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|3,0,0]=4 6 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.196 Oc1cnc2n1cccc2F 271570a_203496583355_100009817165 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [1,0,0,0,0,0|2,1,0]=4 11 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [1,0,0,0,0,0|2,1,0]=4 12 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [1,0,0,0,0,0|2,0,0]=3 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 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [1,0,0,0,0,0|1,1,1]=4 24 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [1,0,0,0,0,0|1,0,2]=4 25 B12R2.202 Oc1nc2c(cccc2s1)F 271570a_203496583355_100010008856 [1,0,0,0,0,0|1,0,2]=4 26 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)O 271570a_203496583355_100000756257 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.8620 O=C1Nc2c(ccc(c2C1=O)F)O 271570a_203496583355_100000716705 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.8737 O=C1Nc2c(ccc(c2F)O)C1=O 271570a_203496583355_100011000547 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)O 271570a_203496583355_100000216493 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)O 271570a_203496583355_100000738869 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)F)O 271570a_203496583355_100000182523 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)O)F 271570a_203496583355_200000754225 [0,1,0,0,0,0|1,0,1]=3 33 B14R2.11645 C=Cc1cccc2c1NC(=O)C2=O 271570a_100011290941_100000183292 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.11645 CSc1cccc2c1NC(=O)C2=O 62a_100000183292_200000210301 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.11645 [13CH3]Sc1cccc2c1NC(=O)C2=O 62a_100000183292_200025704644 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,0,1,0,0,0|2,1,0]=4 39 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,0,1,0,0,0|2,1,0]=4 41 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,0,1,0,0,0|2,1,0]=4 42 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,0,1,0,0,0|2,1,0]=4 43 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,0,1,0,0,0|2,1,0]=4 44 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,0,1,0,0,0|2,1,0]=4 48 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,0,1,0,0,0|2,1,0]=4 49 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,0,1,0,0,0|2,1,0]=4 50 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,0,1,0,0,0|2,0,0]=3 51 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,0,1,0,0,0|2,0,0]=3 52 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,0,1,0,0,0|2,1,0]=4 54 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,0,1,0,0,0|2,1,0]=4 55 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,0,1,0,0,0|2,1,0]=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(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [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|3,0,0]=4 59 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,0,1,0,0,0|2,1,0]=4 60 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,0,1,0,0,0|2,0,0]=3 61 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,1,0,0,0|2,1,0]=4 64 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,1,0,0,0|2,1,0]=4 67 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,1,0,0,0|2,1,0]=4 68 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,1,0,0,0|2,0,0]=3 69 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,1,0,0,0|2,0,0]=3 70 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,1,0,0,0|2,1,0]=4 71 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,0,1,0,0,0|2,0,1]=4 73 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_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|2,1,0]=4 76 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,0,1,0,0,0|2,1,0]=4 77 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,0,1,0,0,0|2,1,0]=4 82 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,0,1,0,0,0|2,1,0]=4 83 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,0,1,0,0,0|2,1,0]=4 84 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,0,1,0,0,0|2,1,0]=4 85 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,0,1,0,0,0|2,0,0]=3 86 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,0,1,0,0,0|2,0,0]=3 87 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,0,1,0,0,0|2,0,0]=3 89 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,0,1,0,0,0|2,1,0]=4 90 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,0,1,0,0,0|2,1,0]=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|2,1,0]=4 95 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,0,1,0,0,0|2,1,0]=4 96 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,0,1,0,0,0|2,1,0]=4 97 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,0,1,0,0,0|2,1,0]=4 102 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,0,1,0,0,0|2,1,0]=4 103 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,0,1,0,0,0|2,1,0]=4 104 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,0,1,0,0,0|2,1,0]=4 105 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,0,1,0,0,0|2,0,0]=3 106 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,0,1,0,0,0|2,0,0]=3 109 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,0,1,0,0,0|2,1,0]=4 110 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,0,1,0,0,0|2,1,0]=4 111 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,0,1,0,0,0|2,1,0]=4 112 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,0,1,0,0,0|2,1,0]=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)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,0,1,0,0,0|1,1,0]=3 117 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,0,1,0,0,0|2,0,0]=3 118 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,0,1,0,0,0|1,1,0]=3 119 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,0,1,0,0,0|1,0,0]=2 120 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,0,1,0,0,0|1,1,0]=3 121 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,0,1,0,0,0|2,0,0]=3 122 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,1,0,0,0|2,0,0]=3 125 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,1,0,0,0|2,0,0]=3 126 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,0,1,0,0,0|3,0,0]=4 128 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,0,1,0,0,0|2,1,0]=4 129 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,0,1,0,0,0|2,1,0]=4 130 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,0,1,0,0,0|2,0,0]=3 131 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,0,1,0,0,0|2,1,0]=4 132 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,1,0,0,0|1,1,0]=3 135 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,1,0,0,0|1,1,0]=3 136 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,1,0,0,0|1,0,0]=2 137 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,1,0,0,0|1,0,0]=2 138 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,1,0,0,0|2,0,0]=3 139 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,1,0,0,0|2,0,0]=3 140 B12R1.1112 CC=Cc1c(cccc1CO)F 271570a_100016259895_100000692438 [0,0,1,0,0,0|3,0,0]=4 141 B12R1.1112 CCNc1c(cccc1CO)F 34a_100000692437_100000210202 [0,0,1,0,0,0|2,0,1]=4 142 B12R1.1112 OCc1cccc(c1NCF)F 34a_100000692437_100015361967 [0,0,1,0,0,0|2,0,1]=4 143 B14R2.8038 O=c1c(c[nH]c2c1cccc2F)O 271570a_203496583355_100012351745 [0,0,0,0,0,1|1,0,2]=4 144 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O 271570a_203496583355_100000689329 [0,0,0,0,0,1|2,0,1]=4 145 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,0,0,0,0,1|2,0,1]=4 146 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,0,0,0,0,1|2,0,1]=4 147 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,0,0,0,0,1|2,0,0]=3 148 B11R1.13 CC=Cc1cccc(c1N)F 271570a_100016259895_100000042321 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,0,1,0,0,0|2,0,0]=4 151 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,1,0,0,0|2,0,0]=4 156 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,1,0,0,0|1,1,0]=4 158 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,1,0,0,0|1,1,0]=4 159 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,1,0,0,0|1,1,0]=4 160 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,1,0,0,0|1,1,0]=4 161 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,1,0,0,0|1,1,0]=4 166 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,1,0,0,0|1,1,0]=4 167 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,1,0,0,0|1,1,0]=4 168 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,1,0,0,0|1,0,0]=3 169 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,1,0,0,0|1,0,0]=3 170 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,1,0,0,0|1,0,0]=3 171 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,1,0,0,0|1,0,0]=3 172 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,1,0,0,0|1,1,0]=4 173 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,1,0,0,0|1,1,0]=4 174 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,1,0,0,0|1,1,0]=4 175 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,1,0,0,0|1,1,0]=4 176 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,1,0,0,0|2,0,0]=4 180 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,1,0,0,0|1,0,0]=3 182 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,0,1,0,0,0|1,0,1]=4 184 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 189 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,1,0,0,0|2,0,0]=4 190 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,1,0,0,0|1,0,0]=3 191 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,0]=3 193 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,0]=3 194 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,0,1,0,0,0|2,0,0]=4 196 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,1,0,0,0|1,1,0]=4 197 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,1,0,0,0|1,1,0]=4 198 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,1,0,0,0|2,0,0]=4 201 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,1,0,0,0|1,1,0]=4 203 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,1,0,0,0|1,1,0]=4 204 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,1,0,0,0|1,1,0]=4 205 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,1,0,0,0|1,1,0]=4 206 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,1,0,0,0|1,0,0]=3 207 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,1,0,0,0|1,0,0]=3 208 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,1,0,0,0|1,0,0]=3 209 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,1,0,0,0|1,0,0]=3 210 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,1,0,0,0|1,1,0]=4 211 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,1,0,0,0|1,1,0]=4 212 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|1,0,0]=3 217 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.265 C=Cc1c(cccc1CO)F 271570a_100011290941_100000692438 [1,0,1,0,0,0|2,0,0]=4 223 B11R1.265 C=Cc1cccc(c1C=O)F 271570a_100011290941_100000210083 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.265 CNc1c(cccc1CO)F 34a_100000692437_200000210301 [1,0,1,0,0,0|1,0,1]=4 225 B11R1.265 CNc1ccnc(c1C=O)F 27a_100102657272_100009877353 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.265 CSc1cccc(c1C=O)F 62a_100000210083_200000210301 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.265 CSc1cccc(c1C=O)F 62a_200000210301_100000210083 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.265 [13CH3]Nc1c(cccc1CO)F 34a_100000692437_200025704644 [1,0,1,0,0,0|1,0,1]=4 229 B11R1.265 [13CH3]Sc1cccc(c1C=O)F 62a_100000210083_200025704644 [1,0,1,0,0,0|2,0,0]=4 230 B11R1.265 [13CH3]Sc1cccc(c1C=O)F 62a_200025704644_100000210083 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.605 CC=Cc1c(cccc1F)N 271570a_100016259895_100011934729 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.605 CC=Cc1c(cccc1F)O 271570a_100016259895_100009820682 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.605 CCNc1c(cccc1F)O 34a_100020591140_100000210202 [1,0,1,0,0,0|1,0,1]=4 234 B11R1.605 Oc1cccc(c1NCF)F 34a_100020591140_100015361967 [1,0,1,0,0,0|1,0,1]=4 235 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [2,0,0,0,0,0|2,0,0]=4 236 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [2,0,0,0,0,0|2,0,0]=4 237 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [2,0,0,0,0,0|2,0,0]=4 238 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [2,0,0,0,0,0|2,0,0]=4 239 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [2,0,0,0,0,0|2,0,0]=4 240 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [2,0,0,0,0,0|2,0,0]=4 241 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [2,0,0,0,0,0|2,0,0]=4 242 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [2,0,0,0,0,0|1,0,1]=4 243 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [2,0,0,0,0,0|0,0,2]=4 244 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [2,0,0,0,0,0|2,0,0]=4 245 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [2,0,0,0,0,0|2,0,0]=4 246 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [2,0,0,0,0,0|1,0,1]=4 247 B13R1.3768 CC(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200000210301 [0,1,1,0,0,0|2,0,0]=4 248 B13R1.3768 [13CH3]C(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200025704644 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.22 C=CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000185746 [0,1,1,0,0,0|2,0,0]=4 250 B13R1.22 C=CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000185746 [0,1,1,0,0,0|2,0,0]=4 251 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 11a_100020633736_100000210414 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000210414 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000210414 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.22 CN(C(=O)CO)c1cccc(c1)F 22a_100020633736_100000210174 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,1,1,0,0,0|1,1,0]=4 262 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,1,1,0,0,0|1,0,0]=3 263 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_100000219648_100102657272 [0,1,1,0,0,0|1,1,0]=4 264 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_106832991638_100000219648 [0,1,1,0,0,0|1,1,0]=4 265 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_100000219674_100102657272 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_106832991638_100000219674 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.22 CNC(=O)N(C)c1cccc(c1)Cl 512a_100000220044_100102657272 [0,1,1,0,0,0|1,1,0]=4 268 B13R1.22 CNC(=O)N(C)c1cccc(c1)F 512a_100020633736_100102657272 [0,1,1,0,0,0|1,0,0]=3 269 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_100000221217_100102657272 [0,1,1,0,0,0|1,1,0]=4 270 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_106832991638_100000221217 [0,1,1,0,0,0|1,1,0]=4 271 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.22 O=C(CF)C(O)c1cccc(c1)F 1458a_100011434943_100015361967 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)Br 11a_100012285320_100015343762 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)Br 1626a_100012285320_100015343762 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 11a_100160572069_100015343762 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 1626a_100160572069_100015343762 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 22a_100160572069_100000070787 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 527a_100160572069_100103153847 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 11a_100000221014_100015343762 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 1626a_100000221014_100015343762 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 22a_100000221014_100000070787 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.897 CC(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200000210301 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 11a_100020633008_100015343762 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 1626a_100020633008_100015343762 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 11a_114849113390_100015343762 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 1626a_114849113390_100015343762 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.897 [13CH3]C(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200025704644 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.3423 CC(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200000210301 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Br)F 11a_106741647397_100015343762 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Br)F 1626a_106741647397_100015343762 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Br)F 22a_106741647397_100000070787 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 11a_103496528823_100015343762 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 1626a_103496528823_100015343762 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 22a_103496528823_100000070787 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)F 11a_100011233154_100015343762 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)F 1626a_100011233154_100015343762 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)F 22a_100011233154_100000070787 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.3423 [13CH3]C(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200025704644 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.40 C=CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000185746 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.40 C=CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000185746 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.40 C=CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000185746 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.40 C=CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000185746 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.40 C=CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000185746 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.40 C=CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000185746 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.40 C=CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000185746 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 11a_100011935091_100000210414 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000210414 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000210414 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 527a_100011935091_100000210414 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.40 CCC(=O)Nc1cccc(c1F)C 11a_100000697159_100000210414 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.40 CCC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000210414 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.40 CCC(=O)Nc1cccc(c1F)C 527a_100000697159_100000210414 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100000210414 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000210414 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000210414 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.40 CCC(=O)Nc1cccc(c1F)F 11a_100000743855_100000210414 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.40 CCC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000210414 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.40 CCC(=O)Nc1cccc(c1F)F 22a_100000743855_100000210414 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,1,1,0,0,0|1,1,0]=4 334 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,1,1,0,0,0|1,1,0]=4 335 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,1,1,0,0,0|1,1,0]=4 336 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,1,1,0,0,0|1,1,0]=4 337 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,1,1,0,0,0|1,1,0]=4 344 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,1,1,0,0,0|1,1,0]=4 345 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,1,1,0,0,0|1,1,0]=4 346 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,1,1,0,0,0|1,1,0]=4 347 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,1,1,0,0,0|1,1,0]=4 348 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,1,1,0,0,0|1,0,0]=3 349 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,1,1,0,0,0|1,0,0]=3 350 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,1,1,0,0,0|1,0,0]=3 351 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,1,1,0,0,0|1,0,0]=3 352 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,1,1,0,0,0|1,0,0]=3 353 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,1,1,0,0,0|1,0,0]=3 354 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,1,1,0,0,0|1,0,0]=3 355 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,1,1,0,0,0|1,1,0]=4 356 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,1,1,0,0,0|1,1,0]=4 357 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,1,1,0,0,0|1,1,0]=4 358 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,1,1,0,0,0|1,1,0]=4 359 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,1,1,0,0,0|1,1,0]=4 360 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 22a_100000750434_100000210174 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 527a_100000750434_100000210174 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 22a_100000210441_100000210174 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 527a_100000210441_100000210174 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.40 Cc1c(cccc1NC(=O)CO)F 22a_100000745574_100000210174 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.40 Cc1c(cccc1NC(=O)CO)F 527a_100000745574_100000210174 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.40 Cc1c(cccc1NC(=O)CO)I 22a_100000761887_100000210174 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.40 Cc1c(cccc1NC(=O)CO)I 527a_100000761887_100000210174 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.40 Cc1cccc(c1Br)NC(=O)CO 22a_100000684715_100000210174 [0,1,1,0,0,0|1,1,0]=4 376 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.40 Cc1cccc(c1Cl)NC(=O)CO 22a_100000765562_100000210174 [0,1,1,0,0,0|1,1,0]=4 379 B13R1.40 Cc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011216058 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.40 Cc1cccc(c1F)NC(=O)CO 527a_100000697159_100000210174 [0,1,1,0,0,0|1,0,0]=3 381 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.40 O=C(CO)Cc1cccc(c1F)Br 1458a_100000210174_100012356507 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.40 O=C(CO)Cc1cccc(c1F)Cl 1458a_100000210174_100000716733 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.40 O=C(CO)Cc1cccc(c1F)F 1458a_100000210174_100000217499 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,1,1,0,0,0|1,1,0]=4 387 B13R1.40 O=C(CO)Nc1cccc(c1Cl)Br 527a_100000687075_100000210174 [0,1,1,0,0,0|1,1,0]=4 388 B13R1.40 O=C(CO)Nc1cccc(c1Cl)F 22a_100000692321_100000210174 [0,1,1,0,0,0|1,1,0]=4 389 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,1,1,0,0,0|1,1,0]=4 390 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 22a_100011935091_100000210174 [0,1,1,0,0,0|1,0,0]=3 391 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 527a_100011935091_100000210174 [0,1,1,0,0,0|1,0,0]=3 392 B13R1.40 O=C(CO)Nc1cccc(c1F)Cl 22a_100000199060_100000210174 [0,1,1,0,0,0|1,0,0]=3 393 B13R1.40 O=C(CO)Nc1cccc(c1F)F 22a_100000743855_100000210174 [0,1,1,0,0,0|1,0,0]=3 394 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.91 C#Cc1ccccc1NC(=O)CO 22a_100011470550_100000210174 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.91 C#Cc1ccccc1NC(=O)NC 2430a_100011470550_100102657272 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.91 CNC(=O)Nc1ccccc1C#N 2430a_100000211148_100102657272 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,1,0,0,0|1,0,1]=4 429 B13R1.202 CC(C)C(=O)Nc1ccccc1F 11a_100000210422_100000210198 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.202 CC(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000210198 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.202 CC(C)C(=O)Nc1ccccc1F 22a_100000210422_100000210198 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.202 CC(C)C(=O)Nc1ccccc1F 527a_100000210422_100000210198 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.202 CC(F)C(=O)Nc1ccccc1F 11a_100000210422_100000062450 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.202 CC(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000062450 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.202 CC(F)C(=O)Nc1ccccc1F 22a_100000210422_100000062450 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.202 CC(F)C(=O)Nc1ccccc1F 527a_100000210422_100000062450 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.202 CN(C)C(=O)Cc1ccccc1F 11a_100102631434_100000212012 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.202 CN(C)C(=O)Cc1ccccc1F 1626a_100102631434_100000212012 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.202 CN(C)C(=O)Cc1ccccc1F 240690a_100102631434_100000212012 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.202 CN(C)C(=O)Cc1ccccc1F 527a_100102631434_100000212012 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.202 CN(C)C(=O)Nc1ccccc1Br 2430a_100000210017_100102631434 [0,1,1,0,0,0|1,1,0]=4 442 B13R1.202 CN(C)C(=O)Nc1ccccc1Cl 2430a_100000185783_100102631434 [0,1,1,0,0,0|1,1,0]=4 443 B13R1.202 CN(C)C(=O)Nc1ccccc1F 2430a_100000210422_100102631434 [0,1,1,0,0,0|1,0,0]=3 444 B13R1.202 CN(C)C(=O)Nc1ccccc1I 2430a_100000210053_100102631434 [0,1,1,0,0,0|1,1,0]=4 445 B13R1.202 CN(C)C(=O)Nc1ccccc1O 2430a_100000185747_100102631434 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,1,1,0,0,0|1,1,0]=4 448 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,1,1,0,0,0|1,0,0]=3 449 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,1,1,0,0,0|1,1,0]=4 452 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,1,1,0,0,0|1,1,0]=4 453 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,1,1,0,0,0|1,1,0]=4 454 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,1,1,0,0,0|1,0,0]=3 455 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,1,1,0,0,0|1,0,0]=3 456 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,1,1,0,0,0|1,1,0]=4 457 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.202 Cc1ccccc1NC(=O)C(O)O 22a_100015192222_100000233687 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.202 Cc1ccccc1NC(=O)N(C)C 2430a_100015192222_100102631434 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,1,0,0,0|1,0,1]=4 464 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.202 O=C(Nc1ccccc1Cl)C(O)O 22a_100000185783_100000233687 [0,1,1,0,0,0|1,1,0]=4 466 B13R1.202 O=C(Nc1ccccc1F)C(F)F 11a_100000210422_100000210393 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.202 O=C(Nc1ccccc1F)C(F)F 1626a_100000210422_100000210393 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.202 O=C(Nc1ccccc1F)C(F)F 22a_100000210422_100000210393 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.202 O=C(Nc1ccccc1F)C(F)F 527a_100000210422_100000210393 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.202 O=C(Nc1ccccc1F)C(O)O 22a_100000210422_100000233687 [0,1,1,0,0,0|1,0,0]=3 471 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,1,0,0,0|1,0,1]=4 473 B13R1.470 C#CCC(=O)Nc1ccccc1F 1626a_100000210422_100011220946 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.470 C#CCC(=O)Nc1ccccc1F 527a_100000210422_100011220946 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.470 C=CCC(=O)Nc1ccccc1F 11a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.470 C=CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.470 C=CCC(=O)Nc1ccccc1F 22a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.470 C=CCC(=O)Nc1ccccc1F 527a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.470 CC#CC(=O)Nc1ccccc1F 22a_100000210422_100000763181 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.470 CCCC(=O)Nc1ccccc1F 11a_100000210422_100000211992 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.470 CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000211992 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.470 CCCC(=O)Nc1ccccc1F 22a_100000210422_100000211992 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.470 CCCC(=O)Nc1ccccc1F 527a_100000210422_100000211992 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,1,1,0,0,0|1,1,0]=4 491 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,1,1,0,0,0|1,1,0]=4 493 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,1,1,0,0,0|1,0,0]=3 494 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,1,1,0,0,0|1,1,0]=4 495 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,1,1,0,0,0|1,1,0]=4 497 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,1,1,0,0,0|1,1,0]=4 498 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,1,1,0,0,0|1,1,0]=4 499 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,1,1,0,0,0|1,1,0]=4 504 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,1,1,0,0,0|1,1,0]=4 505 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,1,1,0,0,0|1,1,0]=4 506 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,1,1,0,0,0|1,0,0]=3 507 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,1,1,0,0,0|1,0,0]=3 508 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,1,1,0,0,0|1,0,0]=3 509 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,1,1,0,0,0|1,1,0]=4 510 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,1,1,0,0,0|1,1,0]=4 511 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,1,1,0,0,0|1,1,0]=4 512 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,1,1,0,0,0|1,1,0]=4 516 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,1,1,0,0,0|1,1,0]=4 517 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,1,1,0,0,0|1,1,0]=4 523 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,1,1,0,0,0|1,1,0]=4 524 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,1,1,0,0,0|1,1,0]=4 525 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,1,1,0,0,0|1,1,0]=4 526 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,1,1,0,0,0|1,1,0]=4 527 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,1,1,0,0,0|1,0,0]=3 528 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,1,1,0,0,0|1,0,0]=3 529 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,1,1,0,0,0|1,0,0]=3 530 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,1,1,0,0,0|1,0,0]=3 531 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,1,1,0,0,0|1,0,0]=3 532 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,1,1,0,0,0|1,1,0]=4 533 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,1,1,0,0,0|1,1,0]=4 534 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,1,1,0,0,0|1,1,0]=4 535 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.470 CSCC(=O)Nc1ccccc1F 11a_100000210422_100000184570 [0,1,1,0,0,0|1,1,0]=4 539 B13R1.470 CSCC(=O)Nc1ccccc1F 1626a_100000210422_100000184570 [0,1,1,0,0,0|1,1,0]=4 540 B13R1.470 CSCC(=O)Nc1ccccc1F 22a_100000210422_100000184570 [0,1,1,0,0,0|1,1,0]=4 541 B13R1.470 CSCC(=O)Nc1ccccc1F 527a_100000210422_100000184570 [0,1,1,0,0,0|1,1,0]=4 542 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_100000182988_200000210301 [0,1,1,0,0,0|1,1,0]=4 543 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_200000210301_100000182988 [0,1,1,0,0,0|1,1,0]=4 544 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,1,1,0,0,0|2,0,0]=4 546 B13R1.470 N#CCC(=O)Nc1ccccc1F 1626a_100000210422_100051588842 [0,1,1,0,0,0|2,0,0]=4 547 B13R1.470 N#CCC(=O)Nc1ccccc1F 22a_100000210422_100051588842 [0,1,1,0,0,0|2,0,0]=4 548 B13R1.470 O=C(C=CBr)Nc1ccccc1F 1626a_100000210422_100016273825 [0,1,1,0,0,0|2,0,0]=4 549 B13R1.470 O=C(C=CCl)Nc1ccccc1F 11a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 550 B13R1.470 O=C(C=CCl)Nc1ccccc1F 1626a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 551 B13R1.470 O=C(C=CI)Nc1ccccc1F 1626a_100000210422_100016256311 [0,1,1,0,0,0|2,0,0]=4 552 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,1,1,0,0,0|2,0,0]=4 553 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,1,1,0,0,0|2,0,0]=4 554 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,1,1,0,0,0|1,1,0]=4 555 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,1,1,0,0,0|1,0,0]=3 556 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,1,1,0,0,0|2,0,0]=4 557 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,1,1,0,0,0|1,1,0]=4 558 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_100000182988_200025704644 [0,1,1,0,0,0|1,1,0]=4 559 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_200025704644_100000182988 [0,1,1,0,0,0|1,1,0]=4 560 B13R1.696 C=CC(=O)N(C)c1ccccc1F 1626a_100000220357_100000185746 [0,1,1,0,0,0|2,0,0]=4 561 B13R1.696 C=CC(=O)N(C)c1ccccc1F 22a_100000220357_100000185746 [0,1,1,0,0,0|2,0,0]=4 562 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,1,1,0,0,0|2,0,0]=4 563 B13R1.696 CCC(=O)N(C)c1ccccc1F 11a_100000220357_100000210414 [0,1,1,0,0,0|2,0,0]=4 564 B13R1.696 CCC(=O)N(C)c1ccccc1F 1626a_100000220357_100000210414 [0,1,1,0,0,0|2,0,0]=4 565 B13R1.696 CCC(=O)N(C)c1ccccc1F 22a_100000220357_100000210414 [0,1,1,0,0,0|2,0,0]=4 566 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,1,1,0,0,0|1,0,0]=3 567 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,1,1,0,0,0|2,0,0]=4 568 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,1,1,0,0,0|2,0,0]=4 569 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,1,1,0,0,0|2,0,0]=4 570 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,1,1,0,0,0|1,1,0]=4 571 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,1,1,0,0,0|2,0,0]=4 572 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,1,1,0,0,0|1,1,0]=4 573 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,1,1,0,0,0|2,0,0]=4 574 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000185746 [0,1,1,0,0,0|2,0,0]=4 575 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000185746 [0,1,1,0,0,0|2,0,0]=4 576 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000185746 [0,1,1,0,0,0|2,0,0]=4 577 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000185746 [0,1,1,0,0,0|2,0,0]=4 578 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000185746 [0,1,1,0,0,0|2,0,0]=4 579 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000185746 [0,1,1,0,0,0|2,0,0]=4 580 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000185746 [0,1,1,0,0,0|2,0,0]=4 581 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000185746 [0,1,1,0,0,0|2,0,0]=4 582 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000185746 [0,1,1,0,0,0|2,0,0]=4 583 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000185746 [0,1,1,0,0,0|2,0,0]=4 584 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000185746 [0,1,1,0,0,0|2,0,0]=4 585 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100000210414 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000210414 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000210414 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 11a_100000211023_100000210414 [0,1,1,0,0,0|2,0,0]=4 589 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000210414 [0,1,1,0,0,0|2,0,0]=4 590 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000210414 [0,1,1,0,0,0|2,0,0]=4 591 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 527a_100000211023_100000210414 [0,1,1,0,0,0|2,0,0]=4 592 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100000210414 [0,1,1,0,0,0|2,0,0]=4 593 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000210414 [0,1,1,0,0,0|2,0,0]=4 594 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000210414 [0,1,1,0,0,0|2,0,0]=4 595 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 11a_100000210720_100000210414 [0,1,1,0,0,0|2,0,0]=4 596 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000210414 [0,1,1,0,0,0|2,0,0]=4 597 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000210414 [0,1,1,0,0,0|2,0,0]=4 598 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 11a_100011215594_100000210414 [0,1,1,0,0,0|2,0,0]=4 599 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000210414 [0,1,1,0,0,0|2,0,0]=4 600 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000210414 [0,1,1,0,0,0|2,0,0]=4 601 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000210414 [0,1,1,0,0,0|2,0,0]=4 602 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 527a_100000759473_100000210414 [0,1,1,0,0,0|2,0,0]=4 603 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,1,1,0,0,0|2,0,0]=4 604 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,1,1,0,0,0|2,0,0]=4 605 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,1,1,0,0,0|2,0,0]=4 606 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,1,1,0,0,0|2,0,0]=4 610 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,1,1,0,0,0|2,0,0]=4 611 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,1,1,0,0,0|2,0,0]=4 612 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,1,1,0,0,0|2,0,0]=4 613 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,1,1,0,0,0|2,0,0]=4 614 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,1,1,0,0,0|2,0,0]=4 615 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,1,1,0,0,0|2,0,0]=4 616 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,1,1,0,0,0|2,0,0]=4 617 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Br 2430a_100000211012_100102657272 [0,1,1,0,0,0|1,1,0]=4 626 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)C 2430a_100000210942_100102657272 [0,1,1,0,0,0|1,1,0]=4 627 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Cl 2430a_100000752454_100102657272 [0,1,1,0,0,0|1,1,0]=4 628 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)F 2430a_100000738039_100102657272 [0,1,1,0,0,0|1,1,0]=4 629 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)I 2430a_100000750455_100102657272 [0,1,1,0,0,0|1,1,0]=4 630 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)O 2430a_100012001276_100102657272 [0,1,1,0,0,0|1,1,0]=4 631 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Br 2430a_100000211769_100102657272 [0,1,1,0,0,0|2,0,0]=4 632 B13R1.2679 CNC(=O)Nc1ccc(cc1C)C 2430a_100000736561_100102657272 [0,1,1,0,0,0|2,0,0]=4 633 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Cl 2430a_100000210418_100102657272 [0,1,1,0,0,0|2,0,0]=4 634 B13R1.2679 CNC(=O)Nc1ccc(cc1C)F 2430a_100000211637_100102657272 [0,1,1,0,0,0|2,0,0]=4 635 B13R1.2679 CNC(=O)Nc1ccc(cc1C)I 2430a_100000184554_100102657272 [0,1,1,0,0,0|2,0,0]=4 636 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,1,1,0,0,0|2,0,0]=4 637 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100102657272 [0,1,1,0,0,0|1,1,0]=4 638 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100102657272 [0,1,1,0,0,0|1,1,0]=4 639 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100102657272 [0,1,1,0,0,0|1,1,0]=4 640 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100102657272 [0,1,1,0,0,0|1,1,0]=4 641 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100102657272 [0,1,1,0,0,0|1,1,0]=4 642 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,1,1,0,0,0|1,1,0]=4 643 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Br 2430a_100000210722_100102657272 [0,1,1,0,0,0|1,0,0]=3 644 B13R1.2679 CNC(=O)Nc1ccc(cc1F)C 2430a_100000211023_100102657272 [0,1,1,0,0,0|1,0,0]=3 645 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Cl 2430a_100000211020_100102657272 [0,1,1,0,0,0|1,0,0]=3 646 B13R1.2679 CNC(=O)Nc1ccc(cc1F)F 2430a_100000210720_100102657272 [0,1,1,0,0,0|1,0,0]=3 647 B13R1.2679 CNC(=O)Nc1ccc(cc1F)I 2430a_100011215594_100102657272 [0,1,1,0,0,0|1,0,0]=3 648 B13R1.2679 CNC(=O)Nc1ccc(cc1F)O 2430a_100000759473_100102657272 [0,1,1,0,0,0|1,0,0]=3 649 B13R1.2679 CNC(=O)Nc1ccc(cc1I)C 2430a_100011356834_100102657272 [0,1,1,0,0,0|1,1,0]=4 650 B13R1.2679 CNC(=O)Nc1ccc(cc1I)Cl 2430a_100000761889_100102657272 [0,1,1,0,0,0|1,1,0]=4 651 B13R1.2679 CNC(=O)Nc1ccc(cc1I)F 2430a_100000760547_100102657272 [0,1,1,0,0,0|1,1,0]=4 652 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 2430a_100010002754_100102657272 [0,1,1,0,0,0|1,1,0]=4 653 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 512a_100010002754_100102657272 [0,1,1,0,0,0|1,1,0]=4 654 B13R1.2679 CNC(=O)Nc1ccc(cc1I)O 2430a_100010084370_100102657272 [0,1,1,0,0,0|1,1,0]=4 655 B13R1.2679 CNC(=O)Nc1ccc(cc1O)C 2430a_100000211527_100102657272 [0,1,1,0,0,0|2,0,0]=4 656 B13R1.2679 CNC(=O)Nc1ccc(cc1O)Cl 2430a_100000185728_100102657272 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.2679 CNC(=O)Nc1ccc(cc1O)F 2430a_100000753323_100102657272 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.2679 CNC(=O)Nc1ccc(cc1O)I 2430a_100000057187_100102657272 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,1,1,0,0,0|2,0,0]=4 663 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,1,1,0,0,0|2,0,0]=4 664 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,1,1,0,0,0|2,0,0]=4 665 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,1,1,0,0,0|2,0,0]=4 666 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,1,1,0,0,0|2,0,0]=4 667 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,1,1,0,0,0|2,0,0]=4 668 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,1,1,0,0,0|2,0,0]=4 669 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,1,1,0,0,0|1,1,0]=4 670 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,1,1,0,0,0|2,0,0]=4 671 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,1,1,0,0,0|1,0,0]=3 672 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,1,1,0,0,0|1,0,0]=3 673 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,1,1,0,0,0|2,0,0]=4 674 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,1,1,0,0,0|2,0,0]=4 676 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,1,1,0,0,0|2,0,0]=4 677 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,1,1,0,0,0|2,0,0]=4 678 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,1,1,0,0,0|2,0,0]=4 679 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,1,1,0,0,0|1,1,0]=4 680 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,1,1,0,0,0|1,1,0]=4 681 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,1,1,0,0,0|1,1,0]=4 682 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,1,1,0,0,0|1,1,0]=4 683 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,1,1,0,0,0|1,1,0]=4 684 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,1,1,0,0,0|1,1,0]=4 685 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,1,1,0,0,0|1,1,0]=4 686 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,1,1,0,0,0|1,0,0]=3 687 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,1,1,0,0,0|1,0,0]=3 688 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,1,1,0,0,0|1,0,0]=3 689 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,1,1,0,0,0|1,0,0]=3 690 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,1,1,0,0,0|1,0,0]=3 691 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,1,1,0,0,0|1,0,0]=3 692 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,1,1,0,0,0|1,1,0]=4 693 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,1,1,0,0,0|1,1,0]=4 694 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,1,1,0,0,0|1,1,0]=4 695 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,1,1,0,0,0|2,0,0]=4 696 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,1,1,0,0,0|2,0,0]=4 697 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,1,1,0,0,0|2,0,0]=4 698 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,1,1,0,0,0|2,0,0]=4 699 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,1,1,0,0,0|2,0,0]=4 700 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,1,1,0,0,0|2,0,0]=4 701 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,1,1,0,0,0|2,0,0]=4 702 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,1,1,0,0,0|2,0,0]=4 703 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,1,1,0,0,0|2,0,0]=4 704 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,1,1,0,0,0|2,0,0]=4 705 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000185746 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000185746 [0,1,1,0,0,0|2,0,0]=4 707 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000185746 [0,1,1,0,0,0|2,0,0]=4 708 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000185746 [0,1,1,0,0,0|2,0,0]=4 709 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000185746 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000185746 [0,1,1,0,0,0|2,0,0]=4 711 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000185746 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000185746 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000185746 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000185746 [0,1,1,0,0,0|2,0,0]=4 715 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100000210414 [0,1,1,0,0,0|2,0,0]=4 716 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000210414 [0,1,1,0,0,0|2,0,0]=4 717 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000210414 [0,1,1,0,0,0|2,0,0]=4 718 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 11a_100000211285_100000210414 [0,1,1,0,0,0|2,0,0]=4 719 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000210414 [0,1,1,0,0,0|2,0,0]=4 720 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000210414 [0,1,1,0,0,0|2,0,0]=4 721 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 527a_100000211285_100000210414 [0,1,1,0,0,0|2,0,0]=4 722 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100000210414 [0,1,1,0,0,0|2,0,0]=4 723 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000210414 [0,1,1,0,0,0|2,0,0]=4 724 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 11a_100000210742_100000210414 [0,1,1,0,0,0|2,0,0]=4 725 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000210414 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000210414 [0,1,1,0,0,0|2,0,0]=4 727 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 11a_100011464823_100000210414 [0,1,1,0,0,0|2,0,0]=4 728 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000210414 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210414 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210414 [0,1,1,0,0,0|2,0,0]=4 731 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210414 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,1,1,0,0,0|2,0,0]=4 733 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,1,1,0,0,0|2,0,0]=4 734 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,1,1,0,0,0|2,0,0]=4 735 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,1,1,0,0,0|2,0,0]=4 736 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,1,1,0,0,0|2,0,0]=4 737 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,1,1,0,0,0|2,0,0]=4 738 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,1,1,0,0,0|2,0,0]=4 739 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,1,1,0,0,0|2,0,0]=4 740 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,1,1,0,0,0|2,0,0]=4 741 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,1,1,0,0,0|2,0,0]=4 742 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,1,1,0,0,0|2,0,0]=4 743 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,1,1,0,0,0|2,0,0]=4 744 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,1,1,0,0,0|2,0,0]=4 748 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)Br 2430a_100000737762_100102657272 [0,1,1,0,0,0|1,1,0]=4 749 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [0,1,1,0,0,0|1,1,0]=4 750 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)F 2430a_100000687223_100102657272 [0,1,1,0,0,0|1,1,0]=4 751 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 2430a_100000750456_100102657272 [0,1,1,0,0,0|1,1,0]=4 752 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 512a_100000750456_100102657272 [0,1,1,0,0,0|1,1,0]=4 753 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,1,1,0,0,0|1,1,0]=4 754 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 2430a_100000741167_100102657272 [0,1,1,0,0,0|2,0,0]=4 755 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 512a_100000741167_100102657272 [0,1,1,0,0,0|2,0,0]=4 756 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [0,1,1,0,0,0|2,0,0]=4 757 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl 2430a_100000211374_100102657272 [0,1,1,0,0,0|2,0,0]=4 758 B13R1.2872 CNC(=O)Nc1cc(ccc1C)F 2430a_100000211107_100102657272 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 2430a_100000761890_100102657272 [0,1,1,0,0,0|2,0,0]=4 760 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 512a_100000761890_100102657272 [0,1,1,0,0,0|2,0,0]=4 761 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,1,1,0,0,0|2,0,0]=4 762 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,1,1,0,0,0|1,1,0]=4 763 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,1,1,0,0,0|1,1,0]=4 764 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,1,1,0,0,0|1,1,0]=4 765 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,1,1,0,0,0|1,1,0]=4 766 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,1,1,0,0,0|1,1,0]=4 767 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 2430a_100000740924_100102657272 [0,1,1,0,0,0|1,0,0]=3 768 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 512a_100000740924_100102657272 [0,1,1,0,0,0|1,0,0]=3 769 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [0,1,1,0,0,0|1,0,0]=3 770 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Cl 2430a_100000212115_100102657272 [0,1,1,0,0,0|1,0,0]=3 771 B13R1.2872 CNC(=O)Nc1cc(ccc1F)F 2430a_100000210742_100102657272 [0,1,1,0,0,0|1,0,0]=3 772 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 2430a_100011464823_100102657272 [0,1,1,0,0,0|1,0,0]=3 773 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 512a_100011464823_100102657272 [0,1,1,0,0,0|1,0,0]=3 774 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,1,1,0,0,0|1,0,0]=3 775 B13R1.2872 CNC(=O)Nc1cc(ccc1I)Br 512a_100000743836_100102657272 [0,1,1,0,0,0|1,1,0]=4 776 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [0,1,1,0,0,0|1,1,0]=4 777 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 2430a_100011218093_100102657272 [0,1,1,0,0,0|1,1,0]=4 778 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 512a_100011218093_100102657272 [0,1,1,0,0,0|1,1,0]=4 779 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,1,1,0,0,0|2,0,0]=4 780 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,1,1,0,0,0|2,0,0]=4 781 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,1,1,0,0,0|2,0,0]=4 782 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,1,1,0,0,0|2,0,0]=4 785 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,1,1,0,0,0|2,0,0]=4 786 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,1,1,0,0,0|1,1,0]=4 787 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,1,1,0,0,0|1,0,0]=3 788 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,1,1,0,0,0|1,0,0]=3 789 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,1,0,0,0|2,0,0]=4 790 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,1,0,0,0|2,0,0]=4 791 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,1,1,0,0,0|2,0,0]=4 792 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,1,1,0,0,0|2,0,0]=4 794 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,1,1,0,0,0|2,0,0]=4 795 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,1,1,0,0,0|2,0,0]=4 796 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,1,1,0,0,0|2,0,0]=4 797 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,1,1,0,0,0|2,0,0]=4 801 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,1,1,0,0,0|2,0,0]=4 802 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,1,1,0,0,0|2,0,0]=4 803 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,1,1,0,0,0|2,0,0]=4 804 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,1,1,0,0,0|1,1,0]=4 805 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,1,1,0,0,0|1,1,0]=4 806 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,1,1,0,0,0|1,1,0]=4 807 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,1,1,0,0,0|1,0,0]=3 808 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,1,1,0,0,0|1,0,0]=3 809 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,1,1,0,0,0|1,0,0]=3 810 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,1,1,0,0,0|1,0,0]=3 811 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,1,1,0,0,0|1,1,0]=4 812 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,1,1,0,0,0|2,0,0]=4 814 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,1,1,0,0,0|2,0,0]=4 815 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,1,1,0,0,0|2,0,0]=4 816 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,1,1,0,0,0|2,0,0]=4 817 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,1,1,0,0,0|2,0,0]=4 818 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,1,1,0,0,0|2,0,0]=4 819 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,1,1,0,0,0|2,0,0]=4 820 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100000185746 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000185746 [0,1,1,0,0,0|2,0,0]=4 822 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000185746 [0,1,1,0,0,0|2,0,0]=4 823 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000185746 [0,1,1,0,0,0|2,0,0]=4 824 B13R1.4928 C=CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100000185746 [0,1,1,0,0,0|2,0,0]=4 825 B13R1.4928 C=CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000185746 [0,1,1,0,0,0|2,0,0]=4 826 B13R1.4928 C=CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100000185746 [0,1,1,0,0,0|2,0,0]=4 827 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 11a_100000684712_100000210414 [0,1,1,0,0,0|2,0,0]=4 828 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100000210414 [0,1,1,0,0,0|2,0,0]=4 829 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100000210414 [0,1,1,0,0,0|2,0,0]=4 830 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000210414 [0,1,1,0,0,0|2,0,0]=4 831 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 11a_100000766463_100000210414 [0,1,1,0,0,0|2,0,0]=4 832 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000210414 [0,1,1,0,0,0|2,0,0]=4 833 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 22a_100000766463_100000210414 [0,1,1,0,0,0|2,0,0]=4 834 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 11a_100000210704_100000210414 [0,1,1,0,0,0|2,0,0]=4 835 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 1626a_100000210704_100000210414 [0,1,1,0,0,0|2,0,0]=4 836 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 22a_100020591140_100000210414 [0,1,1,0,0,0|2,0,0]=4 837 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 527a_100020591140_100000210414 [0,1,1,0,0,0|2,0,0]=4 838 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 11a_100000042321_100000210414 [0,1,1,0,0,0|2,0,0]=4 839 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 1626a_100000042321_100000210414 [0,1,1,0,0,0|2,0,0]=4 840 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 11a_106832991635_100010172741 [0,1,1,0,0,0|2,0,0]=4 841 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 1626a_100102657272_100010172741 [0,1,1,0,0,0|2,0,0]=4 842 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 240690a_100102657272_100010172741 [0,1,1,0,0,0|2,0,0]=4 843 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 527a_100102657272_100010172741 [0,1,1,0,0,0|2,0,0]=4 844 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 11a_106832991635_100000185183 [0,1,1,0,0,0|2,0,0]=4 845 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 1626a_100102657272_100000185183 [0,1,1,0,0,0|2,0,0]=4 846 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 240690a_100102657272_100000185183 [0,1,1,0,0,0|2,0,0]=4 847 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 527a_100102657272_100000185183 [0,1,1,0,0,0|2,0,0]=4 848 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 11a_106832991635_100000684726 [0,1,1,0,0,0|2,0,0]=4 849 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 1626a_100102657272_100000684726 [0,1,1,0,0,0|2,0,0]=4 850 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 240690a_100102657272_100000684726 [0,1,1,0,0,0|2,0,0]=4 851 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 527a_100102657272_100000684726 [0,1,1,0,0,0|2,0,0]=4 852 B13R1.4928 CNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100102657272 [0,1,1,0,0,0|1,1,0]=4 853 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [0,1,1,0,0,0|1,1,0]=4 854 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100102657272 [0,1,1,0,0,0|2,0,0]=4 855 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 512a_106832991638_100000185769 [0,1,1,0,0,0|2,0,0]=4 856 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [0,1,1,0,0,0|1,1,0]=4 857 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [0,1,1,0,0,0|1,0,0]=3 858 B13R1.4928 CNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100102657272 [0,1,1,0,0,0|1,0,0]=3 859 B13R1.4928 CNC(=O)Nc1c(cccc1F)F 2430a_100000210704_100102657272 [0,1,1,0,0,0|1,0,0]=3 860 B13R1.4928 CNC(=O)Nc1c(cccc1F)O 2430a_100020591140_100102657272 [0,1,1,0,0,0|1,0,0]=3 861 B13R1.4928 CNC(=O)Nc1c(cccc1I)Br 512a_100010146558_100102657272 [0,1,1,0,0,0|1,1,0]=4 862 B13R1.4928 CNC(=O)Nc1c(cccc1I)F 2430a_100000042321_100102657272 [0,1,1,0,0,0|1,0,0]=3 863 B13R1.4928 CNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100102657272 [0,1,1,0,0,0|2,0,0]=4 864 B13R1.4928 Cc1cccc(c1CC(=O)CO)F 1458a_100000210174_100009814554 [0,1,1,0,0,0|2,0,0]=4 865 B13R1.4928 Cc1cccc(c1NC(=O)CO)C 22a_100000185769_100000210174 [0,1,1,0,0,0|2,0,0]=4 866 B13R1.4928 Cc1cccc(c1NC(=O)CO)F 22a_100000766463_100000210174 [0,1,1,0,0,0|1,0,0]=3 867 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 22a_100000743429_100000210174 [0,1,1,0,0,0|2,0,0]=4 868 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 527a_100000743429_100000210174 [0,1,1,0,0,0|2,0,0]=4 869 B13R1.4928 O=C(CO)Cc1c(cccc1Br)F 1458a_100000210174_100000696636 [0,1,1,0,0,0|2,0,0]=4 870 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)F 1458a_100000210174_100000187852 [0,1,1,0,0,0|2,0,0]=4 871 B13R1.4928 O=C(CO)Cc1c(cccc1F)F 1458a_100000210174_100000698325 [0,1,1,0,0,0|2,0,0]=4 872 B13R1.4928 O=C(CO)Cc1c(cccc1I)F 1458a_100000210174_100010149602 [0,1,1,0,0,0|2,0,0]=4 873 B13R1.4928 O=C(CO)Nc1c(cccc1Br)O 527a_100011934926_100000210174 [0,1,1,0,0,0|1,1,0]=4 874 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 22a_100012022510_100000210174 [0,1,1,0,0,0|1,1,0]=4 875 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 527a_100012022510_100000210174 [0,1,1,0,0,0|1,1,0]=4 876 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 22a_100020591140_100000210174 [0,1,1,0,0,0|1,0,0]=3 877 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 527a_100020591140_100000210174 [0,1,1,0,0,0|1,0,0]=3 878 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 22a_200000049512_100000210174 [0,1,1,0,0,0|1,1,0]=4 879 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 527a_200000049512_100000210174 [0,1,1,0,0,0|1,1,0]=4 880 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 22a_100011995820_100000210174 [0,1,1,0,0,0|2,0,0]=4 881 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 527a_100011995820_100000210174 [0,1,1,0,0,0|2,0,0]=4 882 B13R1.1619 C=CCNc1c(cccc1CO)F 34a_100000692437_100015514636 [0,1,1,0,0,0|2,0,0]=4 883 B13R1.1619 COc1cccc(c1NCC=O)F 34a_100000686744_200009817547 [0,1,1,0,0,0|2,0,0]=4 884 B13R1.1619 Cc1cccc(c1NCC=O)CO 34a_100011215590_200009817547 [0,1,1,0,0,0|2,0,0]=4 885 B13R1.1619 N#Cc1cccc(c1NCC=O)F 2230a_100011219409_200015260668 [0,1,1,0,0,0|2,0,0]=4 886 B13R1.1619 N#Cc1cccc(c1NCC=O)F 34a_100011219409_200009817547 [0,1,1,0,0,0|2,0,0]=4 887 B13R1.1619 O=CCNc1c(cccc1CO)Cl 34a_100012182729_200009817547 [0,1,1,0,0,0|1,1,0]=4 888 B13R1.1619 O=CCNc1c(cccc1CO)F 34a_100000692437_200009817547 [0,1,1,0,0,0|1,0,0]=3 889 B13R1.1619 O=CCOc1c(cccc1CO)F 34a_100011997349_200009817547 [0,1,1,0,0,0|2,0,0]=4 890 B13R1.1619 O=CCOc1c(cccc1CO)F 7a_100011997349_200015260668 [0,1,1,0,0,0|2,0,0]=4 891 B13R1.1619 O=CCSc1c(cccc1CO)F 62a_100012351117_200015260668 [0,1,1,0,0,0|2,0,0]=4 892 B13R1.1619 O=CCSc1c(cccc1CO)F 62a_200015260668_100012351117 [0,1,1,0,0,0|2,0,0]=4 893 B13R1.2135 CC(=O)Nc1c(cccc1C#N)F 11a_100011219409_100015343762 [0,1,1,0,0,0|2,0,0]=4 894 B13R1.2135 CC(=O)Nc1c(cccc1C#N)F 1626a_100011219409_100015343762 [0,1,1,0,0,0|2,0,0]=4 895 B13R1.2135 CC(=O)Nc1c(cccc1CO)C 22a_100011215590_100000070787 [0,1,1,0,0,0|2,0,0]=4 896 B13R1.2135 COc1cccc(c1NC(=O)C)F 11a_100000686744_100015343762 [0,1,1,0,0,0|2,0,0]=4 897 B13R1.2135 COc1cccc(c1NC(=O)C)F 1626a_100000686744_100015343762 [0,1,1,0,0,0|2,0,0]=4 898 B13R1.2135 COc1cccc(c1NC(=O)C)F 22a_100000686744_100000070787 [0,1,1,0,0,0|2,0,0]=4 899 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [1,1,0,0,0,0|2,0,0]=4 900 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [1,1,0,0,0,0|1,1,0]=4 901 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [1,1,0,0,0,0|1,1,0]=4 902 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [1,1,0,0,0,0|2,0,0]=4 903 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [1,1,0,0,0,0|2,0,0]=4 904 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [1,1,0,0,0,0|1,0,0]=3 905 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [1,1,0,0,0,0|1,0,1]=4 906 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [1,1,0,0,0,0|2,0,0]=4 907 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [1,1,0,0,0,0|1,0,0]=3 908 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [1,1,0,0,0,0|1,0,1]=4 909 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [1,1,0,0,0,0|2,0,0]=4 910 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [1,1,0,0,0,0|2,0,0]=4 911 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [1,1,0,0,0,0|2,0,0]=4 912 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [1,1,0,0,0,0|1,0,1]=4 913 B13R2.581 C=Cc1cccc2c1CC(=O)N2 271570a_100011290941_100009816812 [1,1,0,0,0,0|2,0,0]=4 914 B13R2.581 C=Cc1cccc2c1NC(=O)C2 271570a_100011290941_100000767046 [1,1,0,0,0,0|2,0,0]=4 915 B13R2.581 C=Cc1cccc2c1oc(=O)[nH]2 271570a_100011290941_100012360093 [1,1,0,0,0,0|2,0,0]=4 916 B13R2.581 C=Cc1ccnc2c1[nH]c(=O)[nH]2 271570a_100011290941_100009840862 [1,1,0,0,0,0|2,0,0]=4 917 B13R2.581 CSc1cccc2c1CC(=O)N2 62a_200000210301_100009816812 [1,1,0,0,0,0|2,0,0]=4 918 B13R2.581 CSc1cccc2c1NC(=O)C2 62a_200000210301_100000767046 [1,1,0,0,0,0|2,0,0]=4 919 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)N2 62a_200025704644_100009816812 [1,1,0,0,0,0|2,0,0]=4 920 B13R2.581 [13CH3]Sc1cccc2c1NC(=O)C2 62a_200025704644_100000767046 [1,1,0,0,0,0|2,0,0]=4 921 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [1,1,0,0,0,0|2,0,0]=4 922 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [1,1,0,0,0,0|1,0,0]=3 923 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)cc2O 271570a_100011290941_200010201894 [0,1,0,0,0,1|2,0,0]=4 924 B15R2.22370 C=Cc1ccc2c(c1F)NC(=O)C2=O 271570a_100011290941_100011000547 [0,2,0,0,0,0|1,0,1]=4 925 B15R2.22370 CSc1ccc2c(c1F)NC(=O)C2=O 62a_100011000547_200000210301 [0,2,0,0,0,0|1,0,1]=4 926 B15R2.22370 CSc1ccc2c(c1F)NC(=O)C2=O 62a_200000210301_100011000547 [0,2,0,0,0,0|1,0,1]=4 927 B15R2.22370 [13CH3]Sc1ccc2c(c1F)NC(=O)C2=O 62a_100011000547_200025704644 [0,2,0,0,0,0|1,0,1]=4 928 B15R2.22370 [13CH3]Sc1ccc2c(c1F)NC(=O)C2=O 62a_200025704644_100011000547 [0,2,0,0,0,0|1,0,1]=4 929 B15R2.2724 C=Cc1cc(c2c(c1)C(=O)C(=O)N2)F 271570a_100011290941_200000754225 [0,2,0,0,0,0|1,0,1]=4 930 B15R2.2724 CSc1cc(c2c(c1)C(=O)C(=O)N2)F 62a_200000210301_200000754225 [0,2,0,0,0,0|1,0,1]=4 931 B15R2.2724 CSc1cc(c2c(c1)C(=O)C(=O)N2)F 62a_200000754225_200000210301 [0,2,0,0,0,0|1,0,1]=4 932 B15R2.2724 [13CH3]Sc1cc(c2c(c1)C(=O)C(=O)N2)F 62a_200000754225_200025704644 [0,2,0,0,0,0|1,0,1]=4 933 B15R2.2724 [13CH3]Sc1cc(c2c(c1)C(=O)C(=O)N2)F 62a_200025704644_200000754225 [0,2,0,0,0,0|1,0,1]=4 934 B15R2.11939 O=C1Nc2c(cccc2C1=O)SCF 62a_100000183292_100015361967 [0,2,0,0,0,0|1,0,1]=4 935 B13R1.147 CN(CC(=O)N)c1cc(ccn1)F 27a_100000739694_100000764206 [0,0,1,0,0,1|2,0,0]=4 936 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000747473 [0,0,1,0,0,1|1,1,0]=4 937 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000187820 [0,0,1,0,0,1|1,1,0]=4 938 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 34a_100000219648_100000187820 [0,0,1,0,0,1|1,1,0]=4 939 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000747473 [0,0,1,0,0,1|1,1,0]=4 940 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000187820 [0,0,1,0,0,1|1,1,0]=4 941 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000187820 [0,0,1,0,0,1|1,1,0]=4 942 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 2230a_100020633736_100000747473 [0,0,1,0,0,1|1,0,0]=3 943 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 269982a_100020633736_100000187820 [0,0,1,0,0,1|1,0,0]=3 944 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 34a_100020633736_100000187820 [0,0,1,0,0,1|1,0,0]=3 945 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 2230a_100000221217_100000747473 [0,0,1,0,0,1|1,1,0]=4 946 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 269982a_100000221217_100000187820 [0,0,1,0,0,1|1,1,0]=4 947 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 34a_100000221217_100000187820 [0,0,1,0,0,1|1,1,0]=4 948 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [0,0,1,0,0,1|2,0,0]=4 949 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [0,0,1,0,0,1|2,0,0]=4 950 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [0,0,1,0,0,1|2,0,0]=4 951 B13R1.147 CN(CC(=O)N)c1cccc(n1)F 27a_100000739694_100009815982 [0,0,1,0,0,1|2,0,0]=4 952 B13R1.147 CN(CC(=O)N)c1ccnc(c1)F 27a_100000739694_100009816116 [0,0,1,0,0,1|2,0,0]=4 953 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 269982a_100020633736_100020667443 [0,0,1,0,0,1|2,0,0]=4 954 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 34a_100020633736_100020667443 [0,0,1,0,0,1|2,0,0]=4 955 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,0,1,0,0,1|2,0,0]=4 956 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,0,1,0,0,1|2,0,0]=4 957 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,0,1,0,0,1|2,0,0]=4 958 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,0,1,0,0,1|1,0,1]=4 959 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,0,1,0,0,1|2,0,0]=4 960 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,0,1,0,0,1|2,0,0]=4 961 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,0,1,0,0,1|2,0,0]=4 962 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,0,1,0,0,1|2,0,0]=4 963 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,0,1,0,0,1|2,0,0]=4 964 B13R1.148 CC(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702099 [0,0,1,0,0,1|2,0,0]=4 965 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,0,1,0,0,1|2,0,0]=4 966 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,0,1,0,0,1|2,0,0]=4 967 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702099 [0,0,1,0,0,1|2,0,0]=4 968 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000702099_100000685547 [0,0,1,0,0,1|2,0,0]=4 969 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,0,1,0,0,1|1,0,1]=4 970 B13R1.148 NC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100009813875 [0,0,1,0,0,1|2,0,0]=4 971 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100009813875 [0,0,1,0,0,1|2,0,0]=4 972 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100009813875 [0,0,1,0,0,1|2,0,0]=4 973 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100009813875 [0,0,1,0,0,1|2,0,0]=4 974 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100009813875_100000685547 [0,0,1,0,0,1|2,0,0]=4 975 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,0,1,0,0,1|2,0,0]=4 976 B13R1.528 C=CC(=O)NCc1ccccc1F 1626a_100000174869_100000185746 [0,0,1,0,0,1|2,0,0]=4 977 B13R1.528 C=CC(=O)NCc1ccccc1F 240690a_100000174869_200121576911 [0,0,1,0,0,1|2,0,0]=4 978 B13R1.528 C=CC(=O)NNc1ccccc1F 22a_100000239246_100000185746 [0,0,1,0,0,1|2,0,0]=4 979 B13R1.528 CC(=NNc1ccccc1F)CO 4a_100000239246_100000211253 [0,0,1,0,0,1|2,0,0]=4 980 B13R1.528 CCC(=O)NCc1ccccc1F 11a_100000174869_100000210414 [0,0,1,0,0,1|2,0,0]=4 981 B13R1.528 CCC(=O)NCc1ccccc1F 1626a_100000174869_100000210414 [0,0,1,0,0,1|2,0,0]=4 982 B13R1.528 CCC(=O)NCc1ccccc1F 240690a_100000174869_100000210414 [0,0,1,0,0,1|2,0,0]=4 983 B13R1.528 CCC(=O)NCc1ccccc1F 527a_100000174869_100000210414 [0,0,1,0,0,1|2,0,0]=4 984 B13R1.528 CCC(=O)NNc1ccccc1F 22a_100000239246_100000210414 [0,0,1,0,0,1|2,0,0]=4 985 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,0,1,0,0,1|2,0,0]=4 986 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,0,1,0,0,1|2,0,0]=4 987 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,0,1,0,0,1|2,0,0]=4 988 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,0,1,0,0,1|2,0,0]=4 989 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,0,1,0,0,1|2,0,0]=4 990 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,0,1,0,0,1|2,0,0]=4 991 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,0,1,0,0,1|2,0,0]=4 992 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,0,1,0,0,1|1,1,0]=4 993 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,0,1,0,0,1|2,0,0]=4 994 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,0,1,0,0,1|1,1,0]=4 995 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,0,1,0,0,1|1,0,0]=3 996 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,0,1,0,0,1|1,1,0]=4 997 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,0,1,0,0,1|2,0,0]=4 998 B13R1.528 CNC(=O)CNc1ccncc1F 27a_100000693194_100000035921 [0,0,1,0,0,1|2,0,0]=4 999 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,0,1,0,0,1|2,0,0]=4 1000 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,0,1,0,0,1|2,0,0]=4 1001 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,0,1,0,0,1|2,0,0]=4 1002 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,0,1,0,0,1|2,0,0]=4 1003 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,0,1,0,0,1|2,0,0]=4 1004 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,0,1,0,0,1|2,0,0]=4 1005 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,0,1,0,0,1|2,0,0]=4 1006 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,0,1,0,0,1|2,0,0]=4 1007 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,0,1,0,0,1|2,0,0]=4 1008 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,0,1,0,0,1|2,0,0]=4 1009 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,0,1,0,0,1|2,0,0]=4 1010 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,0,1,0,0,1|1,1,0]=4 1011 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,0,1,0,0,1|1,1,0]=4 1012 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,0,1,0,0,1|1,1,0]=4 1013 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,0,1,0,0,1|1,1,0]=4 1014 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,0,1,0,0,1|1,1,0]=4 1015 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,0,1,0,0,1|1,1,0]=4 1016 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,0,1,0,0,1|2,0,0]=4 1017 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,0,1,0,0,1|2,0,0]=4 1018 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,0,1,0,0,1|2,0,0]=4 1019 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,0,1,0,0,1|2,0,0]=4 1020 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,0,1,0,0,1|2,0,0]=4 1021 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,0,1,0,0,1|2,0,0]=4 1022 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,0,1,0,0,1|1,1,0]=4 1023 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,0,1,0,0,1|1,1,0]=4 1024 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,0,1,0,0,1|1,1,0]=4 1025 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,0,1,0,0,1|1,1,0]=4 1026 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,0,1,0,0,1|1,1,0]=4 1027 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,0,1,0,0,1|1,0,0]=3 1028 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,0,1,0,0,1|1,0,0]=3 1029 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,0,1,0,0,1|1,0,0]=3 1030 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,0,1,0,0,1|1,0,0]=3 1031 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,0,1,0,0,1|1,0,0]=3 1032 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,0,1,0,0,1|1,0,0]=3 1033 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,0,1,0,0,1|1,1,0]=4 1034 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,0,1,0,0,1|1,1,0]=4 1035 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,0,1,0,0,1|1,1,0]=4 1036 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,0,1,0,0,1|1,1,0]=4 1037 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,0,1,0,0,1|1,1,0]=4 1038 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,0,1,0,0,1|1,1,0]=4 1039 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,0,1,0,0,1|2,0,0]=4 1040 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,0,1,0,0,1|2,0,0]=4 1041 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,0,1,0,0,1|2,0,0]=4 1042 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,0,1,0,0,1|2,0,0]=4 1043 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,0,1,0,0,1|2,0,0]=4 1044 B13R1.528 CNC(=O)NCc1cccnc1F 2708a_100000724633_106832991635 [0,0,1,0,0,1|2,0,0]=4 1045 B13R1.528 CNC(=O)NCc1cccnc1F 2708a_100102657272_100000724633 [0,0,1,0,0,1|2,0,0]=4 1046 B13R1.528 CNC(=O)NCc1cccnc1F 273464a_100000724633_100102657272 [0,0,1,0,0,1|2,0,0]=4 1047 B13R1.528 CNC(=O)NCc1cccnc1F 273464a_100102657272_100000724633 [0,0,1,0,0,1|2,0,0]=4 1048 B13R1.528 CNC(=O)NCc1cccnc1F 512a_100000724633_100102657272 [0,0,1,0,0,1|2,0,0]=4 1049 B13R1.528 CNC(=O)NCc1cccnc1F 512a_106832991638_100000724633 [0,0,1,0,0,1|2,0,0]=4 1050 B13R1.528 CNC(=O)NCc1ccncc1F 2708a_100011935246_106832991635 [0,0,1,0,0,1|2,0,0]=4 1051 B13R1.528 CNC(=O)NCc1ccncc1F 2708a_100102657272_100011935246 [0,0,1,0,0,1|2,0,0]=4 1052 B13R1.528 CNC(=O)NCc1ccncc1F 273464a_100011935246_100102657272 [0,0,1,0,0,1|2,0,0]=4 1053 B13R1.528 CNC(=O)NCc1ccncc1F 273464a_100102657272_100011935246 [0,0,1,0,0,1|2,0,0]=4 1054 B13R1.528 CNC(=O)NCc1ccncc1F 512a_100011935246_100102657272 [0,0,1,0,0,1|2,0,0]=4 1055 B13R1.528 CNC(=O)NCc1ccncc1F 512a_106832991638_100011935246 [0,0,1,0,0,1|2,0,0]=4 1056 B13R1.528 CNC(=O)NCc1ncccc1F 2708a_100000690088_106832991635 [0,0,1,0,0,1|2,0,0]=4 1057 B13R1.528 CNC(=O)NCc1ncccc1F 2708a_100102657272_100000690088 [0,0,1,0,0,1|2,0,0]=4 1058 B13R1.528 CNC(=O)NCc1ncccc1F 273464a_100000690088_100102657272 [0,0,1,0,0,1|2,0,0]=4 1059 B13R1.528 CNC(=O)NCc1ncccc1F 273464a_100102657272_100000690088 [0,0,1,0,0,1|2,0,0]=4 1060 B13R1.528 CNC(=O)NCc1ncccc1F 512a_100000690088_100102657272 [0,0,1,0,0,1|2,0,0]=4 1061 B13R1.528 CNC(=O)NCc1ncccc1F 512a_106832991638_100000690088 [0,0,1,0,0,1|2,0,0]=4 1062 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,0,1,0,0,1|1,1,0]=4 1063 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,0,1,0,0,1|1,1,0]=4 1064 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,0,1,0,0,1|2,0,0]=4 1065 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,0,1,0,0,1|2,0,0]=4 1066 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,0,1,0,0,1|1,1,0]=4 1067 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,0,1,0,0,1|1,1,0]=4 1068 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,0,1,0,0,1|1,0,0]=3 1069 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,0,1,0,0,1|1,0,0]=3 1070 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,0,1,0,0,1|1,1,0]=4 1071 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,0,1,0,0,1|1,1,0]=4 1072 B13R1.528 CNC(=O)NNc1ncccc1F 273464a_100102657272_100000717775 [0,0,1,0,0,1|2,0,0]=4 1073 B13R1.528 CNC(=O)NNc1ncccc1F 512a_106832991638_100000717775 [0,0,1,0,0,1|2,0,0]=4 1074 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,0,1,0,0,1|2,0,0]=4 1075 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,0,1,0,0,1|2,0,0]=4 1076 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,0,1,0,0,1|2,0,0]=4 1077 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,0,1,0,0,1|2,0,0]=4 1078 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,0,1,0,0,1|2,0,0]=4 1079 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,0,1,0,0,1|1,1,0]=4 1080 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,0,1,0,0,1|1,1,0]=4 1081 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,0,1,0,0,1|1,1,0]=4 1082 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,0,1,0,0,1|1,1,0]=4 1083 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,0,1,0,0,1|1,0,0]=3 1084 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,0,1,0,0,1|1,0,0]=3 1085 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,0,1,0,0,1|1,1,0]=4 1086 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,0,1,0,0,1|1,1,0]=4 1087 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,0,1,0,0,1|2,0,0]=4 1088 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,0,1,0,0,1|2,0,0]=4 1089 B13R1.528 O=C(CO)NCc1cccnc1F 240690a_100000724633_100000210174 [0,0,1,0,0,1|2,0,0]=4 1090 B13R1.528 O=C(CO)NCc1cccnc1F 527a_100000724633_100000210174 [0,0,1,0,0,1|2,0,0]=4 1091 B13R1.528 O=C(CO)NCc1ccncc1F 240690a_100011935246_100000210174 [0,0,1,0,0,1|2,0,0]=4 1092 B13R1.528 O=C(CO)NCc1ccncc1F 527a_100011935246_100000210174 [0,0,1,0,0,1|2,0,0]=4 1093 B13R1.528 O=C(CO)NCc1ncccc1F 240690a_100000690088_100000210174 [0,0,1,0,0,1|2,0,0]=4 1094 B13R1.528 O=C(CO)NCc1ncccc1F 527a_100000690088_100000210174 [0,0,1,0,0,1|2,0,0]=4 1095 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,0,1,0,0,1|1,1,0]=4 1096 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,0,1,0,0,1|1,1,0]=4 1097 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,0,1,0,0,1|1,0,0]=3 1098 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,0,1,0,0,1|1,1,0]=4 1099 B13R1.528 O=C(CO)NNc1ncccc1F 22a_100000717775_100000210174 [0,0,1,0,0,1|2,0,0]=4 1100 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,0,0,0,0,1|1,0,0]=3 1101 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,0,0,0,0,1|2,0,0]=4 1102 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [1,0,0,0,0,1|1,0,1]=4