,0,0,0|1,0,2]=4 14 B13R2.430 C=C(C)c1cc2sccc2cn1 271570a_100000694244_200016184645 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 C=C(C)c1ccc2ccsc2c1 271570a_100000694244_100009888917 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 C=C(C)c1ccc2sccc2c1 271570a_100000694244_100009814439 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.430 C=C(C)c1cnc2sccc2c1 271570a_100000694244_100010135160 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.430 C=C(C)c1ncc2ccsc2n1 271570a_100000694244_100009840870 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,0,0,0,0,1|2,1,0]=4 22 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,0,0,0,0,1|2,1,0]=4 25 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,0,0,0,0,1|2,1,0]=4 30 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,0,0,0,0,1|2,1,0]=4 33 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,0,0,0,0,1|2,0,0]=3 34 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.543 CC(=O)Cc1cn2ccsc2n1 1458a_200000182245_200000210301 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.543 [13CH3]C(=O)Cc1cn2ccsc2n1 1458a_200000182245_200025704644 [0,0,0,0,0,1|2,0,1]=4 41 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,1,0,0,0|1,1,0]=4 43 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.66 CC(O)C=Cc1ccsc1 271570a_200011019289_100000738268 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,1,0,0,0|1,1,0]=4 48 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [1,0,1,0,0,0|1,0,0]=3 51 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [1,0,1,0,0,0|1,0,0]=3 52 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.31 C=Cc1coc(c1)C(=O)N 271570a_100011290941_200009817131 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.31 C=Cc1csc(c1)C(=O)N 271570a_100011290941_100009812991 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [1,0,1,0,0,0|1,0,1]=4 59 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [1,0,1,0,0,0|1,0,1]=4 60 B10R1.35 C=Cc1cc(sc1C)C=O 271570a_100011290941_100000708457 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.96 CC=Cc1coc(c1)C=O 271570a_100016259895_100000747035 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.96 CC=Cc1csc(c1)C=O 271570a_100016259895_100000211722 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.96 CCSc1ccc([nH]1)C=O 62a_100000210202_100009875417 [1,0,1,0,0,0|0,0,2]=4 64 B10R1.96 O=Cc1ccc([nH]1)SCF 62a_100015361967_100009875417 [1,0,1,0,0,0|1,0,1]=4 65 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.298 CC(=O)/C(=C/c1ccsc1)/C#N 1458a_100138434748_200000210301 [0,1,1,0,0,0|1,0,1]=4 67 B12R1.298 [13CH3]C(=O)/C(=C/c1ccsc1)/C#N 1458a_100138434748_200025704644 [0,1,1,0,0,0|1,0,1]=4 68 B12R1.179 C=C=Cc1ccc([nH]1)C(=O)OC 271570a_100015277604_100000687774 [0,1,1,0,0,0|1,0,1]=4 69 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC 271570a_100016259895_100000687774 [0,1,1,0,0,0|1,0,1]=4 70 B12R1.179 CC=Cc1coc(c1)C(=O)OC 271570a_100016259895_100009992624 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.179 CC=Cc1csc(c1)C(=O)OC 271570a_100016259895_100009815473 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.179 CCSc1ccc([nH]1)C(=O)OC 62a_100000210202_100000687774 [0,1,1,0,0,0|0,0,2]=4 73 B12R1.179 COC(=O)c1ccc([nH]1)SCF 62a_100015361967_100000687774 [0,1,1,0,0,0|1,0,1]=4 74 B12R1.337 C=CCSc1ccc([nH]1)C(=O)C 62a_200010494458_100000210623 [0,1,1,0,0,0|1,0,0]=3 75 B12R1.337 C=CCSc1ccc(o1)C(=O)C 62a_100000210623_100000229899 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.337 C=CCSc1ccc(s1)C(=O)C 62a_100000183331_100000210623 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.337 C=CCSc1ccc(s1)C(=O)C 62a_100000210623_200000034408 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.337 C=CCSc1ccc(s1)C(=O)N 62a_100000162267_100000210623 [0,1,1,0,0,0|2,0,0]=4 79 B12R1.337 CC(=O)c1ccc([nH]1)SCC=O 62a_200010494458_200015260668 [0,1,1,0,0,0|1,0,1]=4 80 B12R1.389 CC(=Cc1c[nH]c(c1)C(=O)N)C 271570a_100102525489_100000229580 [0,1,1,0,0,0|2,0,0]=4 81 B14R2.966 CCC(=O)c1ccc2ccsc2c1 1458a_100000045399_100000210202 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.966 CCC(=O)c1ccc2sccc2c1 1458a_100000766740_100000210202 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.966 CNC(=O)c1ccc2ccsc2c1 11a_106832991635_100000045399 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.966 CNC(=O)c1ccc2ccsc2c1 1626a_100102657272_100000045399 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.966 CNC(=O)c1ccc2ccsc2c1 240690a_100102657272_100000045399 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.966 CNC(=O)c1ccc2ccsc2c1 527a_100102657272_100000045399 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.966 CNC(=O)c1ccc2sccc2c1 11a_106832991635_100000766740 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.966 CNC(=O)c1ccc2sccc2c1 1626a_100102657272_100000766740 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.966 CNC(=O)c1ccc2sccc2c1 240690a_100102657272_100000766740 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.966 CNC(=O)c1ccc2sccc2c1 527a_100102657272_100000766740 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.966 O=C(CF)c1ccc2ccsc2c1 1458a_100000045399_100015361967 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.966 O=C(CF)c1ccc2sccc2c1 1458a_100000766740_100015361967 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.10637 COC(=O)c1cc2scc(c2[nH]1)O 271570a_203496583355_200010253063 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.10637 COC(=O)c1cc2scc(c2s1)O 271570a_203496583355_100103148757 [0,2,0,0,0,0|2,0,0]=4 97 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,0,1,1,0,0|2,0,0]=4 98 B12R1.264 NC(=O)C(=O)NCc1cccs1 240690a_100000211653_100011215815 [0,0,1,0,0,1|2,0,0]=4 99 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,0,0,1|2,0,0]=4 100 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,0,0,0,0,1|2,0,0]=4 101 B12R2.44 C=Cc1cc2sccc2cn1 271570a_100011290941_200016184645 [1,0,0,0,0,1|2,0,0]=4 102 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [1,0,0,0,0,1|2,0,0]=4 103 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [1,0,0,0,0,1|2,0,0]=4 104 B12R2.44 C=Cc1cnc2sccc2c1 271570a_100011290941_100010135160 [1,0,0,0,0,1|1,0,1]=4 105 B12R2.44 C=Cc1ncc2ccsc2n1 271570a_100011290941_100009840870 [1,0,0,0,0,1|1,0,1]=4 106 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 11a_100000681076_100015343762 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 1626a_100000681076_100015343762 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 22a_100000681076_100000070787 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 527a_100000681076_100103153847 [0,0,0,0,0,2|2,0,0]=4