0 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [1,0,0,0,0,0|1,0,2]=4 4 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.196 Cc1cccn2c1ncc2O 271570a_203496583355_100012351083 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [1,0,0,0,0,0|1,0,2]=4 16 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [1,0,0,0,0,0|1,0,2]=4 26 B14R2.2151 Cc1cccn2c1nc(c2O)C=O 271570a_203496583355_100010114541 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)O 271570a_203496583355_100000756257 [0,1,0,0,0,0|1,0,1]=3 28 B14R2.8620 O=C1Nc2c(ccc(c2C1=O)F)O 271570a_203496583355_100000716705 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.8737 O=C1Nc2c(ccc(c2F)O)C1=O 271570a_203496583355_100011000547 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)O 271570a_203496583355_100000216493 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)O 271570a_203496583355_100000738869 [0,1,0,0,0,0|1,0,1]=3 32 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)F)O 271570a_203496583355_100000182523 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)O)F 271570a_203496583355_200000754225 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.11645 C=Cc1cccc2c1NC(=O)C2=O 271570a_100011290941_100000183292 [0,1,0,0,0,0|1,0,2]=4 35 B14R2.11645 CSc1cccc2c1NC(=O)C2=O 62a_100000183292_200000210301 [0,1,0,0,0,0|1,0,1]=3 36 B14R2.11645 [13CH3]Sc1cccc2c1NC(=O)C2=O 62a_100000183292_200025704644 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,0,1,0,0,0|2,0,0]=3 38 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,0,1,0,0,0|2,0,0]=3 45 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,0,1,0,0,0|2,0,0]=3 46 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,0,1,0,0,0|2,0,0]=3 47 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,0,1,0,0,0|2,0,0]=3 59 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,1,0,0,0|2,0,0]=3 66 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,1,0,0,0|2,0,0]=3 67 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,0,1,0,0,0|2,0,0]=3 78 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,0,1,0,0,0|2,0,0]=3 79 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,0,1,0,0,0|2,0,0]=3 81 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,0,1,0,0,0|3,0,0]=4 97 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,0,1,0,0,0|2,0,0]=3 99 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,0,1,0,0,0|2,0,0]=3 100 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,0,1,0,0,0|2,0,0]=3 101 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,0,1,0,0,0|3,0,0]=4 112 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,0,1,0,0,0|2,0,0]=3 120 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,0,1,0,0,0|1,0,0]=2 121 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,0,1,0,0,0|2,0,0]=3 122 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,0,1,0,0,0|2,0,0]=3 123 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,0,1,0,0,0|2,0,0]=3 124 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,0,1,0,0,0|2,0,0]=3 125 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,1,0,0,0|1,0,0]=2 129 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,1,0,0,0|1,0,0]=2 130 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,0,1,0,0,0|2,0,1]=4 131 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,1,0,0,0|2,0,0]=3 141 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,1,0,0,0|2,0,0]=3 142 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,1,0,0,0|2,0,0]=3 143 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,1,0,0,0|2,0,0]=3 144 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,1,0,0,0|2,0,0]=3 145 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,1,0,0,0|2,0,0]=3 146 B12R1.1112 CC=Cc1c(cccc1CO)C 271570a_100016259895_100011659289 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.1112 CCNc1c(cccc1CO)C 34a_100011215590_100000210202 [0,0,1,0,0,0|2,0,1]=4 148 B12R1.1112 Cc1cccc(c1NCF)CO 34a_100011215590_100015361967 [0,0,1,0,0,0|2,0,1]=4 149 B14R2.8045 Cc1cc(c2cccc(c2n1)C)O 271570a_203496583355_100000757406 [0,0,0,0,0,1|2,0,1]=4 150 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,0,0,0,0,1|2,0,1]=4 151 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,0,0,0,0,1|2,0,1]=4 152 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,0,0,0,0,1|2,0,0]=3 153 B11R1.13 CC=Cc1cccc(c1N)C 271570a_100016259895_100011834072 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,0,1,0,0,0|2,0,0]=4 156 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,1,0,0,0|1,0,0]=3 167 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,1,0,0,0|1,0,0]=3 168 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,1,0,0,0|1,0,0]=3 169 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,1,0,0,0|1,0,0]=3 170 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,1,0,0,0|2,0,0]=4 171 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,1,0,0,0|2,0,0]=4 180 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,1,0,0,0|1,0,0]=3 188 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 190 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 193 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 194 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,1,0,0,0|1,0,0]=3 196 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,1,0,0,0|2,0,0]=4 197 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,0]=3 198 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,0]=3 199 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,0,1,0,0,0|2,0,0]=4 201 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,1,0,0,0|2,0,0]=4 203 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,1,0,0,0|1,0,0]=3 204 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,1,0,0,0|1,0,0]=3 205 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,1,0,0,0|1,0,0]=3 206 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,1,0,0,0|1,0,0]=3 207 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,1,0,0,0|2,0,0]=4 217 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|1,0,0]=3 223 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.265 C=Cc1c(cccc1CO)C 271570a_100011290941_100011659289 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [1,0,1,0,0,0|2,0,0]=4 229 B11R1.265 CNc1c(cccc1CO)C 34a_100011215590_200000210301 [1,0,1,0,0,0|1,0,1]=4 230 B11R1.265 CSc1cccc(c1C=O)C 62a_100000041122_200000210301 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.265 CSc1cccc(c1C=O)C 62a_200000210301_100000041122 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_100000041122_200025704644 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_200025704644_100000041122 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.265 Cc1cccc(c1N[13CH3])CO 34a_100011215590_200025704644 [1,0,1,0,0,0|1,0,1]=4 235 B11R1.605 CC=Cc1c(cccc1N)C 271570a_100016259895_100000684715 [1,0,1,0,0,0|2,0,0]=4 236 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.605 CCNc1c(cccc1O)C 34a_100000743429_100000210202 [1,0,1,0,0,0|1,0,1]=4 238 B11R1.605 Cc1cccc(c1NCF)O 34a_100000743429_100015361967 [1,0,1,0,0,0|1,0,1]=4 239 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [2,0,0,0,0,0|2,0,0]=4 240 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [2,0,0,0,0,0|2,0,0]=4 241 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [2,0,0,0,0,0|2,0,0]=4 242 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [2,0,0,0,0,0|2,0,0]=4 243 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [2,0,0,0,0,0|2,0,0]=4 244 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [2,0,0,0,0,0|2,0,0]=4 245 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [2,0,0,0,0,0|2,0,0]=4 246 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [2,0,0,0,0,0|1,0,1]=4 247 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [2,0,0,0,0,0|0,0,2]=4 248 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [2,0,0,0,0,0|2,0,0]=4 249 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [2,0,0,0,0,0|2,0,0]=4 250 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [2,0,0,0,0,0|1,0,1]=4 251 B13R1.22 C=CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000185746 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.22 C=CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000185746 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 11a_100000219674_100000210414 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000210414 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000210414 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,1,1,0,0,0|1,0,0]=3 258 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_100000219648_100102657272 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_106832991638_100000219648 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_100000219674_100102657272 [0,1,1,0,0,0|1,0,0]=3 263 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_106832991638_100000219674 [0,1,1,0,0,0|1,0,0]=3 264 B13R1.22 CNC(=O)N(C)c1cccc(c1)Cl 512a_100000220044_100102657272 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.22 CNC(=O)N(C)c1cccc(c1)F 512a_100020633736_100102657272 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_100000221217_100102657272 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_106832991638_100000221217 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.22 Cc1cccc(c1)C(O)C(=O)CF 1458a_100011434945_100015361967 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.22 Cc1cccc(c1)N(C)C(=O)CO 22a_100000219674_100000210174 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 11a_100102888905_100015343762 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 1626a_100102888905_100015343762 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 22a_100102888905_100000070787 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 527a_100102888905_100103153847 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 11a_114849113799_100015343762 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 1626a_114849113799_100015343762 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 22a_114849113799_100000070787 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 11a_100011756966_100015343762 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 1626a_100011756966_100015343762 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 22a_100011756966_100000070787 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 527a_100011756966_100103153847 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.642 CC(=O)N(C)c1cccc(c1)N[13CH3] 34a_100000765750_200025704644 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.642 CNc1cccc(c1)N(C)C(=O)C 34a_100000765750_200000210301 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.642 COc1cccc(c1)N(C)C(=O)C 11a_100000219725_100015343762 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.642 COc1cccc(c1)N(C)C(=O)C 1626a_100000219725_100015343762 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.642 COc1cccc(c1)N(C)C(=O)C 22a_100000219725_100000070787 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.642 COc1cccc(c1)N(C)C(=O)C 527a_100000219725_100103153847 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 11a_100020672454_100015343762 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 22a_100020672454_100000070787 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 527a_100020672454_100103153847 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 11a_100000182157_100015343762 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 1626a_100000182157_100015343762 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 22a_100000182157_100000070787 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.897 CC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_200000210301 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.897 Cc1ccc(c(c1)C(O)C(=O)[13CH3])C 1458a_100011497465_200025704644 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 11a_103496528823_100015343762 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 1626a_103496528823_100015343762 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 22a_103496528823_100000070787 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.40 C=CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000185746 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.40 C=CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000185746 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000185746 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000185746 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.40 C=CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000185746 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.40 C=CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000185746 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.40 C=CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000185746 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.40 C=CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000185746 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.40 C=CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000185746 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.40 C=CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000185746 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.40 C=CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000185746 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 11a_100000750434_100000210414 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000210414 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000210414 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 527a_100000750434_100000210414 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.40 CCC(=O)Nc1cccc(c1C)C 11a_100000210026_100000210414 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.40 CCC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000210414 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.40 CCC(=O)Nc1cccc(c1C)C 22a_100000210026_100000210414 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.40 CCC(=O)Nc1cccc(c1C)C 527a_100000210026_100000210414 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100000210414 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000210414 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000210414 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100000210414 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.40 CCC(=O)Nc1cccc(c1C)F 11a_100000745574_100000210414 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.40 CCC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000210414 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.40 CCC(=O)Nc1cccc(c1C)F 22a_100000745574_100000210414 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.40 CCC(=O)Nc1cccc(c1C)F 527a_100000745574_100000210414 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.40 CCC(=O)Nc1cccc(c1C)I 11a_100000761887_100000210414 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.40 CCC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000210414 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.40 CCC(=O)Nc1cccc(c1C)I 22a_100000761887_100000210414 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.40 CCC(=O)Nc1cccc(c1C)I 527a_100000761887_100000210414 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.40 CCC(=O)Nc1cccc(c1C)O 11a_100011216573_100000210414 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.40 CCC(=O)Nc1cccc(c1C)O 22a_100011216573_100000210414 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.40 CCC(=O)Nc1cccc(c1C)O 527a_100011216573_100000210414 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,1,1,0,0,0|1,0,0]=3 350 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,1,1,0,0,0|1,0,0]=3 351 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,1,1,0,0,0|1,0,0]=3 352 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,1,1,0,0,0|1,0,0]=3 353 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,1,1,0,0,0|1,0,0]=3 354 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,1,1,0,0,0|1,0,0]=3 355 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.40 Cc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100000694682 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.40 Cc1c(cccc1CC(=O)CO)Cl 1458a_100000210174_100012186920 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.40 Cc1c(cccc1CC(=O)CO)F 1458a_100000210174_100009813626 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.40 Cc1c(cccc1CC(=O)CO)I 1458a_100000210174_100010150147 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 22a_100000750434_100000210174 [0,1,1,0,0,0|1,0,0]=3 382 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 527a_100000750434_100000210174 [0,1,1,0,0,0|1,0,0]=3 383 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 22a_100000210441_100000210174 [0,1,1,0,0,0|1,0,0]=3 384 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 527a_100000210441_100000210174 [0,1,1,0,0,0|1,0,0]=3 385 B13R1.40 Cc1c(cccc1NC(=O)CO)F 22a_100000745574_100000210174 [0,1,1,0,0,0|1,0,0]=3 386 B13R1.40 Cc1c(cccc1NC(=O)CO)F 527a_100000745574_100000210174 [0,1,1,0,0,0|1,0,0]=3 387 B13R1.40 Cc1c(cccc1NC(=O)CO)I 22a_100000761887_100000210174 [0,1,1,0,0,0|1,0,0]=3 388 B13R1.40 Cc1c(cccc1NC(=O)CO)I 527a_100000761887_100000210174 [0,1,1,0,0,0|1,0,0]=3 389 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,1,1,0,0,0|1,0,0]=3 390 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,1,1,0,0,0|1,0,0]=3 391 B13R1.40 Cc1cccc(c1Br)NC(=O)CO 22a_100000684715_100000210174 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,1,1,0,0,0|1,0,0]=3 394 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,1,1,0,0,0|1,0,0]=3 395 B13R1.40 Cc1cccc(c1Cl)NC(=O)CO 22a_100000765562_100000210174 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.40 Cc1cccc(c1F)NC(=O)CO 527a_100000697159_100000210174 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.40 O=C(CO)Nc1cccc(c1Cl)Br 527a_100000687075_100000210174 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.40 O=C(CO)Nc1cccc(c1Cl)F 22a_100000692321_100000210174 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 22a_100011935091_100000210174 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 527a_100011935091_100000210174 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.40 O=C(CO)Nc1cccc(c1F)Cl 22a_100000199060_100000210174 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.40 O=C(CO)Nc1cccc(c1F)F 22a_100000743855_100000210174 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.91 C#Cc1ccccc1NC(=O)CO 22a_100011470550_100000210174 [0,1,1,0,0,0|1,0,1]=4 416 B13R1.91 C#Cc1ccccc1NC(=O)NC 2430a_100011470550_100102657272 [0,1,1,0,0,0|1,0,1]=4 417 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.91 C=CC(=O)Nc1ccccc1CO 22a_100000212039_100000185746 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.91 C=CC(=O)Nc1ccccc1SC 22a_100000211160_100000185746 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|1,0,1]=4 424 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,1,1,0,0,0|1,0,1]=4 425 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.91 CCC(=O)Nc1ccccc1SC 11a_100000211160_100000210414 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.91 CCC(=O)Nc1ccccc1SC 22a_100000211160_100000210414 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.91 CCC(=O)Nc1ccccc1SC 62a_200000210301_100000153536 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.91 CCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153536 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,1,0,0,0|1,0,0]=3 439 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,1,0,0,0|1,0,0]=3 440 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,1,1,0,0,0|1,0,0]=3 441 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.91 CNC(=O)Nc1ccccc1C#N 2430a_100000211148_100102657272 [0,1,1,0,0,0|1,0,1]=4 454 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,1,1,0,0,0|1,0,0]=3 455 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,1,1,0,0,0|1,0,0]=3 456 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,1,1,0,0,0|1,0,0]=3 457 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,1,1,0,0,0|1,0,0]=3 463 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,1,1,0,0,0|1,0,0]=3 464 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200000210301_200010210069 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200010210069_200000210301 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.91 CSc1ccccc1NC(=O)CN 62a_200000210301_100000683505 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,1,1,0,0,0|1,0,0]=3 469 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,1,1,0,0,0|1,0,0]=3 471 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200010210069_200025704644 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200025704644_200010210069 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.91 [13CH3]Sc1ccccc1NC(=O)CN 62a_200025704644_100000683505 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,1,0,0,0|1,0,1]=4 488 B13R1.202 CN(C)C(=O)Nc1ccccc1Br 2430a_100000210017_100102631434 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.202 CN(C)C(=O)Nc1ccccc1Cl 2430a_100000185783_100102631434 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.202 CN(C)C(=O)Nc1ccccc1F 2430a_100000210422_100102631434 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.202 CN(C)C(=O)Nc1ccccc1I 2430a_100000210053_100102631434 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.202 CN(C)C(=O)Nc1ccccc1O 2430a_100000185747_100102631434 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,1,1,0,0,0|2,0,0]=4 504 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,1,0,0,0|1,0,1]=4 511 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,1,0,0,0|1,0,1]=4 512 B13R1.202 Cc1ccccc1NC(=O)C(C)C 11a_100015192222_100000210198 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.202 Cc1ccccc1NC(=O)C(C)C 1626a_100015192222_100000210198 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.202 Cc1ccccc1NC(=O)C(C)C 22a_100015192222_100000210198 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.202 Cc1ccccc1NC(=O)C(C)C 527a_100015192222_100000210198 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.202 Cc1ccccc1NC(=O)C(C)F 11a_100015192222_100000062450 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.202 Cc1ccccc1NC(=O)C(C)F 1626a_100015192222_100000062450 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.202 Cc1ccccc1NC(=O)C(C)F 22a_100015192222_100000062450 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.202 Cc1ccccc1NC(=O)C(C)F 527a_100015192222_100000062450 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.202 Cc1ccccc1NC(=O)C(F)F 11a_100015192222_100000210393 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.202 Cc1ccccc1NC(=O)C(F)F 1626a_100015192222_100000210393 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.202 Cc1ccccc1NC(=O)C(F)F 22a_100015192222_100000210393 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.202 Cc1ccccc1NC(=O)C(F)F 527a_100015192222_100000210393 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.202 Cc1ccccc1NC(=O)C(O)O 22a_100015192222_100000233687 [0,1,1,0,0,0|1,0,0]=3 525 B13R1.202 Cc1ccccc1NC(=O)N(C)C 2430a_100015192222_100102631434 [0,1,1,0,0,0|1,0,0]=3 526 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,1,1,0,0,0|1,0,0]=3 527 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,1,1,0,0,0|1,0,0]=3 528 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,1,1,0,0,0|1,0,0]=3 529 B13R1.202 O=C(Nc1ccccc1Cl)C(O)O 22a_100000185783_100000233687 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.202 O=C(Nc1ccccc1F)C(O)O 22a_100000210422_100000233687 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.470 C#CCC(=O)Nc1ccccc1C 1626a_100015192222_100011220946 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.470 C#CCC(=O)Nc1ccccc1C 527a_100015192222_100011220946 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.470 C=CCC(=O)Nc1ccccc1C 11a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.470 C=CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.470 C=CCC(=O)Nc1ccccc1C 22a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.470 C=CCC(=O)Nc1ccccc1C 527a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.470 CC#CC(=O)Nc1ccccc1C 22a_100015192222_100000763181 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.470 CCCC(=O)Nc1ccccc1C 11a_100015192222_100000211992 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.470 CCCC(=O)Nc1ccccc1C 1626a_100015192222_100000211992 [0,1,1,0,0,0|2,0,0]=4 544 B13R1.470 CCCC(=O)Nc1ccccc1C 22a_100015192222_100000211992 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.470 CCCC(=O)Nc1ccccc1C 527a_100015192222_100000211992 [0,1,1,0,0,0|2,0,0]=4 546 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,1,1,0,0,0|2,0,0]=4 547 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,1,1,0,0,0|2,0,0]=4 548 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,1,1,0,0,0|2,0,0]=4 549 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,1,1,0,0,0|2,0,0]=4 550 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,1,1,0,0,0|1,0,0]=3 551 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,1,1,0,0,0|2,0,0]=4 552 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,1,1,0,0,0|2,0,0]=4 553 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,1,1,0,0,0|2,0,0]=4 554 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,1,1,0,0,0|2,0,0]=4 555 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,1,1,0,0,0|2,0,0]=4 556 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,1,1,0,0,0|2,0,0]=4 557 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,1,1,0,0,0|2,0,0]=4 560 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,1,1,0,0,0|1,0,0]=3 561 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,1,1,0,0,0|1,0,0]=3 562 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,1,1,0,0,0|1,0,0]=3 563 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,1,1,0,0,0|1,0,0]=3 564 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,1,1,0,0,0|2,0,0]=4 565 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,1,1,0,0,0|2,0,0]=4 566 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,1,1,0,0,0|2,0,0]=4 567 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,1,1,0,0,0|2,0,0]=4 568 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,1,1,0,0,0|2,0,0]=4 569 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,1,1,0,0,0|2,0,0]=4 570 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,1,1,0,0,0|2,0,0]=4 571 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,1,1,0,0,0|2,0,0]=4 572 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,1,1,0,0,0|2,0,0]=4 573 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,1,1,0,0,0|2,0,0]=4 574 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,1,1,0,0,0|2,0,0]=4 575 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,1,1,0,0,0|2,0,0]=4 576 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,1,1,0,0,0|2,0,0]=4 577 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,1,1,0,0,0|2,0,0]=4 578 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,1,1,0,0,0|1,0,0]=3 579 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,1,1,0,0,0|1,0,0]=3 580 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,1,1,0,0,0|1,0,0]=3 581 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,1,1,0,0,0|1,0,0]=3 582 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,1,1,0,0,0|1,0,0]=3 583 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,1,1,0,0,0|2,0,0]=4 584 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,1,1,0,0,0|2,0,0]=4 585 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,1,1,0,0,0|2,0,0]=4 589 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,1,1,0,0,0|2,0,0]=4 590 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,1,1,0,0,0|2,0,0]=4 591 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,1,1,0,0,0|2,0,0]=4 592 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,1,1,0,0,0|2,0,0]=4 593 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,1,1,0,0,0|2,0,0]=4 594 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,1,1,0,0,0|2,0,0]=4 595 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,1,1,0,0,0|2,0,0]=4 596 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,1,1,0,0,0|2,0,0]=4 597 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,1,1,0,0,0|2,0,0]=4 598 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,1,1,0,0,0|2,0,0]=4 599 B13R1.470 CSCC(=O)Nc1ccccc1C 11a_100015192222_100000184570 [0,1,1,0,0,0|1,1,0]=4 600 B13R1.470 CSCC(=O)Nc1ccccc1C 1626a_100015192222_100000184570 [0,1,1,0,0,0|1,1,0]=4 601 B13R1.470 CSCC(=O)Nc1ccccc1C 22a_100015192222_100000184570 [0,1,1,0,0,0|1,1,0]=4 602 B13R1.470 CSCC(=O)Nc1ccccc1C 527a_100015192222_100000184570 [0,1,1,0,0,0|1,1,0]=4 603 B13R1.470 CSCC(=O)Nc1ccccc1C 62a_200000210301_100000183529 [0,1,1,0,0,0|1,1,0]=4 604 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,1,1,0,0,0|2,0,0]=4 605 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,1,1,0,0,0|2,0,0]=4 606 B13R1.470 Cc1ccccc1NC(=O)C=CBr 1626a_100015192222_100016273825 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.470 Cc1ccccc1NC(=O)C=CCl 11a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.470 Cc1ccccc1NC(=O)C=CCl 1626a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.470 Cc1ccccc1NC(=O)C=CI 1626a_100015192222_100016256311 [0,1,1,0,0,0|2,0,0]=4 610 B13R1.470 Cc1ccccc1NC(=O)CC#N 1626a_100015192222_100051588842 [0,1,1,0,0,0|2,0,0]=4 611 B13R1.470 Cc1ccccc1NC(=O)CC#N 22a_100015192222_100051588842 [0,1,1,0,0,0|2,0,0]=4 612 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,1,1,0,0,0|1,0,0]=3 613 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,1,1,0,0,0|1,0,0]=3 614 B13R1.470 Cc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000183529 [0,1,1,0,0,0|1,1,0]=4 615 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,1,1,0,0,0|2,0,0]=4 616 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,1,1,0,0,0|2,0,0]=4 617 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.696 C=CC(=O)N(C)c1ccccc1C 1626a_100000219699_100000185746 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.696 C=CC(=O)N(C)c1ccccc1C 22a_100000219699_100000185746 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.696 CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210414 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.696 CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210414 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.696 CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210414 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,1,1,0,0,0|1,0,0]=3 629 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,1,1,0,0,0|1,0,0]=3 631 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000185746 [0,1,1,0,0,0|2,0,0]=4 632 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000185746 [0,1,1,0,0,0|2,0,0]=4 633 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000185746 [0,1,1,0,0,0|2,0,0]=4 634 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000185746 [0,1,1,0,0,0|2,0,0]=4 635 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000185746 [0,1,1,0,0,0|2,0,0]=4 636 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000185746 [0,1,1,0,0,0|2,0,0]=4 637 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000185746 [0,1,1,0,0,0|2,0,0]=4 638 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000185746 [0,1,1,0,0,0|2,0,0]=4 639 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000185746 [0,1,1,0,0,0|2,0,0]=4 640 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000185746 [0,1,1,0,0,0|2,0,0]=4 641 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000185746 [0,1,1,0,0,0|2,0,0]=4 642 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100000210414 [0,1,1,0,0,0|2,0,0]=4 643 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000210414 [0,1,1,0,0,0|2,0,0]=4 644 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000210414 [0,1,1,0,0,0|2,0,0]=4 645 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 11a_100000736561_100000210414 [0,1,1,0,0,0|2,0,0]=4 646 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000210414 [0,1,1,0,0,0|2,0,0]=4 647 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000210414 [0,1,1,0,0,0|2,0,0]=4 648 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 527a_100000736561_100000210414 [0,1,1,0,0,0|2,0,0]=4 649 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100000210414 [0,1,1,0,0,0|2,0,0]=4 650 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000210414 [0,1,1,0,0,0|2,0,0]=4 651 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000210414 [0,1,1,0,0,0|2,0,0]=4 652 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 11a_100000211637_100000210414 [0,1,1,0,0,0|2,0,0]=4 653 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000210414 [0,1,1,0,0,0|2,0,0]=4 654 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000210414 [0,1,1,0,0,0|2,0,0]=4 655 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 527a_100000211637_100000210414 [0,1,1,0,0,0|2,0,0]=4 656 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 11a_100000184554_100000210414 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000210414 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000210414 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000210414 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 527a_100000756630_100000210414 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,1,1,0,0,0|2,0,0]=4 663 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,1,1,0,0,0|2,0,0]=4 664 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,1,1,0,0,0|2,0,0]=4 665 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,1,1,0,0,0|2,0,0]=4 666 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,1,1,0,0,0|2,0,0]=4 667 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,1,1,0,0,0|2,0,0]=4 668 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,1,1,0,0,0|2,0,0]=4 669 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,1,1,0,0,0|2,0,0]=4 670 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,1,1,0,0,0|2,0,0]=4 671 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,1,1,0,0,0|2,0,0]=4 672 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,1,1,0,0,0|2,0,0]=4 673 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Br 2430a_100000211012_100102657272 [0,1,1,0,0,0|2,0,0]=4 674 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)C 2430a_100000210942_100102657272 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Cl 2430a_100000752454_100102657272 [0,1,1,0,0,0|2,0,0]=4 676 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)F 2430a_100000738039_100102657272 [0,1,1,0,0,0|2,0,0]=4 677 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)I 2430a_100000750455_100102657272 [0,1,1,0,0,0|2,0,0]=4 678 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)O 2430a_100012001276_100102657272 [0,1,1,0,0,0|2,0,0]=4 679 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Br 2430a_100000211769_100102657272 [0,1,1,0,0,0|1,0,0]=3 680 B13R1.2679 CNC(=O)Nc1ccc(cc1C)C 2430a_100000736561_100102657272 [0,1,1,0,0,0|1,0,0]=3 681 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Cl 2430a_100000210418_100102657272 [0,1,1,0,0,0|1,0,0]=3 682 B13R1.2679 CNC(=O)Nc1ccc(cc1C)F 2430a_100000211637_100102657272 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.2679 CNC(=O)Nc1ccc(cc1C)I 2430a_100000184554_100102657272 [0,1,1,0,0,0|1,0,0]=3 684 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,1,1,0,0,0|1,0,0]=3 685 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100102657272 [0,1,1,0,0,0|2,0,0]=4 686 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100102657272 [0,1,1,0,0,0|2,0,0]=4 687 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100102657272 [0,1,1,0,0,0|2,0,0]=4 688 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100102657272 [0,1,1,0,0,0|2,0,0]=4 689 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100102657272 [0,1,1,0,0,0|2,0,0]=4 690 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,1,1,0,0,0|2,0,0]=4 691 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Br 2430a_100000210722_100102657272 [0,1,1,0,0,0|2,0,0]=4 692 B13R1.2679 CNC(=O)Nc1ccc(cc1F)C 2430a_100000211023_100102657272 [0,1,1,0,0,0|2,0,0]=4 693 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Cl 2430a_100000211020_100102657272 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.2679 CNC(=O)Nc1ccc(cc1F)F 2430a_100000210720_100102657272 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.2679 CNC(=O)Nc1ccc(cc1F)I 2430a_100011215594_100102657272 [0,1,1,0,0,0|2,0,0]=4 696 B13R1.2679 CNC(=O)Nc1ccc(cc1F)O 2430a_100000759473_100102657272 [0,1,1,0,0,0|2,0,0]=4 697 B13R1.2679 CNC(=O)Nc1ccc(cc1I)C 2430a_100011356834_100102657272 [0,1,1,0,0,0|2,0,0]=4 698 B13R1.2679 CNC(=O)Nc1ccc(cc1I)Cl 2430a_100000761889_100102657272 [0,1,1,0,0,0|2,0,0]=4 699 B13R1.2679 CNC(=O)Nc1ccc(cc1I)F 2430a_100000760547_100102657272 [0,1,1,0,0,0|2,0,0]=4 700 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 2430a_100010002754_100102657272 [0,1,1,0,0,0|2,0,0]=4 701 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 512a_100010002754_100102657272 [0,1,1,0,0,0|2,0,0]=4 702 B13R1.2679 CNC(=O)Nc1ccc(cc1I)O 2430a_100010084370_100102657272 [0,1,1,0,0,0|2,0,0]=4 703 B13R1.2679 CNC(=O)Nc1ccc(cc1O)C 2430a_100000211527_100102657272 [0,1,1,0,0,0|2,0,0]=4 704 B13R1.2679 CNC(=O)Nc1ccc(cc1O)Cl 2430a_100000185728_100102657272 [0,1,1,0,0,0|2,0,0]=4 705 B13R1.2679 CNC(=O)Nc1ccc(cc1O)F 2430a_100000753323_100102657272 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.2679 CNC(=O)Nc1ccc(cc1O)I 2430a_100000057187_100102657272 [0,1,1,0,0,0|2,0,0]=4 707 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,1,1,0,0,0|2,0,0]=4 708 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,1,1,0,0,0|2,0,0]=4 709 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,1,1,0,0,0|2,0,0]=4 711 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,1,1,0,0,0|1,0,0]=3 712 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,1,1,0,0,0|1,0,0]=3 713 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,1,1,0,0,0|1,0,0]=3 714 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,1,1,0,0,0|1,0,0]=3 715 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,1,1,0,0,0|1,0,0]=3 716 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,1,1,0,0,0|1,0,0]=3 717 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,1,1,0,0,0|1,0,0]=3 718 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,1,1,0,0,0|2,0,0]=4 719 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,1,1,0,0,0|1,0,0]=3 720 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,1,1,0,0,0|1,0,0]=3 721 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,1,1,0,0,0|2,0,0]=4 722 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,1,1,0,0,0|2,0,0]=4 723 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,1,1,0,0,0|2,0,0]=4 724 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,1,1,0,0,0|2,0,0]=4 725 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,1,1,0,0,0|2,0,0]=4 727 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,1,1,0,0,0|2,0,0]=4 728 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,1,1,0,0,0|2,0,0]=4 731 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,1,1,0,0,0|2,0,0]=4 733 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,1,1,0,0,0|2,0,0]=4 734 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,1,1,0,0,0|2,0,0]=4 735 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,1,1,0,0,0|2,0,0]=4 736 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,1,1,0,0,0|2,0,0]=4 737 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,1,1,0,0,0|2,0,0]=4 738 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,1,1,0,0,0|2,0,0]=4 739 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,1,1,0,0,0|2,0,0]=4 740 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,1,1,0,0,0|2,0,0]=4 741 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,1,1,0,0,0|2,0,0]=4 742 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,1,1,0,0,0|2,0,0]=4 743 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,1,1,0,0,0|2,0,0]=4 744 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,1,1,0,0,0|2,0,0]=4 748 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,1,1,0,0,0|2,0,0]=4 749 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,1,1,0,0,0|2,0,0]=4 750 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,1,1,0,0,0|2,0,0]=4 751 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,1,1,0,0,0|2,0,0]=4 752 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000185746 [0,1,1,0,0,0|2,0,0]=4 753 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000185746 [0,1,1,0,0,0|2,0,0]=4 754 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000185746 [0,1,1,0,0,0|2,0,0]=4 755 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000185746 [0,1,1,0,0,0|2,0,0]=4 756 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000185746 [0,1,1,0,0,0|2,0,0]=4 757 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000185746 [0,1,1,0,0,0|2,0,0]=4 758 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000185746 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000185746 [0,1,1,0,0,0|2,0,0]=4 760 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000185746 [0,1,1,0,0,0|2,0,0]=4 761 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000185746 [0,1,1,0,0,0|2,0,0]=4 762 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000185746 [0,1,1,0,0,0|2,0,0]=4 763 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100000210414 [0,1,1,0,0,0|2,0,0]=4 764 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000210414 [0,1,1,0,0,0|2,0,0]=4 765 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000210414 [0,1,1,0,0,0|2,0,0]=4 766 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100000210414 [0,1,1,0,0,0|2,0,0]=4 767 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 11a_100000185781_100000210414 [0,1,1,0,0,0|2,0,0]=4 768 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000210414 [0,1,1,0,0,0|2,0,0]=4 769 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000210414 [0,1,1,0,0,0|2,0,0]=4 770 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100000210414 [0,1,1,0,0,0|2,0,0]=4 771 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000210414 [0,1,1,0,0,0|2,0,0]=4 772 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000210414 [0,1,1,0,0,0|2,0,0]=4 773 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100000210414 [0,1,1,0,0,0|2,0,0]=4 774 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 11a_100000211107_100000210414 [0,1,1,0,0,0|2,0,0]=4 775 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000210414 [0,1,1,0,0,0|2,0,0]=4 776 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000210414 [0,1,1,0,0,0|2,0,0]=4 777 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 11a_100000761890_100000210414 [0,1,1,0,0,0|2,0,0]=4 778 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000210414 [0,1,1,0,0,0|2,0,0]=4 779 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000210414 [0,1,1,0,0,0|2,0,0]=4 780 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 527a_100000761890_100000210414 [0,1,1,0,0,0|2,0,0]=4 781 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210414 [0,1,1,0,0,0|2,0,0]=4 782 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210414 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,1,1,0,0,0|2,0,0]=4 785 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,1,1,0,0,0|2,0,0]=4 786 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,1,1,0,0,0|2,0,0]=4 787 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,1,1,0,0,0|2,0,0]=4 790 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,1,1,0,0,0|2,0,0]=4 791 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,1,1,0,0,0|2,0,0]=4 792 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,1,1,0,0,0|2,0,0]=4 794 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,1,1,0,0,0|2,0,0]=4 795 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)Br 2430a_100000737762_100102657272 [0,1,1,0,0,0|2,0,0]=4 796 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [0,1,1,0,0,0|2,0,0]=4 797 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)F 2430a_100000687223_100102657272 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 2430a_100000750456_100102657272 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 512a_100000750456_100102657272 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,1,1,0,0,0|2,0,0]=4 801 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 2430a_100000741167_100102657272 [0,1,1,0,0,0|1,0,0]=3 802 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 512a_100000741167_100102657272 [0,1,1,0,0,0|1,0,0]=3 803 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [0,1,1,0,0,0|1,0,0]=3 804 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl 2430a_100000211374_100102657272 [0,1,1,0,0,0|1,0,0]=3 805 B13R1.2872 CNC(=O)Nc1cc(ccc1C)F 2430a_100000211107_100102657272 [0,1,1,0,0,0|1,0,0]=3 806 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 2430a_100000761890_100102657272 [0,1,1,0,0,0|1,0,0]=3 807 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 512a_100000761890_100102657272 [0,1,1,0,0,0|1,0,0]=3 808 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,1,1,0,0,0|1,0,0]=3 809 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,1,1,0,0,0|2,0,0]=4 811 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,1,1,0,0,0|2,0,0]=4 812 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,1,1,0,0,0|2,0,0]=4 814 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 2430a_100000740924_100102657272 [0,1,1,0,0,0|2,0,0]=4 815 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 512a_100000740924_100102657272 [0,1,1,0,0,0|2,0,0]=4 816 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [0,1,1,0,0,0|2,0,0]=4 817 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Cl 2430a_100000212115_100102657272 [0,1,1,0,0,0|2,0,0]=4 818 B13R1.2872 CNC(=O)Nc1cc(ccc1F)F 2430a_100000210742_100102657272 [0,1,1,0,0,0|2,0,0]=4 819 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 2430a_100011464823_100102657272 [0,1,1,0,0,0|2,0,0]=4 820 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 512a_100011464823_100102657272 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,1,1,0,0,0|2,0,0]=4 822 B13R1.2872 CNC(=O)Nc1cc(ccc1I)Br 512a_100000743836_100102657272 [0,1,1,0,0,0|2,0,0]=4 823 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [0,1,1,0,0,0|2,0,0]=4 824 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 2430a_100011218093_100102657272 [0,1,1,0,0,0|2,0,0]=4 825 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 512a_100011218093_100102657272 [0,1,1,0,0,0|2,0,0]=4 826 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,1,1,0,0,0|2,0,0]=4 827 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,1,1,0,0,0|2,0,0]=4 828 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,1,1,0,0,0|2,0,0]=4 829 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,1,1,0,0,0|2,0,0]=4 830 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,1,1,0,0,0|2,0,0]=4 831 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,1,1,0,0,0|2,0,0]=4 832 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,1,1,0,0,0|1,0,0]=3 833 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,1,1,0,0,0|2,0,0]=4 834 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,1,1,0,0,0|2,0,0]=4 835 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,1,1,0,0,0|2,0,0]=4 836 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,1,0,0,0|2,0,0]=4 837 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,1,0,0,0|2,0,0]=4 838 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,1,1,0,0,0|2,0,0]=4 839 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,1,1,0,0,0|2,0,0]=4 840 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,1,1,0,0,0|1,0,0]=3 841 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,1,1,0,0,0|1,0,0]=3 842 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,1,1,0,0,0|1,0,0]=3 843 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,1,1,0,0,0|1,0,0]=3 844 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,1,1,0,0,0|1,0,0]=3 845 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,1,1,0,0,0|1,0,0]=3 846 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,1,1,0,0,0|1,0,0]=3 847 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,1,1,0,0,0|1,0,0]=3 848 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,1,1,0,0,0|1,0,0]=3 849 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,1,1,0,0,0|2,0,0]=4 850 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,1,1,0,0,0|2,0,0]=4 851 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,1,1,0,0,0|2,0,0]=4 852 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,1,1,0,0,0|2,0,0]=4 853 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,1,1,0,0,0|2,0,0]=4 854 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,1,1,0,0,0|2,0,0]=4 855 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,1,1,0,0,0|2,0,0]=4 856 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,1,1,0,0,0|2,0,0]=4 857 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,1,1,0,0,0|2,0,0]=4 858 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,1,1,0,0,0|2,0,0]=4 859 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,1,1,0,0,0|2,0,0]=4 860 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,1,1,0,0,0|2,0,0]=4 861 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,1,1,0,0,0|2,0,0]=4 862 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,1,1,0,0,0|2,0,0]=4 863 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,1,1,0,0,0|2,0,0]=4 864 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,1,1,0,0,0|2,0,0]=4 865 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100000185746 [0,1,1,0,0,0|2,0,0]=4 866 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000185746 [0,1,1,0,0,0|2,0,0]=4 867 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000185746 [0,1,1,0,0,0|2,0,0]=4 868 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000185746 [0,1,1,0,0,0|2,0,0]=4 869 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000185746 [0,1,1,0,0,0|2,0,0]=4 870 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000185746 [0,1,1,0,0,0|2,0,0]=4 871 B13R1.4928 C=CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000185746 [0,1,1,0,0,0|2,0,0]=4 872 B13R1.4928 CCC(=O)Nc1c(cccc1Br)C 11a_100011834072_100000210414 [0,1,1,0,0,0|2,0,0]=4 873 B13R1.4928 CCC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100000210414 [0,1,1,0,0,0|2,0,0]=4 874 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000210414 [0,1,1,0,0,0|2,0,0]=4 875 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000210414 [0,1,1,0,0,0|2,0,0]=4 876 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000210414 [0,1,1,0,0,0|2,0,0]=4 877 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100000210414 [0,1,1,0,0,0|2,0,0]=4 878 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000210414 [0,1,1,0,0,0|2,0,0]=4 879 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 11a_100000766463_100000210414 [0,1,1,0,0,0|2,0,0]=4 880 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000210414 [0,1,1,0,0,0|2,0,0]=4 881 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 22a_100000766463_100000210414 [0,1,1,0,0,0|2,0,0]=4 882 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 22a_100000743429_100000210414 [0,1,1,0,0,0|2,0,0]=4 883 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 527a_100000743429_100000210414 [0,1,1,0,0,0|2,0,0]=4 884 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [0,1,1,0,0,0|2,0,0]=4 885 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [0,1,1,0,0,0|2,0,0]=4 886 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [0,1,1,0,0,0|2,0,0]=4 887 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [0,1,1,0,0,0|2,0,0]=4 888 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [0,1,1,0,0,0|2,0,0]=4 889 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [0,1,1,0,0,0|2,0,0]=4 890 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [0,1,1,0,0,0|2,0,0]=4 891 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [0,1,1,0,0,0|2,0,0]=4 892 B13R1.4928 CNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100102657272 [0,1,1,0,0,0|1,0,0]=3 893 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [0,1,1,0,0,0|2,0,0]=4 894 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100102657272 [0,1,1,0,0,0|1,0,0]=3 895 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 512a_106832991638_100000185769 [0,1,1,0,0,0|1,0,0]=3 896 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [0,1,1,0,0,0|1,0,0]=3 897 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [0,1,1,0,0,0|2,0,0]=4 898 B13R1.4928 CNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100102657272 [0,1,1,0,0,0|1,0,0]=3 899 B13R1.4928 CNC(=O)Nc1c(cccc1F)F 2430a_100000210704_100102657272 [0,1,1,0,0,0|2,0,0]=4 900 B13R1.4928 CNC(=O)Nc1c(cccc1F)O 2430a_100020591140_100102657272 [0,1,1,0,0,0|2,0,0]=4 901 B13R1.4928 CNC(=O)Nc1c(cccc1I)Br 512a_100010146558_100102657272 [0,1,1,0,0,0|2,0,0]=4 902 B13R1.4928 CNC(=O)Nc1c(cccc1I)F 2430a_100000042321_100102657272 [0,1,1,0,0,0|2,0,0]=4 903 B13R1.4928 CNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100102657272 [0,1,1,0,0,0|1,0,0]=3 904 B13R1.4928 Cc1cccc(c1CC(=O)CO)Br 1458a_100000210174_100010146847 [0,1,1,0,0,0|2,0,0]=4 905 B13R1.4928 Cc1cccc(c1CC(=O)CO)C 1458a_100000210174_100000758300 [0,1,1,0,0,0|2,0,0]=4 906 B13R1.4928 Cc1cccc(c1CC(=O)CO)F 1458a_100000210174_100009814554 [0,1,1,0,0,0|2,0,0]=4 907 B13R1.4928 Cc1cccc(c1CC(=O)CO)I 1458a_100000210174_100010150146 [0,1,1,0,0,0|2,0,0]=4 908 B13R1.4928 Cc1cccc(c1NC(=O)CO)C 22a_100000185769_100000210174 [0,1,1,0,0,0|1,0,0]=3 909 B13R1.4928 Cc1cccc(c1NC(=O)CO)F 22a_100000766463_100000210174 [0,1,1,0,0,0|1,0,0]=3 910 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 22a_100000743429_100000210174 [0,1,1,0,0,0|1,0,0]=3 911 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 527a_100000743429_100000210174 [0,1,1,0,0,0|1,0,0]=3 912 B13R1.4928 O=C(CO)Nc1c(cccc1Br)O 527a_100011934926_100000210174 [0,1,1,0,0,0|2,0,0]=4 913 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 22a_100012022510_100000210174 [0,1,1,0,0,0|2,0,0]=4 914 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 527a_100012022510_100000210174 [0,1,1,0,0,0|2,0,0]=4 915 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 22a_100020591140_100000210174 [0,1,1,0,0,0|2,0,0]=4 916 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 527a_100020591140_100000210174 [0,1,1,0,0,0|2,0,0]=4 917 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 22a_200000049512_100000210174 [0,1,1,0,0,0|2,0,0]=4 918 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 527a_200000049512_100000210174 [0,1,1,0,0,0|2,0,0]=4 919 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 22a_100011995820_100000210174 [0,1,1,0,0,0|2,0,0]=4 920 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 527a_100011995820_100000210174 [0,1,1,0,0,0|2,0,0]=4 921 B13R1.1619 C=CCNc1c(cccc1CO)C 34a_100011215590_100015514636 [0,1,1,0,0,0|2,0,0]=4 922 B13R1.1619 CCc1cccc(c1NCC=O)C 2230a_100000210048_200015260668 [0,1,1,0,0,0|2,0,0]=4 923 B13R1.1619 CCc1cccc(c1NCC=O)C 34a_100000210048_200009817547 [0,1,1,0,0,0|2,0,0]=4 924 B13R1.1619 CCc1cccc(c1NCC=O)C 7a_100000210048_200015260668 [0,1,1,0,0,0|2,0,0]=4 925 B13R1.1619 COc1cccc(c1NCC=O)C 2230a_100000758225_200015260668 [0,1,1,0,0,0|2,0,0]=4 926 B13R1.1619 COc1cccc(c1NCC=O)C 34a_100000758225_200009817547 [0,1,1,0,0,0|2,0,0]=4 927 B13R1.1619 Cc1cccc(c1NCC=O)C#N 2230a_100011826843_200015260668 [0,1,1,0,0,0|2,0,0]=4 928 B13R1.1619 Cc1cccc(c1NCC=O)CO 34a_100011215590_200009817547 [0,1,1,0,0,0|1,0,0]=3 929 B13R1.1619 Cc1cccc(c1SCC=O)CO 62a_100011659289_200015260668 [0,1,1,0,0,0|2,0,0]=4 930 B13R1.1619 Cc1cccc(c1SCC=O)CO 62a_200015260668_100011659289 [0,1,1,0,0,0|2,0,0]=4 931 B13R1.1619 O=CCNc1c(cccc1CO)Cl 34a_100012182729_200009817547 [0,1,1,0,0,0|2,0,0]=4 932 B13R1.1619 O=CCNc1c(cccc1CO)F 34a_100000692437_200009817547 [0,1,1,0,0,0|2,0,0]=4 933 B13R1.2135 CC(=O)Nc1c(cccc1C#N)C 11a_100011826843_100015343762 [0,1,1,0,0,0|2,0,0]=4 934 B13R1.2135 CC(=O)Nc1c(cccc1C#N)C 1626a_100011826843_100015343762 [0,1,1,0,0,0|2,0,0]=4 935 B13R1.2135 CC(=O)Nc1c(cccc1CO)C 22a_100011215590_100000070787 [0,1,1,0,0,0|1,0,0]=3 936 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 34a_100000103797_200025704644 [0,1,1,0,0,0|2,0,0]=4 937 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 7a_100000103797_200025704644 [0,1,1,0,0,0|2,0,0]=4 938 B13R1.2135 CCc1cccc(c1NC(=O)C)C 11a_100000210048_100015343762 [0,1,1,0,0,0|2,0,0]=4 939 B13R1.2135 CCc1cccc(c1NC(=O)C)C 1626a_100000210048_100015343762 [0,1,1,0,0,0|2,0,0]=4 940 B13R1.2135 CCc1cccc(c1NC(=O)C)C 22a_100000210048_100000070787 [0,1,1,0,0,0|2,0,0]=4 941 B13R1.2135 COc1cccc(c1NC(=O)C)C 11a_100000758225_100015343762 [0,1,1,0,0,0|2,0,0]=4 942 B13R1.2135 COc1cccc(c1NC(=O)C)C 1626a_100000758225_100015343762 [0,1,1,0,0,0|2,0,0]=4 943 B13R1.2135 COc1cccc(c1NC(=O)C)C 22a_100000758225_100000070787 [0,1,1,0,0,0|2,0,0]=4 944 B13R1.2135 COc1cccc(c1NC(=O)C)C 34a_100000103797_200000210301 [0,1,1,0,0,0|2,0,0]=4 945 B13R1.2135 COc1cccc(c1NC(=O)C)C 7a_100000103797_200000210301 [0,1,1,0,0,0|2,0,0]=4 946 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [1,1,0,0,0,0|2,0,0]=4 947 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [1,1,0,0,0,0|1,1,0]=4 948 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [1,1,0,0,0,0|1,1,0]=4 949 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [1,1,0,0,0,0|2,0,0]=4 950 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [1,1,0,0,0,0|2,0,0]=4 951 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [1,1,0,0,0,0|1,0,0]=3 952 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [1,1,0,0,0,0|1,0,1]=4 953 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [1,1,0,0,0,0|2,0,0]=4 954 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [1,1,0,0,0,0|1,0,0]=3 955 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [1,1,0,0,0,0|1,0,1]=4 956 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [1,1,0,0,0,0|2,0,0]=4 957 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [1,1,0,0,0,0|2,0,0]=4 958 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [1,1,0,0,0,0|2,0,0]=4 959 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [1,1,0,0,0,0|1,0,1]=4 960 B13R2.573 CNc1cccc2c1ccn2C 34a_100000750317_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B13R2.573 COc1cccc2c1[nH]nc2O 271570a_203496583355_100010231496 [1,1,0,0,0,0|2,0,0]=4 962 B13R2.573 COc1cccc2c1ccn2C 34a_100000094269_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B13R2.573 COc1nccc2c1[nH]cc2O 271570a_203496583355_100010168644 [1,1,0,0,0,0|2,0,0]=4 964 B13R2.573 CSc1cccc2c1[nH]cc2C 62a_200000210301_100010186758 [1,1,0,0,0,0|2,0,0]=4 965 B13R2.573 CSc1cccc2c1ccn2C 62a_200000210301_200011934935 [1,1,0,0,0,0|2,0,0]=4 966 B13R2.573 CSc1cccc2c1ncn2C 62a_200000210301_100000696766 [1,1,0,0,0,0|1,0,1]=4 967 B13R2.573 Cc1c[nH]c2c1cccc2S[13CH3] 62a_200025704644_100010186758 [1,1,0,0,0,0|2,0,0]=4 968 B13R2.573 Cn1ccc2c1cccc2N[13CH3] 34a_100000750317_200025704644 [1,1,0,0,0,0|2,0,0]=4 969 B13R2.573 Cn1ccc2c1cccc2O[13CH3] 34a_100000094269_200025704644 [1,1,0,0,0,0|2,0,0]=4 970 B13R2.573 Cn1ccc2c1cccc2S[13CH3] 62a_200025704644_200011934935 [1,1,0,0,0,0|2,0,0]=4 971 B13R2.573 Cn1cnc2c1cccc2S[13CH3] 62a_200025704644_100000696766 [1,1,0,0,0,0|1,0,1]=4 972 B13R2.581 C=Cc1cccc2c1CC(=O)N2 271570a_100011290941_100009816812 [1,1,0,0,0,0|1,0,1]=4 973 B13R2.581 C=Cc1cccc2c1NC(=O)C2 271570a_100011290941_100000767046 [1,1,0,0,0,0|1,0,1]=4 974 B13R2.581 C=Cc1cccc2c1oc(=O)[nH]2 271570a_100011290941_100012360093 [1,1,0,0,0,0|1,0,1]=4 975 B13R2.581 C=Cc1ccnc2c1[nH]c(=O)[nH]2 271570a_100011290941_100009840862 [1,1,0,0,0,0|1,0,1]=4 976 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B13R2.581 CSc1cccc2c1CC(=O)C2 62a_100010205903_200000210301 [1,1,0,0,0,0|2,0,0]=4 978 B13R2.581 CSc1cccc2c1CC(=O)N2 62a_200000210301_100009816812 [1,1,0,0,0,0|1,0,0]=3 979 B13R2.581 CSc1cccc2c1NC(=O)C2 62a_200000210301_100000767046 [1,1,0,0,0,0|1,0,0]=3 980 B13R2.581 CSc1cccc2c1cc([nH]2)C 62a_200000210301_100010143266 [1,1,0,0,0,0|2,0,0]=4 981 B13R2.581 CSc1cccc2c1nc([nH]2)C 62a_200000210301_100012360556 [1,1,0,0,0,0|1,0,1]=4 982 B13R2.581 CSc1ccnc2c1CC(=O)N2 62a_200000210301_100000104061 [1,1,0,0,0,0|2,0,0]=4 983 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [1,1,0,0,0,0|2,0,0]=4 984 B13R2.581 Cc1cc2c(cccc2[nH]1)S[13CH3] 62a_200025704644_100010143266 [1,1,0,0,0,0|2,0,0]=4 985 B13R2.581 Cc1nc2c(cccc2[nH]1)S[13CH3] 62a_200025704644_100012360556 [1,1,0,0,0,0|1,0,1]=4 986 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)C2 62a_100010205903_200025704644 [1,1,0,0,0,0|2,0,0]=4 987 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)N2 62a_200025704644_100009816812 [1,1,0,0,0,0|1,0,0]=3 988 B13R2.581 [13CH3]Sc1cccc2c1NC(=O)C2 62a_200025704644_100000767046 [1,1,0,0,0,0|1,0,0]=3 989 B13R2.581 [13CH3]Sc1ccnc2c1CC(=O)N2 62a_200025704644_100000104061 [1,1,0,0,0,0|2,0,0]=4 990 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [1,1,0,0,0,0|2,0,0]=4 991 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [1,1,0,0,0,0|2,0,0]=4 992 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)cc2O 271570a_100011290941_200010201894 [0,1,0,0,0,1|1,0,1]=4 993 B15R2.86973 CC1Oc2cccc(c2NC1=O)N[13CH3] 2230a_100009861280_200025704644 [0,1,0,0,0,1|2,0,0]=4 994 B15R2.86973 CC1Oc2cccc(c2NC1=O)N[13CH3] 34a_100009861280_200025704644 [0,1,0,0,0,1|2,0,0]=4 995 B15R2.86973 CNc1cccc2c1NC(=O)C(O2)C 2230a_100009861280_200000210301 [0,1,0,0,0,1|2,0,0]=4 996 B15R2.86973 CNc1cccc2c1NC(=O)C(O2)C 34a_100009861280_200000210301 [0,1,0,0,0,1|2,0,0]=4 997 B15R2.37842 CNC1C(=O)N(c2c1cccc2C)C 34a_200015184559_200000210301 [0,2,0,0,0,0|2,0,0]=4 998 B15R2.37842 Cc1cccc2c1N(C(=O)C2N[13CH3])C 34a_200015184559_200025704644 [0,2,0,0,0,0|2,0,0]=4 999 B15R2.22165 CSc1ccc(c2c1NC(=O)C2=O)F 62a_100000716705_200000210301 [0,2,0,0,0,0|1,0,1]=4 1000 B15R2.22165 [13CH3]Sc1ccc(c2c1NC(=O)C2=O)F 62a_100000716705_200025704644 [0,2,0,0,0,0|1,0,1]=4 1001 B15R2.22245 C=Cc1ccc(c2c1C(=O)C(=O)N2)C 271570a_100011290941_100000756257 [0,2,0,0,0,0|1,0,1]=4 1002 B15R2.22245 CSc1ccc(c2c1C(=O)C(=O)N2)C 62a_100000756257_200000210301 [0,2,0,0,0,0|1,0,1]=4 1003 B15R2.22245 Cc1ccc(c2c1NC(=O)C2=O)S[13CH3] 62a_100000756257_200025704644 [0,2,0,0,0,0|1,0,1]=4 1004 B15R2.2724 C=Cc1cc(c2c(c1)C(=O)C(=O)N2)C 271570a_100011290941_100000738869 [0,2,0,0,0,0|1,0,1]=4 1005 B15R2.2724 CSc1cc(c2c(c1)C(=O)C(=O)N2)C 62a_100000738869_200000210301 [0,2,0,0,0,0|1,0,1]=4 1006 B15R2.2724 CSc1cc(c2c(c1)C(=O)C(=O)N2)C 62a_200000210301_100000738869 [0,2,0,0,0,0|1,0,1]=4 1007 B15R2.2724 Cc1cc(cc2c1NC(=O)C2=O)S[13CH3] 62a_100000738869_200025704644 [0,2,0,0,0,0|1,0,1]=4 1008 B15R2.2724 Cc1cc(cc2c1NC(=O)C2=O)S[13CH3] 62a_200025704644_100000738869 [0,2,0,0,0,0|1,0,1]=4 1009 B15R2.22624 CSc1cc(cc2c1NC(=O)C2=O)C 62a_100000216493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1010 B15R2.22624 CSc1cc(cc2c1NC(=O)C2=O)C 62a_200000210301_100000216493 [0,2,0,0,0,0|1,0,1]=4 1011 B15R2.22624 CSc1cc(cc2c1NC(=O)C2=O)F 62a_100000182523_200000210301 [0,2,0,0,0,0|1,0,1]=4 1012 B15R2.22624 CSc1cc(cc2c1NC(=O)C2=O)F 62a_200000210301_100000182523 [0,2,0,0,0,0|1,0,1]=4 1013 B15R2.22624 Cc1cc(c2c(c1)C(=O)C(=O)N2)S[13CH3] 62a_100000216493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1014 B15R2.22624 Cc1cc(c2c(c1)C(=O)C(=O)N2)S[13CH3] 62a_200025704644_100000216493 [0,2,0,0,0,0|1,0,1]=4 1015 B15R2.22624 [13CH3]Sc1cc(cc2c1NC(=O)C2=O)F 62a_100000182523_200025704644 [0,2,0,0,0,0|1,0,1]=4 1016 B15R2.22624 [13CH3]Sc1cc(cc2c1NC(=O)C2=O)F 62a_200025704644_100000182523 [0,2,0,0,0,0|1,0,1]=4 1017 B15R2.11939 CC=Cc1cccc2c1NC(=O)C2=O 271570a_100016259895_100000183292 [0,2,0,0,0,0|1,0,1]=4 1018 B15R2.11939 CCSc1cccc2c1NC(=O)C2=O 62a_100000183292_100000210202 [0,2,0,0,0,0|1,0,1]=4 1019 B15R2.11939 O=C1Nc2c(cccc2C1=O)SCF 62a_100000183292_100015361967 [0,2,0,0,0,0|1,0,1]=4 1020 B15R2.45730 C=C(C)c1cccc2c1NC(=O)C2=O 271570a_100000694244_100000183292 [0,2,0,0,0,0|1,0,1]=4 1021 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,1,1,0,0|2,0,0]=4 1022 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,1,1,0,0|2,0,0]=4 1023 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,1,1,0,0|2,0,0]=4 1024 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,1,1,0,0|2,0,0]=4 1025 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000747473 [0,0,1,0,0,1|2,0,0]=4 1026 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000187820 [0,0,1,0,0,1|2,0,0]=4 1027 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 34a_100000219648_100000187820 [0,0,1,0,0,1|2,0,0]=4 1028 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000747473 [0,0,1,0,0,1|2,0,0]=4 1029 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000187820 [0,0,1,0,0,1|2,0,0]=4 1030 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000187820 [0,0,1,0,0,1|2,0,0]=4 1031 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 2230a_100020633736_100000747473 [0,0,1,0,0,1|2,0,0]=4 1032 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 269982a_100020633736_100000187820 [0,0,1,0,0,1|2,0,0]=4 1033 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 34a_100020633736_100000187820 [0,0,1,0,0,1|2,0,0]=4 1034 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 2230a_100000221217_100000747473 [0,0,1,0,0,1|2,0,0]=4 1035 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 269982a_100000221217_100000187820 [0,0,1,0,0,1|2,0,0]=4 1036 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 34a_100000221217_100000187820 [0,0,1,0,0,1|2,0,0]=4 1037 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [0,0,1,0,0,1|2,0,0]=4 1038 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [0,0,1,0,0,1|2,0,0]=4 1039 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [0,0,1,0,0,1|2,0,0]=4 1040 B13R1.147 Cc1cc(ccn1)N(C)CC(=O)N 27a_100000739694_100000758586 [0,0,1,0,0,1|2,0,0]=4 1041 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,0,1,0,0,1|1,0,1]=4 1042 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,0,1,0,0,1|1,0,0]=3 1043 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,0,1,0,0,1|1,0,0]=3 1044 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,0,1,0,0,1|1,0,0]=3 1045 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 269982a_100000219674_100020667443 [0,0,1,0,0,1|2,0,0]=4 1046 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 34a_100000219674_100020667443 [0,0,1,0,0,1|2,0,0]=4 1047 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,0,1,0,0,1|2,0,0]=4 1048 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,0,1,0,0,1|2,0,0]=4 1049 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,0,1,0,0,1|2,0,0]=4 1050 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,0,1,0,0,1|2,0,0]=4 1051 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,0,1,0,0,1|1,0,1]=4 1052 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,0,1,0,0,1|2,0,0]=4 1053 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,0,1,0,0,1|2,0,0]=4 1054 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 2230a_100000188690_100009813875 [0,0,1,0,0,1|2,0,0]=4 1055 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 34a_100000188690_100009813875 [0,0,1,0,0,1|2,0,0]=4 1056 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,0,1,0,0,1|2,0,0]=4 1057 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,0,1,0,0,1|2,0,0]=4 1058 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,0,1,0,0,1|2,0,0]=4 1059 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,0,1,0,0,1|2,0,0]=4 1060 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,0,1,0,0,1|2,0,0]=4 1061 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,0,1,0,0,1|2,0,0]=4 1062 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100011215228 [0,0,1,0,0,1|2,0,0]=4 1063 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100011215228_100009813875 [0,0,1,0,0,1|2,0,0]=4 1064 B13R1.528 C=CC(=O)NCc1ccccc1C 1626a_100000174972_100000185746 [0,0,1,0,0,1|2,0,0]=4 1065 B13R1.528 C=CC(=O)NCc1ccccc1C 240690a_100000174972_200121576911 [0,0,1,0,0,1|2,0,0]=4 1066 B13R1.528 C=CC(=O)NNc1ccccc1C 22a_100000184220_100000185746 [0,0,1,0,0,1|2,0,0]=4 1067 B13R1.528 CC(=NNc1ccccc1C)CO 4a_100000184220_100000211253 [0,0,1,0,0,1|2,0,0]=4 1068 B13R1.528 CCC(=O)NCc1ccccc1C 11a_100000174972_100000210414 [0,0,1,0,0,1|2,0,0]=4 1069 B13R1.528 CCC(=O)NCc1ccccc1C 1626a_100000174972_100000210414 [0,0,1,0,0,1|2,0,0]=4 1070 B13R1.528 CCC(=O)NCc1ccccc1C 240690a_100000174972_100000210414 [0,0,1,0,0,1|2,0,0]=4 1071 B13R1.528 CCC(=O)NCc1ccccc1C 527a_100000174972_100000210414 [0,0,1,0,0,1|2,0,0]=4 1072 B13R1.528 CCC(=O)NNc1ccccc1C 22a_100000184220_100000210414 [0,0,1,0,0,1|2,0,0]=4 1073 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,0,1,0,0,1|2,0,0]=4 1074 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,0,1,0,0,1|2,0,0]=4 1075 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,0,1,0,0,1|2,0,0]=4 1076 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,0,1,0,0,1|2,0,0]=4 1077 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,0,1,0,0,1|2,0,0]=4 1078 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,0,1,0,0,1|2,0,0]=4 1079 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,0,1,0,0,1|1,0,0]=3 1080 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,0,1,0,0,1|2,0,0]=4 1081 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,0,1,0,0,1|2,0,0]=4 1082 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,0,1,0,0,1|2,0,0]=4 1083 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,0,1,0,0,1|2,0,0]=4 1084 B13R1.528 CNC(=O)CNc1ccncc1C 27a_100000693194_100000765111 [0,0,1,0,0,1|2,0,0]=4 1085 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,0,1,0,0,1|2,0,0]=4 1086 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,0,1,0,0,1|2,0,0]=4 1087 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,0,1,0,0,1|2,0,0]=4 1088 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,0,1,0,0,1|2,0,0]=4 1089 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,0,1,0,0,1|2,0,0]=4 1090 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,0,1,0,0,1|2,0,0]=4 1091 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,0,1,0,0,1|2,0,0]=4 1092 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,0,1,0,0,1|2,0,0]=4 1093 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,0,1,0,0,1|2,0,0]=4 1094 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,0,1,0,0,1|2,0,0]=4 1095 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,0,1,0,0,1|2,0,0]=4 1096 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,0,1,0,0,1|2,0,0]=4 1097 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,0,1,0,0,1|2,0,0]=4 1098 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,0,1,0,0,1|2,0,0]=4 1099 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,0,1,0,0,1|2,0,0]=4 1100 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,0,1,0,0,1|2,0,0]=4 1101 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,0,1,0,0,1|2,0,0]=4 1102 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,0,1,0,0,1|2,0,0]=4 1103 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,0,1,0,0,1|1,0,0]=3 1104 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,0,1,0,0,1|1,0,0]=3 1105 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,0,1,0,0,1|1,0,0]=3 1106 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,0,1,0,0,1|1,0,0]=3 1107 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,0,1,0,0,1|1,0,0]=3 1108 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,0,1,0,0,1|1,0,0]=3 1109 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,0,1,0,0,1|2,0,0]=4 1110 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,0,1,0,0,1|2,0,0]=4 1111 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,0,1,0,0,1|2,0,0]=4 1112 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,0,1,0,0,1|2,0,0]=4 1113 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,0,1,0,0,1|2,0,0]=4 1114 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,0,1,0,0,1|2,0,0]=4 1115 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,0,1,0,0,1|2,0,0]=4 1116 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,0,1,0,0,1|2,0,0]=4 1117 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,0,1,0,0,1|2,0,0]=4 1118 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,0,1,0,0,1|2,0,0]=4 1119 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,0,1,0,0,1|2,0,0]=4 1120 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,0,1,0,0,1|2,0,0]=4 1121 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,0,1,0,0,1|2,0,0]=4 1122 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,0,1,0,0,1|2,0,0]=4 1123 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,0,1,0,0,1|2,0,0]=4 1124 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,0,1,0,0,1|2,0,0]=4 1125 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,0,1,0,0,1|2,0,0]=4 1126 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,0,1,0,0,1|2,0,0]=4 1127 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,0,1,0,0,1|2,0,0]=4 1128 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,0,1,0,0,1|2,0,0]=4 1129 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,0,1,0,0,1|2,0,0]=4 1130 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,0,1,0,0,1|2,0,0]=4 1131 B13R1.528 CNC(=O)NCc1ccncc1C 2708a_100000708811_106832991635 [0,0,1,0,0,1|2,0,0]=4 1132 B13R1.528 CNC(=O)NCc1ccncc1C 2708a_100102657272_100000708811 [0,0,1,0,0,1|2,0,0]=4 1133 B13R1.528 CNC(=O)NCc1ccncc1C 273464a_100000708811_100102657272 [0,0,1,0,0,1|2,0,0]=4 1134 B13R1.528 CNC(=O)NCc1ccncc1C 273464a_100102657272_100000708811 [0,0,1,0,0,1|2,0,0]=4 1135 B13R1.528 CNC(=O)NCc1ccncc1C 512a_100000708811_100102657272 [0,0,1,0,0,1|2,0,0]=4 1136 B13R1.528 CNC(=O)NCc1ccncc1C 512a_106832991638_100000708811 [0,0,1,0,0,1|2,0,0]=4 1137 B13R1.528 CNC(=O)NCc1cnccc1C 2708a_100011997553_106832991635 [0,0,1,0,0,1|2,0,0]=4 1138 B13R1.528 CNC(=O)NCc1cnccc1C 2708a_100102657272_100011997553 [0,0,1,0,0,1|2,0,0]=4 1139 B13R1.528 CNC(=O)NCc1cnccc1C 273464a_100011997553_100102657272 [0,0,1,0,0,1|2,0,0]=4 1140 B13R1.528 CNC(=O)NCc1cnccc1C 273464a_100102657272_100011997553 [0,0,1,0,0,1|2,0,0]=4 1141 B13R1.528 CNC(=O)NCc1cnccc1C 512a_100011997553_100102657272 [0,0,1,0,0,1|2,0,0]=4 1142 B13R1.528 CNC(=O)NCc1cnccc1C 512a_106832991638_100011997553 [0,0,1,0,0,1|2,0,0]=4 1143 B13R1.528 CNC(=O)NCc1ncccc1C 2708a_100011223789_106832991635 [0,0,1,0,0,1|2,0,0]=4 1144 B13R1.528 CNC(=O)NCc1ncccc1C 2708a_100102657272_100011223789 [0,0,1,0,0,1|2,0,0]=4 1145 B13R1.528 CNC(=O)NCc1ncccc1C 273464a_100011223789_100102657272 [0,0,1,0,0,1|2,0,0]=4 1146 B13R1.528 CNC(=O)NCc1ncccc1C 273464a_100102657272_100011223789 [0,0,1,0,0,1|2,0,0]=4 1147 B13R1.528 CNC(=O)NCc1ncccc1C 512a_100011223789_100102657272 [0,0,1,0,0,1|2,0,0]=4 1148 B13R1.528 CNC(=O)NCc1ncccc1C 512a_106832991638_100011223789 [0,0,1,0,0,1|2,0,0]=4 1149 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,0,1,0,0,1|2,0,0]=4 1150 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,0,1,0,0,1|2,0,0]=4 1151 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,0,1,0,0,1|1,0,0]=3 1152 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,0,1,0,0,1|1,0,0]=3 1153 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,0,1,0,0,1|2,0,0]=4 1154 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,0,1,0,0,1|2,0,0]=4 1155 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,0,1,0,0,1|2,0,0]=4 1156 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,0,1,0,0,1|2,0,0]=4 1157 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,0,1,0,0,1|2,0,0]=4 1158 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,0,1,0,0,1|2,0,0]=4 1159 B13R1.528 CNC(=O)NNc1cccnc1C 273464a_100102657272_100000730703 [0,0,1,0,0,1|2,0,0]=4 1160 B13R1.528 CNC(=O)NNc1cccnc1C 512a_106832991638_100000730703 [0,0,1,0,0,1|2,0,0]=4 1161 B13R1.528 CNC(=O)NNc1ccncc1C 273464a_100102657272_100011935204 [0,0,1,0,0,1|2,0,0]=4 1162 B13R1.528 CNC(=O)NNc1ccncc1C 512a_106832991638_100011935204 [0,0,1,0,0,1|2,0,0]=4 1163 B13R1.528 CNC(=O)NNc1ncccc1C 273464a_100102657272_100000708268 [0,0,1,0,0,1|2,0,0]=4 1164 B13R1.528 CNC(=O)NNc1ncccc1C 512a_106832991638_100000708268 [0,0,1,0,0,1|2,0,0]=4 1165 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,0,1,0,0,1|2,0,0]=4 1166 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,0,1,0,0,1|2,0,0]=4 1167 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,0,1,0,0,1|1,0,0]=3 1168 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,0,1,0,0,1|1,0,0]=3 1169 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,0,1,0,0,1|1,0,0]=3 1170 B13R1.528 Cc1cccnc1CNC(=O)CO 240690a_100011223789_100000210174 [0,0,1,0,0,1|2,0,0]=4 1171 B13R1.528 Cc1cccnc1CNC(=O)CO 527a_100011223789_100000210174 [0,0,1,0,0,1|2,0,0]=4 1172 B13R1.528 Cc1cccnc1NNC(=O)CO 22a_100000708268_100000210174 [0,0,1,0,0,1|2,0,0]=4 1173 B13R1.528 Cc1ccncc1CNC(=O)CO 240690a_100011997553_100000210174 [0,0,1,0,0,1|2,0,0]=4 1174 B13R1.528 Cc1ccncc1CNC(=O)CO 527a_100011997553_100000210174 [0,0,1,0,0,1|2,0,0]=4 1175 B13R1.528 Cc1cnccc1CNC(=O)CO 240690a_100000708811_100000210174 [0,0,1,0,0,1|2,0,0]=4 1176 B13R1.528 Cc1cnccc1CNC(=O)CO 527a_100000708811_100000210174 [0,0,1,0,0,1|2,0,0]=4 1177 B13R1.528 Cc1cnccc1NNC(=O)CO 22a_100011935204_100000210174 [0,0,1,0,0,1|2,0,0]=4 1178 B13R1.528 Cc1ncccc1NNC(=O)CO 22a_100000730703_100000210174 [0,0,1,0,0,1|2,0,0]=4 1179 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,0,1,0,0,1|2,0,0]=4 1180 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,0,1,0,0,1|2,0,0]=4 1181 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,0,1,0,0,1|2,0,0]=4 1182 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,0,1,0,0,1|2,0,0]=4 1183 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,0,1,0,0,1|2,0,0]=4 1184 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,0,1,0,0,1|2,0,0]=4 1185 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,0,1,0,0,1|2,0,0]=4 1186 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,0,1,0,0,1|2,0,0]=4 1187 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,0,1,0,0,1|2,0,0]=4 1188 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,0,1,0,0,1|2,0,0]=4 1189 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,0,1,0,0,1|2,0,0]=4 1190 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,0,1,0,0,1|2,0,0]=4 1191 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,0,1,0,0,1|2,0,0]=4 1192 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,0,1,0,0,1|2,0,0]=4 1193 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,0,0,0,0,1|1,0,0]=3 1194 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,0,0,0,0,1|2,0,0]=4 1195 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [1,0,0,0,0,1|1,0,1]=4