0 B13R2.10 Brc1cc([nH]n1)c2ccccc2 271570a_100011218836_100160470719 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.10 Cc1cc(sn1)c2ccccc2 271570a_100011218836_100009815735 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100000696845_100000210277 [0,0,0,0,0,0|1,1,2]=4 7 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100011218836_100000764884 [0,0,0,0,0,0|1,1,2]=4 8 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.10 Cc1nnc(o1)c2ccccn2 271570a_100011264011_100000708914 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.10 Cc1nnc(o1)c2cccnc2 271570a_100000757648_100000708914 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.10 Cc1nnc(o1)c2ccncc2 271570a_100000752145_100000708914 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.10 Cc1nnc(s1)c2ccccc2 271570a_100011218836_100000686958 [0,0,0,0,0,0|2,1,1]=4 13 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 Cc1nsc(n1)c2ccccc2 271570a_100011218836_100000709739 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.10 Nc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100009822546 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.10 Nc1csc(n1)c2ccccc2 271570a_100011218836_200015188442 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.10 Nc1nc(cs1)c2ccccc2 271570a_100011218836_100011998049 [0,0,0,0,0,0|2,0,2]=4 18 B13R2.10 Nc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100015184587 [0,0,0,0,0,0|2,0,2]=4 19 B13R2.10 Nc1nnc(s1)c2ccccc2 271570a_100011218836_100000738278 [0,0,0,0,0,0|1,1,1]=3 20 B13R2.10 Nc1nnc(s1)c2ccccn2 271570a_100011264011_100000738278 [0,0,0,0,0,0|2,1,1]=4 21 B13R2.10 Nc1nnc(s1)c2cccnc2 271570a_100000757648_100000738278 [0,0,0,0,0,0|2,1,1]=4 22 B13R2.10 Nc1nnc(s1)c2ccncc2 271570a_100000752145_100000738278 [0,0,0,0,0,0|2,1,1]=4 23 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.10 Oc1cnc(o1)c2ccccc2 271570a_203496583355_100009814072 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.10 Oc1n[nH]c(n1)c2ccccc2 271570a_203496583355_100010173362 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.10 Oc1ncc(o1)c2ccccc2 271570a_203496583355_100000729704 [0,0,0,0,0,0|1,0,2]=3 27 B13R2.10 Oc1ncc(s1)c2ccccc2 271570a_203496583355_100000685549 [0,0,0,0,0,0|1,1,2]=4 28 B13R2.10 Oc1nnc(s1)c2ccccc2 271570a_203496583355_100000694505 [0,0,0,0,0,0|2,1,1]=4 29 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B12R2.2 c1cc(ccn1)c2cnco2 271570a_100000752145_100020591547 [1,0,0,0,0,0|1,0,2]=4 34 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [1,0,0,0,0,0|1,0,2]=4 35 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [1,0,0,0,0,0|1,0,2]=4 36 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [1,0,0,0,0,0|0,0,2]=3 37 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [1,0,0,0,0,0|0,1,2]=4 38 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [1,0,0,0,0,0|0,1,2]=4 39 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.2 c1ccc(cc1)c2ncns2 271570a_100011218836_100000693119 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.2 c1ccc(cc1)c2nncs2 271570a_100011218836_100000739804 [1,0,0,0,0,0|1,1,1]=4 42 B12R2.2 c1ccc(nc1)c2cnco2 271570a_100011264011_100020591547 [1,0,0,0,0,0|1,0,2]=4 43 B12R2.2 c1cncc(c1)c2cnco2 271570a_100000757648_100020591547 [1,0,0,0,0,0|1,0,2]=4 44 B14R2.8 C=Cc1ncc(o1)c2ccccc2 271570a_100011290941_100000729704 [0,1,0,0,0,0|1,0,2]=4 45 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.8 CNc1ncc(o1)c2ccccc2 27a_100102657272_100000729704 [0,1,0,0,0,0|0,0,2]=3 47 B14R2.8 CNc1ncc(s1)c2ccccc2 27a_100102657272_100000685549 [0,1,0,0,0,0|0,1,2]=4 48 B14R2.8 CNc1nnc(o1)c2ccccc2 27a_100102657272_100000240041 [0,1,0,0,0,0|1,0,1]=3 49 B14R2.8 CNc1nnc(s1)c2ccccc2 271570a_100011218836_200012111945 [0,1,0,0,0,0|1,1,1]=4 50 B14R2.8 CNc1nnc(s1)c2ccccc2 27a_100102657272_100000694505 [0,1,0,0,0,0|1,1,1]=4 51 B14R2.8 CNc1noc(n1)c2ccccc2 27a_100102657272_200000701163 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.8 CSc1ncc(o1)c2ccccc2 62a_200000210301_100000729704 [0,1,0,0,0,0|1,0,2]=4 53 B14R2.8 CSc1nnc(o1)c2ccccc2 62a_200000210301_100000240041 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.8 NCc1ccc(o1)c2ccccc2 271570a_100011218836_100000708654 [0,1,0,0,0,0|1,0,2]=4 55 B14R2.8 NCc1ncc(s1)c2ccccc2 271570a_100011218836_100016991807 [0,1,0,0,0,0|0,1,2]=4 56 B14R2.8 [13CH3]Sc1ncc(o1)c2ccccc2 62a_200025704644_100000729704 [0,1,0,0,0,0|1,0,2]=4 57 B14R2.8 [13CH3]Sc1nnc(o1)c2ccccc2 62a_200025704644_100000240041 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.20 Cc1ccc(cc1)c2nnc(o2)C 271570a_100000708704_100000708914 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.20 Cc1ccc(cc1)c2nnc(s2)N 271570a_100000708704_100000738278 [0,1,0,0,0,0|1,1,1]=4 60 B14R2.20 Cc1nnc(o1)c2ccc(cc2)Br 271570a_100010235827_100000708914 [0,1,0,0,0,0|2,0,1]=4 61 B14R2.20 Cc1nnc(o1)c2ccc(cc2)Cl 271570a_100011213355_100000708914 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.20 Cc1nnc(o1)c2ccc(cc2)F 271570a_100011934326_100000708914 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.20 Cc1nnc(o1)c2ccc(cc2)I 271570a_100000033156_100000708914 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.20 Cc1nnc(o1)c2ccc(cc2)N 271570a_100015188457_100000708914 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O 271570a_100015205159_100000708914 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O 271570a_203496583355_100000185884 [0,1,0,0,0,0|2,0,1]=4 67 B14R2.20 Nc1ccc(cc1)c2nnc(s2)N 271570a_100015188457_100000738278 [0,1,0,0,0,0|1,1,1]=4 68 B14R2.20 Nc1ncc(s1)c2ccc(cc2)O 271570a_203496583355_100000189506 [0,1,0,0,0,0|0,1,2]=4 69 B14R2.20 Nc1nnc(s1)c2ccc(cc2)Br 271570a_100010235827_100000738278 [0,1,0,0,0,0|1,1,1]=4 70 B14R2.20 Nc1nnc(s1)c2ccc(cc2)Cl 271570a_100011213355_100000738278 [0,1,0,0,0,0|1,1,1]=4 71 B14R2.20 Nc1nnc(s1)c2ccc(cc2)F 271570a_100011934326_100000738278 [0,1,0,0,0,0|1,1,1]=4 72 B14R2.20 Nc1nnc(s1)c2ccc(cc2)I 271570a_100000033156_100000738278 [0,1,0,0,0,0|1,1,1]=4 73 B14R2.20 Nc1nnc(s1)c2ccc(cc2)O 271570a_100015205159_100000738278 [0,1,0,0,0,0|1,1,1]=4 74 B14R2.20 Nc1nnc(s1)c2ccc(cc2)O 271570a_203496583355_200011230174 [0,1,0,0,0,0|1,1,1]=4 75 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.22 Cc1cccc(c1)c2nnc(o2)C 271570a_100000749446_100000708914 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.22 Cc1cccc(c1)c2nnc(s2)N 271570a_100000749446_100000738278 [0,1,0,0,0,0|1,1,1]=4 78 B14R2.22 Cc1nnc(o1)c2cccc(c2)Cl 271570a_100011214927_100000708914 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.22 Cc1nnc(o1)c2cccc(c2)F 271570a_100012349223_100000708914 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.22 Cc1nnc(o1)c2cccc(c2)I 271570a_100000043368_100000708914 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.22 Cc1nnc(o1)c2cccc(c2)N 271570a_100000699968_100000708914 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.22 Cc1nnc(o1)c2cccc(c2)O 271570a_100000693801_100000708914 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.22 Cc1nnc(o1)c2cccc(c2)O 271570a_203496583355_100000756742 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.22 Nc1cccc(c1)c2nnc(s2)N 271570a_100000699968_100000738278 [0,1,0,0,0,0|1,1,1]=4 85 B14R2.22 Nc1nnc(o1)c2cccc(c2)O 271570a_203496583355_100000184473 [0,1,0,0,0,0|1,0,1]=3 86 B14R2.22 Nc1nnc(s1)c2cccc(c2)Cl 271570a_100011214927_100000738278 [0,1,0,0,0,0|1,1,1]=4 87 B14R2.22 Nc1nnc(s1)c2cccc(c2)F 271570a_100012349223_100000738278 [0,1,0,0,0,0|1,1,1]=4 88 B14R2.22 Nc1nnc(s1)c2cccc(c2)I 271570a_100000043368_100000738278 [0,1,0,0,0,0|1,1,1]=4 89 B14R2.22 Nc1nnc(s1)c2cccc(c2)O 271570a_100000693801_100000738278 [0,1,0,0,0,0|1,1,1]=4 90 B14R2.22 Nc1nnc(s1)c2cccc(c2)O 271570a_203496583355_200000754521 [0,1,0,0,0,0|1,1,1]=4 91 B14R2.22 Oc1cccc(c1)c2nnc(o2)O 271570a_203496583355_200012028785 [0,1,0,0,0,0|2,0,1]=4 92 B14R2.256 Cc1ccccc1c2nnc(s2)N 271570a_100000747142_100000738278 [0,1,0,0,0,0|1,1,1]=4 93 B14R2.256 Cc1nnc(o1)c2ccccc2C 271570a_100000747142_100000708914 [0,1,0,0,0,0|2,0,1]=4 94 B14R2.256 Cc1nnc(o1)c2ccccc2Cl 271570a_100011934419_100000708914 [0,1,0,0,0,0|2,0,1]=4 95 B14R2.256 Cc1nnc(o1)c2ccccc2F 271570a_100000761933_100000708914 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.256 Cc1nnc(o1)c2ccccc2I 271570a_100000069755_100000708914 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.256 Cc1nnc(o1)c2ccccc2N 271570a_100000034411_100000708914 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.256 Cc1nnc(o1)c2ccccc2O 271570a_100000035170_100000708914 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.256 Cc1nnc(o1)c2ccccc2O 271570a_203496583355_100000209789 [0,1,0,0,0,0|2,0,1]=4 100 B14R2.256 Nc1nnc(o1)c2ccccc2O 271570a_203496583355_100011209138 [0,1,0,0,0,0|1,0,1]=3 101 B14R2.256 Nc1nnc(s1)c2ccccc2Cl 271570a_100011934419_100000738278 [0,1,0,0,0,0|1,1,1]=4 102 B14R2.256 Nc1nnc(s1)c2ccccc2F 271570a_100000761933_100000738278 [0,1,0,0,0,0|1,1,1]=4 103 B14R2.256 Nc1nnc(s1)c2ccccc2I 271570a_100000069755_100000738278 [0,1,0,0,0,0|1,1,1]=4 104 B14R2.256 Nc1nnc(s1)c2ccccc2N 271570a_100000034411_100000738278 [0,1,0,0,0,0|1,1,1]=4 105 B14R2.256 Nc1nnc(s1)c2ccccc2O 271570a_100000035170_100000738278 [0,1,0,0,0,0|1,1,1]=4 106 B14R2.256 O=C1CC(CN1)c2ccccc2O 271570a_203496583355_100015473168 [0,1,0,0,0,0|2,0,1]=4 107 B14R2.598 Cn1nc(cc1c2ccccc2)N 271570a_100011218836_100116209741 [0,1,0,0,0,0|2,0,1]=4 108 B14R2.4514 Nc1n[nH]c(c1O)c2ccccc2 271570a_203496583355_200009813480 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,0,1,0,0,0|2,0,1]=4 110 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,0,1,0,0,0|2,0,1]=4 111 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,0,1,0,0,0|2,0,1]=4 112 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,0,1,0,0,0|1,0,2]=4 115 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,0,1,0,0,0|2,0,1]=4 116 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,0,1,0,0,0|2,0,1]=4 118 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,0,1,0,0,0|2,0,1]=4 119 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,0,1,0,0,0|2,0,1]=4 120 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,0,1,0,0,0|1,0,2]=4 121 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,1,0,0,0|2,0,1]=4 128 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,1,0,0,0|2,0,1]=4 129 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,1,0,0,0|2,0,1]=4 130 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,1,0,0,0|2,0,1]=4 131 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,1,0,0,0|2,0,1]=4 132 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,1,0,0,0|2,0,1]=4 133 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,1,0,0,0|2,0,1]=4 135 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,1,0,0,0|2,0,1]=4 137 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,1,0,0,0|2,0,1]=4 138 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,1,0,0,0|2,0,1]=4 140 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,0,1,0,0,0|1,0,2]=4 141 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,0,1,0,0,0|1,0,2]=4 142 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,0,1,0,0,0|1,0,2]=4 143 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,0,1,0,0,0|2,0,1]=4 144 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,0,1,0,0,0|2,0,1]=4 145 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,0,1,0,0,0|2,0,1]=4 146 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,0,1,0,0,0|2,0,1]=4 147 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,0,1,0,0,0|2,0,1]=4 148 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,0,1,0,0,0|2,0,1]=4 149 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,0,1,0,0,0|3,0,0]=4 155 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,0,1,0,0,0|2,0,1]=4 157 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,0,1,0,0,0|2,0,1]=4 158 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,0,1,0,0,0|2,0,1]=4 159 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,0,1,0,0,0|2,0,1]=4 160 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,1,0,0,0|3,0,0]=4 164 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,1,0,0,0|3,0,0]=4 165 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,1,0,0,0|3,0,0]=4 166 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,1,0,0,0|3,0,0]=4 168 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,1,0,0,0|3,0,0]=4 169 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,0,1,0,0,0|2,0,1]=4 170 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,0,1,0,0,0|2,0,1]=4 171 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,0,1,0,0,0|2,0,1]=4 172 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,1,0,0,0|3,0,0]=4 173 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,0|3,0,0]=4 174 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,0|3,0,0]=4 175 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,0|3,0,0]=4 176 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,0|3,0,0]=4 177 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,0|3,0,0]=4 178 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,0|3,0,0]=4 179 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,0|3,0,0]=4 180 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,1,0,0,0|2,0,1]=4 181 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,1,0,0,0|2,0,1]=4 182 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,1,0,0,0|1,0,2]=4 183 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,1,0,0,0|1,0,2]=4 184 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,1,0,0,0|1,0,2]=4 185 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,1,0,0,0|1,0,2]=4 186 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,1,0,0,0|2,0,1]=4 187 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,1,0,0,0|2,0,1]=4 188 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,1,0,0,0|2,0,1]=4 189 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,1,0,0,0|2,0,1]=4 190 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,1,0,0,0|2,0,1]=4 191 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,1,0,0,0|2,0,1]=4 192 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,1,0,0,0|2,0,1]=4 193 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,1,0,0,0|2,0,1]=4 194 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,1,0,0,0|2,0,1]=4 195 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,1,0,0,0|2,0,1]=4 196 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,1,0,0,0|2,0,1]=4 197 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,1,0,0,0|2,0,1]=4 198 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,1,0,0,0|3,0,0]=4 199 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,1,0,0,0|2,0,1]=4 200 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,0,1,0|3,0,0]=4 201 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,0,1,0|3,0,0]=4 202 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,0,1,0|3,0,0]=4 203 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,0,1,0|3,0,0]=4 204 B14R2.19 Cc1nnc(o1)Nc2ccccc2 27a_100000106764_100000708914 [0,0,0,0,0,1|2,0,1]=4 205 B14R2.19 Cc1nnc(o1)Sc2ccccc2 62a_100000719477_100000708914 [0,0,0,0,0,1|2,0,1]=4 206 B14R2.19 Nc1ncc(s1)Sc2ccccc2 62a_100000718969_100000041952 [0,0,0,0,0,1|0,1,2]=4 207 B14R2.19 Nc1ncc(s1)Sc2ccccc2 62a_100000719477_100000718969 [0,0,0,0,0,1|0,1,2]=4 208 B14R2.19 Nc1nnc(s1)Nc2ccccc2 27a_100000106764_100000738278 [0,0,0,0,0,1|1,1,1]=4 209 B14R2.19 Nc1nnc(s1)Sc2ccccc2 62a_100000719477_100000738278 [0,0,0,0,0,1|1,1,1]=4 210 B14R2.19 Nc1nnc(s1)Sc2ccccc2 62a_100000738278_100000041952 [0,0,0,0,0,1|1,1,1]=4 211 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,0,0,1|2,0,0]=3 212 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,0,0,1|2,0,0]=3 213 B14R2.19 O=C1OCC(O1)Oc2cccnc2 34a_100000210849_100000032252 [0,0,0,0,0,1|3,0,0]=4 214 B14R2.19 O=C1OCC(O1)Oc2ccncc2 34a_100000212176_100000032252 [0,0,0,0,0,1|3,0,0]=4 215 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,0,0,1|2,0,0]=3 216 B14R2.19 O=C1OCC(O1)Sc2ccccn2 62a_100011216584_100000032252 [0,0,0,0,0,1|3,0,0]=4 217 B14R2.19 O=C1OCC(O1)Sc2cccnc2 62a_100000210063_100000032252 [0,0,0,0,0,1|3,0,0]=4 218 B14R2.19 O=C1OCC(O1)Sc2ccncc2 62a_100000728582_100000032252 [0,0,0,0,0,1|3,0,0]=4 219 B14R2.21 Nc1cc(ccn1)c2ccccc2 271570a_100011218836_100000744379 [0,0,0,0,0,1|1,0,2]=4 220 B14R2.21 Nc1cc(ccn1)c2ccccc2 271570a_102125402725_100000210277 [0,0,0,0,0,1|1,0,2]=4 221 B14R2.21 Nc1cc(cnn1)c2ccccc2 271570a_100011218836_100000130277 [0,0,0,0,0,1|1,0,2]=4 222 B14R2.21 Nc1cc(ncn1)c2ccccc2 271570a_100011218836_100000701291 [0,0,0,0,0,1|1,0,2]=4 223 B14R2.21 Nc1cncc(c1)c2ccccc2 271570a_100000069896_100000210277 [0,0,0,0,0,1|1,0,2]=4 224 B14R2.21 Nc1cncc(c1)c2ccccc2 271570a_100011218836_100000687067 [0,0,0,0,0,1|1,0,2]=4 225 B14R2.21 Nc1cncc(n1)c2ccccc2 271570a_100011218836_100009819714 [0,0,0,0,0,1|1,0,2]=4 226 B14R2.21 Nc1nccc(n1)c2ccccc2 271570a_100011218836_100009820717 [0,0,0,0,0,1|1,0,2]=4 227 B14R2.21 Nc1ncnc(n1)c2ccccc2 271570a_100011218836_100000123831 [0,0,0,0,0,1|1,0,2]=4 228 B14R2.68 Nc1ccc(cn1)c2ccccc2 271570a_100000062249_100000210277 [0,0,0,0,0,1|1,0,2]=4 229 B14R2.68 Nc1ccc(cn1)c2ccccc2 271570a_100011218836_100000187370 [0,0,0,0,0,1|1,0,2]=4 230 B14R2.68 Nc1ccc(nn1)c2ccccc2 271570a_100011218836_100009816609 [0,0,0,0,0,1|2,0,1]=4 231 B14R2.68 Nc1cnc(cn1)c2ccccc2 271570a_100011218836_100000761932 [0,0,0,0,0,1|1,0,2]=4 232 B14R2.68 Nc1ncc(cn1)c2ccccc2 271570a_100000068091_100000210277 [0,0,0,0,0,1|1,0,2]=4 233 B14R2.68 Nc1ncc(cn1)c2ccccc2 271570a_100011218836_100000760574 [0,0,0,0,0,1|1,0,2]=4 234 B14R2.68 Nc1ncc(nn1)c2ccccc2 271570a_100011218836_100000691435 [0,0,0,0,0,1|1,0,2]=4 235 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,0,1,0,0,0|1,0,1]=4 236 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,0,1,0,0,0|1,0,1]=4 237 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,0,1,0,0,0|1,0,1]=4 238 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,0,1,0,0,0|1,0,1]=4 239 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,0,1,0,0,0|1,0,1]=4 240 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,0,1,0,0,0|0,0,2]=4 241 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,0,1,0,0,0|1,0,1]=4 242 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,0,1,0,0,0|1,0,1]=4 243 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,0,1,0,0,0|1,0,1]=4 244 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,0,1,0,0,0|0,0,2]=4 245 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,0,1,0,0,0|1,0,1]=4 246 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,0,1,0,0,0|1,0,1]=4 247 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,1,0,0,0|1,0,1]=4 248 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,1,0,0,0|1,0,1]=4 249 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,1,0,0,0|1,0,1]=4 250 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,1,0,0,0|0,0,2]=4 251 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,1,0,0,0|0,0,2]=4 252 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,1,0,0,0|0,0,2]=4 253 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,1,0,0,0|0,0,2]=4 254 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,1,0,0,0|0,0,2]=4 255 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,1,0,0,0|0,0,2]=4 256 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,1,0,0,0|0,0,2]=4 257 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,1,0,0,0|1,0,1]=4 258 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,1,0,0,0|1,0,1]=4 260 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,1,0,0,0|1,0,1]=4 261 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,1,0,0,0|1,0,1]=4 262 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,1,0,0,0|1,0,1]=4 263 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,0,1,0,0,0|1,0,1]=4 264 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,0,1,0,0,0|1,0,1]=4 265 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,1,0,0,0|0,0,2]=4 266 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,1,0,0,0|1,0,1]=4 267 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,1,0,0,0|1,0,1]=4 268 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,1,0,0,0|1,0,1]=4 269 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,1,0,0,0|1,0,1]=4 270 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,0,1,0,0,0|2,0,0]=4 271 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,1,0,0,0|1,0,1]=4 272 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,1,0,0,0|1,0,1]=4 273 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,1,0,0,0|1,0,1]=4 274 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,1,0,0,0|0,0,2]=4 275 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,1,0,0,0|0,0,2]=4 276 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,1,0,0,0|1,0,1]=4 277 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,0,1,0,0,0|1,0,1]=4 278 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,0,1,0,0,0|1,0,1]=4 279 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,0,1,0,0,0|1,0,1]=4 280 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,0,1,0,0,0|1,0,1]=4 281 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,0,1,0,0,0|1,0,1]=4 282 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,1,0,0,0|2,0,0]=4 283 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,1,0,0,0|2,0,0]=4 285 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,1,0,0,0|2,0,0]=4 286 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,1,0,0,0|2,0,0]=4 287 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,1,0,0,0|2,0,0]=4 288 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,0,1,0,0,0|1,0,1]=4 289 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,0,1,0,0,0|1,0,1]=4 290 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,0,1,0,0,0|1,0,1]=4 291 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,1,0,0,0|2,0,0]=4 292 B13R1.26 C=CCOC(CBr)c1ccccc1 7a_100000185958_100015514636 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.26 C=CCOC(CN)c1ccccc1 34a_100000210709_100015514636 [0,1,1,0,0,0|1,0,1]=4 296 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 34a_100011933945_100015514636 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 7a_100011933945_100015514636 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.26 NCC(OCC=O)c1ccccc1 34a_100000210709_200009817547 [0,1,1,0,0,0|1,0,1]=4 301 B13R1.26 O=CCOC(CBr)c1ccccc1 7a_100000185958_200015260668 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 34a_100011933945_200009817547 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 7a_100011933945_200015260668 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,1,1,0,0,0|1,0,1]=4 305 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,1,1,0,0,0|1,0,1]=4 306 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,1,1,0,0,0|1,0,1]=4 307 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.42 CSCC(=O)OCc1ccccc1 62a_100000753625_200000210301 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.42 CSCC(=O)OCc1ccccc1 62a_200000210301_100000753625 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_100000753625_200025704644 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_200025704644_100000753625 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [0,1,1,0,0,0|1,0,1]=4 314 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [0,1,1,0,0,0|1,0,1]=4 316 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,1,1,0,0,0|1,0,1]=4 323 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,1,1,0,0,0|1,0,1]=4 324 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [0,1,1,0,0,0|1,0,1]=4 325 B13R1.24 O=CCSCC(O)c1ccccc1 62a_100000185958_200015260668 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.24 O=CCSCC(O)c1ccccc1 62a_200015260668_100000185958 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_100011933945_200015260668 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_200015260668_100011933945 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,1,1,0,0,0|1,0,1]=4 331 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,1,1,0,0,0|1,0,1]=4 332 B13R1.718 CC(=NNCc1ccccc1)CO 4a_100000007032_100000211253 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,1,0,0,0|1,0,1]=4 334 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,1,0,0,0|1,0,1]=4 335 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,1,0,0,0|1,0,1]=4 336 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,1,0,0,0|1,0,1]=4 337 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,1,0,0,0|0,0,2]=4 338 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,1,0,0,0|0,0,2]=4 339 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,1,0,0,0|0,0,2]=4 340 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,1,0,0,0|0,0,2]=4 341 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,1,0,0,0|0,0,2]=4 342 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,1,0,0,0|0,0,2]=4 343 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,1,0,0,0|1,0,1]=4 345 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,1,0,0,0|1,0,1]=4 346 B13R2.12 Brc1ccc(cc1)c2cnco2 271570a_100010235827_100020591547 [1,1,0,0,0,0|0,0,2]=4 347 B13R2.12 Cc1ccc(cc1)c2cnco2 271570a_100000708704_100020591547 [1,1,0,0,0,0|0,0,2]=4 348 B13R2.12 Clc1ccc(cc1)c2cnco2 271570a_100011213355_100020591547 [1,1,0,0,0,0|0,0,2]=4 349 B13R2.12 Fc1ccc(cc1)c2cnco2 271570a_100011934326_100020591547 [1,1,0,0,0,0|0,0,2]=4 350 B13R2.12 Ic1ccc(cc1)c2cnco2 271570a_100000033156_100020591547 [1,1,0,0,0,0|0,0,2]=4 351 B13R2.12 Nc1ccc(cc1)c2cnco2 271570a_100015188457_100020591547 [1,1,0,0,0,0|0,0,2]=4 352 B13R2.12 Oc1ccc(cc1)c2cnco2 271570a_100015205159_100020591547 [1,1,0,0,0,0|0,0,2]=4 353 B13R2.12 Oc1ccc(cc1)c2cnco2 271570a_203496583355_100009814239 [1,1,0,0,0,0|0,0,2]=4 354 B13R2.12 Oc1ccc(cc1)c2nnco2 271570a_203496583355_100000179025 [1,1,0,0,0,0|1,0,1]=4 355 B13R2.13 Cc1cccc(c1)c2cnco2 271570a_100000749446_100020591547 [1,1,0,0,0,0|0,0,2]=4 356 B13R2.13 Clc1cccc(c1)c2cnco2 271570a_100011214927_100020591547 [1,1,0,0,0,0|0,0,2]=4 357 B13R2.13 Fc1cccc(c1)c2cnco2 271570a_100012349223_100020591547 [1,1,0,0,0,0|0,0,2]=4 358 B13R2.13 Ic1cccc(c1)c2cnco2 271570a_100000043368_100020591547 [1,1,0,0,0,0|0,0,2]=4 359 B13R2.13 Nc1cccc(c1)c2cnco2 271570a_100000699968_100020591547 [1,1,0,0,0,0|0,0,2]=4 360 B13R2.13 Oc1cccc(c1)c2cnco2 271570a_100000693801_100020591547 [1,1,0,0,0,0|0,0,2]=4 361 B13R2.13 Oc1cccc(c1)c2cnco2 271570a_203496583355_100009816722 [1,1,0,0,0,0|0,0,2]=4 362 B13R2.13 Oc1cccc(c1)c2nnco2 271570a_203496583355_100000187340 [1,1,0,0,0,0|1,0,1]=4 363 B13R2.18 Cc1ccccc1c2cnco2 271570a_100000747142_100020591547 [1,1,0,0,0,0|0,0,2]=4 364 B13R2.18 Clc1ccccc1c2cnco2 271570a_100011934419_100020591547 [1,1,0,0,0,0|0,0,2]=4 365 B13R2.18 Fc1ccccc1c2cnco2 271570a_100000761933_100020591547 [1,1,0,0,0,0|0,0,2]=4 366 B13R2.18 Ic1ccccc1c2cnco2 271570a_100000069755_100020591547 [1,1,0,0,0,0|0,0,2]=4 367 B13R2.18 Nc1ccccc1c2cnco2 271570a_100000034411_100020591547 [1,1,0,0,0,0|0,0,2]=4 368 B13R2.18 Oc1ccccc1c2cnco2 271570a_100000035170_100020591547 [1,1,0,0,0,0|0,0,2]=4 369 B13R2.18 Oc1ccccc1c2cnco2 271570a_203496583355_100009816723 [1,1,0,0,0,0|0,0,2]=4 370 B13R2.18 Oc1ccccc1c2nnco2 271570a_203496583355_100000179026 [1,1,0,0,0,0|1,0,1]=4 371 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,0,1,0|1,0,1]=4 372 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,0,1,0|1,0,1]=4 373 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,0,1,0|1,0,1]=4 374 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,1,0,0,1,0|2,0,0]=4 375 B15R2.98 Cc1ccc(cc1)NC2COC(=O)O2 34a_100000124888_100000032252 [0,1,0,0,0,1|2,0,0]=4 376 B15R2.98 Cc1ccc(cc1)OC2COC(=O)O2 34a_100000210336_100000032252 [0,1,0,0,0,1|2,0,0]=4 377 B15R2.98 Cc1ccc(cc1)SC2COC(=O)O2 62a_100000186775_100000032252 [0,1,0,0,0,1|2,0,0]=4 378 B15R2.98 Nc1ccc(cc1)OC2COC(=O)O2 34a_100000185829_100000032252 [0,1,0,0,0,1|2,0,0]=4 379 B15R2.98 Nc1ccc(cc1)SC2COC(=O)O2 62a_100000185761_100000032252 [0,1,0,0,0,1|2,0,0]=4 380 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Br 34a_100000210018_100000032252 [0,1,0,0,0,1|2,0,0]=4 381 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Cl 34a_100000210052_100000032252 [0,1,0,0,0,1|2,0,0]=4 382 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)F 34a_100000185862_100000032252 [0,1,0,0,0,1|2,0,0]=4 383 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)I 34a_100000185761_100000032252 [0,1,0,0,0,1|2,0,0]=4 384 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)O 34a_100000185829_100000032252 [0,1,0,0,0,1|2,0,0]=4 385 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Br 34a_100000185759_100000032252 [0,1,0,0,0,1|2,0,0]=4 386 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Cl 34a_100000210216_100000032252 [0,1,0,0,0,1|2,0,0]=4 387 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)F 34a_100000210339_100000032252 [0,1,0,0,0,1|2,0,0]=4 388 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)I 34a_100000212066_100000032252 [0,1,0,0,0,1|2,0,0]=4 389 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Br 62a_100000752885_100000032252 [0,1,0,0,0,1|2,0,0]=4 390 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Cl 62a_100000755918_100000032252 [0,1,0,0,0,1|2,0,0]=4 391 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)F 62a_100000211213_100000032252 [0,1,0,0,0,1|2,0,0]=4 392 B15R2.297 CN(c1ccccc1)C2COC(=O)O2 34a_100000210012_100000032252 [0,1,0,0,0,1|2,0,0]=4 393 B15R2.305 Cc1ccccc1NC2COC(=O)O2 34a_100015192222_100000032252 [0,1,0,0,0,1|2,0,0]=4 394 B15R2.305 Cc1ccccc1OC2COC(=O)O2 34a_100000210338_100000032252 [0,1,0,0,0,1|2,0,0]=4 395 B15R2.305 Cc1ccccc1SC2COC(=O)O2 62a_100000210755_100000032252 [0,1,0,0,0,1|2,0,0]=4 396 B15R2.305 Nc1ccccc1OC2COC(=O)O2 34a_100000185747_100000032252 [0,1,0,0,0,1|2,0,0]=4 397 B15R2.305 Nc1ccccc1SC2COC(=O)O2 62a_100000210017_100000032252 [0,1,0,0,0,1|2,0,0]=4 398 B15R2.305 O=C1OCC(O1)Nc2ccccc2Br 34a_100000210017_100000032252 [0,1,0,0,0,1|2,0,0]=4 399 B15R2.305 O=C1OCC(O1)Nc2ccccc2Cl 34a_100000185783_100000032252 [0,1,0,0,0,1|2,0,0]=4 400 B15R2.305 O=C1OCC(O1)Nc2ccccc2F 34a_100000210422_100000032252 [0,1,0,0,0,1|2,0,0]=4 401 B15R2.305 O=C1OCC(O1)Nc2ccccc2I 34a_100000210053_100000032252 [0,1,0,0,0,1|2,0,0]=4 402 B15R2.305 O=C1OCC(O1)Nc2ccccc2O 34a_100000185747_100000032252 [0,1,0,0,0,1|2,0,0]=4 403 B15R2.305 O=C1OCC(O1)Oc2ccccc2Br 34a_100000181306_100000032252 [0,1,0,0,0,1|2,0,0]=4 404 B15R2.305 O=C1OCC(O1)Oc2ccccc2Cl 34a_100000210172_100000032252 [0,1,0,0,0,1|2,0,0]=4 405 B15R2.305 O=C1OCC(O1)Oc2ccccc2F 34a_100000210171_100000032252 [0,1,0,0,0,1|2,0,0]=4 406 B15R2.305 O=C1OCC(O1)Oc2ccccc2I 34a_100000739446_100000032252 [0,1,0,0,0,1|2,0,0]=4 407 B15R2.305 O=C1OCC(O1)Sc2ccccc2Br 62a_100000695589_100000032252 [0,1,0,0,0,1|2,0,0]=4 408 B15R2.305 O=C1OCC(O1)Sc2ccccc2Cl 62a_100000764095_100000032252 [0,1,0,0,0,1|2,0,0]=4 409 B15R2.305 O=C1OCC(O1)Sc2ccccc2F 62a_100011215700_100000032252 [0,1,0,0,0,1|2,0,0]=4 410 B15R2.305 O=C1OCC(O1)Sc2ccccc2O 62a_100000739446_100000032252 [0,1,0,0,0,1|2,0,0]=4 411 B15R2.1115 Cc1cccc(c1)NC2COC(=O)O2 34a_100000188690_100000032252 [0,1,0,0,0,1|2,0,0]=4 412 B15R2.1115 Cc1cccc(c1)OC2COC(=O)O2 34a_100000210337_100000032252 [0,1,0,0,0,1|2,0,0]=4 413 B15R2.1115 Cc1cccc(c1)SC2COC(=O)O2 62a_100011215228_100000032252 [0,1,0,0,0,1|2,0,0]=4 414 B15R2.1115 Nc1cccc(c1)OC2COC(=O)O2 34a_100000210217_100000032252 [0,1,0,0,0,1|2,0,0]=4 415 B15R2.1115 Nc1cccc(c1)SC2COC(=O)O2 62a_100000210019_100000032252 [0,1,0,0,0,1|2,0,0]=4 416 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)Br 34a_100000210019_100000032252 [0,1,0,0,0,1|2,0,0]=4 417 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)Cl 34a_100000185859_100000032252 [0,1,0,0,0,1|2,0,0]=4 418 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)F 34a_100000210047_100000032252 [0,1,0,0,0,1|2,0,0]=4 419 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)I 34a_100000211102_100000032252 [0,1,0,0,0,1|2,0,0]=4 420 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)O 34a_100000210217_100000032252 [0,1,0,0,0,1|2,0,0]=4 421 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)Br 34a_100000210342_100000032252 [0,1,0,0,0,1|2,0,0]=4 422 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)Cl 34a_100000210295_100000032252 [0,1,0,0,0,1|2,0,0]=4 423 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)F 34a_100000210426_100000032252 [0,1,0,0,0,1|2,0,0]=4 424 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)I 34a_100000211634_100000032252 [0,1,0,0,0,1|2,0,0]=4 425 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)Br 62a_100000691529_100000032252 [0,1,0,0,0,1|2,0,0]=4 426 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)Cl 62a_100000699651_100000032252 [0,1,0,0,0,1|2,0,0]=4 427 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)F 62a_100000685547_100000032252 [0,1,0,0,0,1|2,0,0]=4 428 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)[S] 62a_114929384022_100000032252 [0,1,0,0,0,1|2,0,0]=4 429 B15R2.59 CN(C)c1ncc(o1)c2ccccc2 27a_100102631434_100000729704 [0,2,0,0,0,0|0,0,2]=4 430 B15R2.59 CN(C)c1nnc(o1)c2ccccc2 27a_100102631434_100000240041 [0,2,0,0,0,0|1,0,1]=4 431 B15R2.66 CCNc1ncc(o1)c2ccccc2 27a_100015525214_100000729704 [0,2,0,0,0,0|0,0,2]=4 432 B15R2.66 CCNc1nnc(o1)c2ccccc2 27a_100015525214_100000240041 [0,2,0,0,0,0|1,0,1]=4 433 B15R2.66 CNCc1nnc(o1)c2ccccc2 2230a_106832991635_100000183164 [0,2,0,0,0,0|1,0,1]=4 434 B15R2.66 CNCc1nnc(o1)c2ccccc2 34a_100102657272_100000183164 [0,2,0,0,0,0|1,0,1]=4 435 B15R2.66 CNCc1nnc(o1)c2ccccc2 7a_106832991635_100000183164 [0,2,0,0,0,0|1,0,1]=4 436 B15R2.2 COc1ccc(cc1)c2nnc(o2)N 34a_100000076201_200000210301 [0,2,0,0,0,0|1,0,1]=4 437 B15R2.2 COc1ccc(cc1)c2nnc(o2)N 7a_100000076201_200000210301 [0,2,0,0,0,0|1,0,1]=4 438 B15R2.2 [13CH3]Oc1ccc(cc1)c2nnc(o2)N 34a_100000076201_200025704644 [0,2,0,0,0,0|1,0,1]=4 439 B15R2.2 [13CH3]Oc1ccc(cc1)c2nnc(o2)N 7a_100000076201_200025704644 [0,2,0,0,0,0|1,0,1]=4 440 B15R2.18 C=Cc1cccc(c1)c2nnc(o2)N 271570a_100011290941_100000184473 [0,2,0,0,0,0|1,0,1]=4 441 B15R2.18 CSc1cccc(c1)c2nnc(o2)N 62a_100000184473_200000210301 [0,2,0,0,0,0|1,0,1]=4 442 B15R2.18 CSc1cccc(c1)c2nnc(o2)N 62a_200000210301_100000184473 [0,2,0,0,0,0|1,0,1]=4 443 B15R2.18 [13CH3]Sc1cccc(c1)c2nnc(o2)N 62a_100000184473_200025704644 [0,2,0,0,0,0|1,0,1]=4 444 B15R2.18 [13CH3]Sc1cccc(c1)c2nnc(o2)N 62a_200025704644_100000184473 [0,2,0,0,0,0|1,0,1]=4 445 B15R2.2189 C=Cc1ccccc1c2nnc(o2)N 271570a_100011290941_100011209138 [0,2,0,0,0,0|1,0,1]=4 446 B15R2.2189 CSc1ccccc1c2nnc(o2)N 62a_100011209138_200000210301 [0,2,0,0,0,0|1,0,1]=4 447 B15R2.2189 CSc1ccccc1c2nnc(o2)N 62a_200000210301_100011209138 [0,2,0,0,0,0|1,0,1]=4 448 B15R2.2189 [13CH3]Sc1ccccc1c2nnc(o2)N 62a_100011209138_200025704644 [0,2,0,0,0,0|1,0,1]=4 449 B15R2.2189 [13CH3]Sc1ccccc1c2nnc(o2)N 62a_200025704644_100011209138 [0,2,0,0,0,0|1,0,1]=4 450 B13R2.581 C=Cc1cccc2c1oc(n2)N 271570a_100011290941_100012347120 [0,0,1,1,0,0|0,0,2]=4 451 B13R2.371 Nc1ncc(c2c1cccc2)O 271570a_203496583355_100010158575 [0,0,1,1,0,0|0,0,2]=4 452 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,1,0,1,0|2,0,0]=4 453 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,1,0,1,0|2,0,0]=4 454 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,1,0,1,0|2,0,0]=4 455 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,1,0,1,0|2,0,0]=4 456 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,1,0,0,1|1,0,1]=4 457 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,1,0,0,1|1,0,1]=4 458 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,1,0,0,1|1,0,1]=4 459 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,1,0,0,1|1,0,1]=4 460 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,1,0,0,1|1,0,1]=4 461 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,1,0,0,1|1,0,1]=4 462 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,1,0,0,1|1,0,1]=4 463 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,1,0,0,1|1,0,1]=4 464 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,1,0,0,1|1,0,1]=4 465 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,1,0,0,1|1,0,1]=4 466 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,1,0,0,1|1,0,1]=4 467 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,1,0,0,1|1,0,1]=4 468 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,1,0,0,1|1,0,1]=4 469 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,1,0,0,1|1,0,1]=4 470 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,1,0,0,1|0,0,2]=4 471 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,1,0,0,1|0,0,2]=4 472 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,1,0,0,1|0,0,2]=4 473 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,1,0,0,1|1,0,1]=4 474 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,1,0,0,1|1,0,1]=4 475 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,1,0,0,1|1,0,1]=4 476 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,1,0,0,1|1,0,1]=4 477 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,0,1,0,0,1|0,0,2]=4 478 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,0,1,0,0,1|0,0,2]=4 479 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,0,1,0,0,1|0,0,2]=4 480 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,0,1,0,0,1|1,0,1]=4 481 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,0,1,0,0,1|1,0,1]=4 482 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,0,1,0,0,1|1,0,1]=4 483 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,0,1,0,0,1|1,0,1]=4 484 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,0,1,0,0,1|1,0,1]=4 485 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,1,0,0,1|1,0,1]=4 486 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100000719477_100020591547 [1,0,0,0,0,1|0,0,2]=4 487 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100020591547_100000041952 [1,0,0,0,0,1|0,0,2]=4 488 B15R2.283 O=C1NCC(O1)CNc2ccccc2 34a_100000106764_100000181169 [0,0,0,0,0,2|1,0,1]=4 489 B15R2.283 O=C1NCC(O1)COc2ccccc2 34a_100000210340_100000181169 [0,0,0,0,0,2|1,0,1]=4 490 B15R2.283 O=C1NCC(O1)COc2ccccc2 7a_100000210340_100000181169 [0,0,0,0,0,2|1,0,1]=4 491 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000181169_100000041952 [0,0,0,0,0,2|1,0,1]=4 492 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000719477_100000181169 [0,0,0,0,0,2|1,0,1]=4 493 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,0,0,2|2,0,0]=4 494 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,0,0,2|2,0,0]=4 495 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,0,0,2|2,0,0]=4 496 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,0,0,2|2,0,0]=4 497 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,0,0,2|2,0,0]=4 498 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,0,0,2|2,0,0]=4 499 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,0,0,2|2,0,0]=4