0 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.45 C=C(C)CNC(C)c1ccncc1 2230a_100000181269_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.45 CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.45 CC(=O)NN=C(C)c1ccncc1 4a_100000189765_100000185792 [0,0,0,0,0,0|1,0,3]=4 12 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,0,0,0,0,0|1,0,2]=3 13 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,0,0,0,0,0|1,0,2]=3 14 B13R1.45 CC(=O)NNC(=O)c1ccccn1 22a_100000184044_100000070787 [0,0,0,0,0,0|2,0,2]=4 15 B13R1.45 CC(=O)NNC(=O)c1cccnc1 22a_100000189771_100000070787 [0,0,0,0,0,0|2,0,2]=4 16 B13R1.45 CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000070787 [0,0,0,0,0,0|0,0,2]=2 17 B13R1.45 CC(=O)NNC(=O)c1ccncn1 22a_100000084330_100000070787 [0,0,0,0,0,0|1,0,2]=3 18 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [0,0,0,0,0,0|2,0,2]=4 23 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.45 CC(NC[C@@H](C)O)c1ccncc1 2230a_100000181269_100009817552 [0,0,0,0,0,0|2,0,2]=4 26 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,0,0,0,0,0|2,0,1]=3 28 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,0,0,0,0,0|2,0,1]=3 29 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,0,0,0,0,0|2,0,1]=3 30 B13R1.45 CC(O)CNC(C)c1ccncc1 2230a_100000181269_100011218427 [0,0,0,0,0,0|2,0,2]=4 31 B13R1.45 CC(O)CNC(C)c1ccncc1 269862a_100000210904_100000185792 [0,0,0,0,0,0|2,0,2]=4 32 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,0,0,0,0|3,0,1]=4 33 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,0,0,0,0|3,0,1]=4 34 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,0,0,0,0|2,0,1]=3 36 B13R1.45 [13CH3]C(=O)CNC(=O)c1cccnc1 1458a_100000688122_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [1,0,0,0,0,0|2,0,1]=4 39 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [1,0,0,0,0,0|2,0,1]=4 40 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [1,0,0,0,0,0|0,0,0]=1 46 B12R1.30 CC=NNC(=O)c1ccncn1 4a_100000084330_200000210099 [1,0,0,0,0,0|1,0,0]=2 47 B12R1.30 CC=NNC(=O)c1cnccn1 4a_100000189795_200000210099 [1,0,0,0,0,0|3,0,0]=4 48 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [1,0,0,0,0,0|1,0,2]=4 53 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [1,0,0,0,0,0|2,0,1]=4 54 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [1,0,0,0,0,0|2,0,1]=4 56 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [1,0,0,0,0,0|0,0,3]=4 58 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [1,0,0,0,0,0|0,0,3]=4 59 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [1,0,0,0,0,0|1,0,2]=4 60 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [1,0,0,0,0,0|1,0,2]=4 61 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [1,0,0,0,0,0|2,0,1]=4 62 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 11a_100000765925_100000210664 [0,1,0,0,0,0|3,0,0]=4 63 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 1626a_100000765925_100000210664 [0,1,0,0,0,0|3,0,0]=4 64 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 240690a_100000765925_100000210664 [0,1,0,0,0,0|3,0,0]=4 65 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 527a_100000765925_100000210664 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 11a_100000765925_100000189346 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 1626a_100000765925_100000189346 [0,1,0,0,0,0|3,0,0]=4 68 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 240690a_100000765925_100000189346 [0,1,0,0,0,0|3,0,0]=4 69 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 527a_100000765925_100000189346 [0,1,0,0,0,0|3,0,0]=4 70 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 11a_100000765925_100000210390 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 1626a_100000765925_100000210390 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 240690a_100000765925_100000210390 [0,1,0,0,0,0|3,0,0]=4 73 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 527a_100000765925_100000210390 [0,1,0,0,0,0|3,0,0]=4 74 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 11a_100000765925_100000210950 [0,1,0,0,0,0|3,0,0]=4 75 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 1626a_100000765925_100000210950 [0,1,0,0,0,0|3,0,0]=4 76 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 240690a_100000765925_100000210950 [0,1,0,0,0,0|3,0,0]=4 77 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 527a_100000765925_100000210950 [0,1,0,0,0,0|3,0,0]=4 78 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 11a_100000765925_100000184098 [0,1,0,0,0,0|3,0,0]=4 79 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 1626a_100000765925_100000184098 [0,1,0,0,0,0|3,0,0]=4 80 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 240690a_100000765925_100000184098 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 527a_100000765925_100000184098 [0,1,0,0,0,0|3,0,0]=4 82 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)O 240690a_100000765925_100000183914 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)O 527a_100000765925_100000183914 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_200000210301 [0,1,0,0,0,0|2,0,1]=4 85 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)C 1458a_100000182573_200000210301 [0,1,0,0,0,0|2,0,1]=4 86 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_200000210301 [0,1,0,0,0,0|2,0,1]=4 87 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_200000210301 [0,1,0,0,0,0|2,0,1]=4 88 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Br 22a_100000189765_100000210664 [0,1,0,0,0,0|1,0,2]=4 89 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Br 22a_100000189783_100000070787 [0,1,0,0,0,0|1,0,2]=4 90 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)C 22a_100000189765_100000189346 [0,1,0,0,0,0|1,0,2]=4 91 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)C 22a_100000189845_100000070787 [0,1,0,0,0,0|1,0,2]=4 92 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Cl 22a_100000183659_100000070787 [0,1,0,0,0,0|1,0,2]=4 93 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Cl 22a_100000189765_100000210390 [0,1,0,0,0,0|1,0,2]=4 94 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)F 22a_100000189765_100000210950 [0,1,0,0,0,0|1,0,2]=4 95 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)F 22a_100000189798_100000070787 [0,1,0,0,0,0|1,0,2]=4 96 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)I 22a_100000186306_100000070787 [0,1,0,0,0,0|1,0,2]=4 97 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)I 22a_100000189765_100000184098 [0,1,0,0,0,0|1,0,2]=4 98 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)O 22a_100000189765_100000183914 [0,1,0,0,0,0|1,0,2]=4 99 B14R1.149 CC(=O)NNC(=O)c1ccnc(c1)Br 22a_100010138526_100000070787 [0,1,0,0,0,0|0,0,2]=3 100 B14R1.149 CC(=O)NNC(=O)c1ccnc(c1)Cl 22a_100000021280_100000070787 [0,1,0,0,0,0|0,0,2]=3 101 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 11a_100000210904_100000210664 [0,1,0,0,0,0|2,0,1]=4 102 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 240690a_100000210904_100000210664 [0,1,0,0,0,0|2,0,1]=4 103 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 527a_100000210904_100000210664 [0,1,0,0,0,0|2,0,1]=4 104 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 11a_100000210904_100000210390 [0,1,0,0,0,0|2,0,1]=4 105 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 240690a_100000210904_100000210390 [0,1,0,0,0,0|2,0,1]=4 106 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 527a_100000210904_100000210390 [0,1,0,0,0,0|2,0,1]=4 107 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 11a_100000210904_100000210950 [0,1,0,0,0,0|2,0,1]=4 108 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 240690a_100000210904_100000210950 [0,1,0,0,0,0|2,0,1]=4 109 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 527a_100000210904_100000210950 [0,1,0,0,0,0|2,0,1]=4 110 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 11a_100000210904_100000184098 [0,1,0,0,0,0|2,0,1]=4 111 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 240690a_100000210904_100000184098 [0,1,0,0,0,0|2,0,1]=4 112 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 527a_100000210904_100000184098 [0,1,0,0,0,0|2,0,1]=4 113 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 240690a_100000210904_100000183914 [0,1,0,0,0,0|2,0,1]=4 114 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 527a_100000210904_100000183914 [0,1,0,0,0,0|2,0,1]=4 115 B14R1.149 Cc1cccc(c1)C(=O)NCC(=O)[13CH3] 1458a_100000182573_200025704644 [0,1,0,0,0,0|2,0,1]=4 116 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 11a_100000210904_100000189346 [0,1,0,0,0,0|2,0,1]=4 117 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 240690a_100000210904_100000189346 [0,1,0,0,0,0|2,0,1]=4 118 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 527a_100000210904_100000189346 [0,1,0,0,0,0|2,0,1]=4 119 B14R1.149 [13CH3]C(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_200025704644 [0,1,0,0,0,0|2,0,1]=4 120 B14R1.149 [13CH3]C(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_200025704644 [0,1,0,0,0,0|2,0,1]=4 121 B14R1.149 [13CH3]C(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_200025704644 [0,1,0,0,0,0|2,0,1]=4 122 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 11a_100000765925_100000188424 [0,1,0,0,0,0|3,0,0]=4 123 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 1626a_100000765925_100000188424 [0,1,0,0,0,0|3,0,0]=4 124 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 240690a_100000765925_100000188424 [0,1,0,0,0,0|3,0,0]=4 125 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 527a_100000765925_100000188424 [0,1,0,0,0,0|3,0,0]=4 126 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 11a_100000765925_100000212026 [0,1,0,0,0,0|3,0,0]=4 127 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 1626a_100000765925_100000212026 [0,1,0,0,0,0|3,0,0]=4 128 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 240690a_100000765925_100000212026 [0,1,0,0,0,0|3,0,0]=4 129 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 527a_100000765925_100000212026 [0,1,0,0,0,0|3,0,0]=4 130 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 11a_100000765925_100000185844 [0,1,0,0,0,0|3,0,0]=4 131 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 1626a_100000765925_100000185844 [0,1,0,0,0,0|3,0,0]=4 132 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 240690a_100000765925_100000185844 [0,1,0,0,0,0|3,0,0]=4 133 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 527a_100000765925_100000185844 [0,1,0,0,0,0|3,0,0]=4 134 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 11a_100000765925_100000188656 [0,1,0,0,0,0|3,0,0]=4 135 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 1626a_100000765925_100000188656 [0,1,0,0,0,0|3,0,0]=4 136 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 240690a_100000765925_100000188656 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 527a_100000765925_100000188656 [0,1,0,0,0,0|3,0,0]=4 138 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 11a_100000765925_100000187884 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 1626a_100000765925_100000187884 [0,1,0,0,0,0|3,0,0]=4 140 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 240690a_100000765925_100000187884 [0,1,0,0,0,0|3,0,0]=4 141 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 527a_100000765925_100000187884 [0,1,0,0,0,0|3,0,0]=4 142 B14R1.160 C=C(C)CNC(=O)c1ccccc1O 240690a_100000765925_100015234032 [0,1,0,0,0,0|3,0,0]=4 143 B14R1.160 C=C(C)CNC(=O)c1ccccc1[O-] 1626a_100000765925_100009911694 [0,1,0,0,0,0|3,0,0]=4 144 B14R1.160 C=C(C)CNC(=O)c1ccccc1[O-] 240690a_100000765925_100009911694 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.160 C=C(C)CNC(=O)c1ccccc1[O-] 527a_100000765925_100009911694 [0,1,0,0,0,0|3,0,0]=4 146 B14R1.160 CC(=O)CNC(=O)c1ccccc1C 1458a_100000184812_200000210301 [0,1,0,0,0,0|2,0,1]=4 147 B14R1.160 CC(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_200000210301 [0,1,0,0,0,0|2,0,1]=4 148 B14R1.160 CC(=O)CNC(=O)c1ccccc1F 1458a_100000182453_200000210301 [0,1,0,0,0,0|2,0,1]=4 149 B14R1.160 CC(=O)CNC(=O)c1ccccc1I 1458a_100000194700_200000210301 [0,1,0,0,0,0|2,0,1]=4 150 B14R1.160 CC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200000210301 [0,1,0,0,0,0|2,0,1]=4 151 B14R1.160 CC(=O)NNC(=O)c1ccccc1Br 22a_100000183644_100000070787 [0,1,0,0,0,0|1,0,2]=4 152 B14R1.160 CC(=O)NNC(=O)c1ccccc1Br 22a_100000189765_100000188424 [0,1,0,0,0,0|1,0,2]=4 153 B14R1.160 CC(=O)NNC(=O)c1ccccc1C 22a_100000181371_100000070787 [0,1,0,0,0,0|1,0,2]=4 154 B14R1.160 CC(=O)NNC(=O)c1ccccc1C 22a_100000189765_100000212026 [0,1,0,0,0,0|1,0,2]=4 155 B14R1.160 CC(=O)NNC(=O)c1ccccc1Cl 22a_100000186534_100000070787 [0,1,0,0,0,0|1,0,2]=4 156 B14R1.160 CC(=O)NNC(=O)c1ccccc1Cl 22a_100000189765_100000185844 [0,1,0,0,0,0|1,0,2]=4 157 B14R1.160 CC(=O)NNC(=O)c1ccccc1F 22a_100000183521_100000070787 [0,1,0,0,0,0|1,0,2]=4 158 B14R1.160 CC(=O)NNC(=O)c1ccccc1F 22a_100000189765_100000188656 [0,1,0,0,0,0|1,0,2]=4 159 B14R1.160 CC(=O)NNC(=O)c1ccccc1I 22a_100000189765_100000187884 [0,1,0,0,0,0|1,0,2]=4 160 B14R1.160 CC(=O)NNC(=O)c1ccccc1I 22a_100000190081_100000070787 [0,1,0,0,0,0|1,0,2]=4 161 B14R1.160 CC(=O)NNC(=O)c1ccccc1O 22a_100000189765_100015234032 [0,1,0,0,0,0|1,0,2]=4 162 B14R1.160 CC(=O)NNC(=O)c1ccccc1[O-] 22a_100000189765_100009911694 [0,1,0,0,0,0|1,0,2]=4 163 B14R1.160 CC(=O)NNC(=O)c1ccncc1C 22a_100011996471_100000070787 [0,1,0,0,0,0|0,0,2]=3 164 B14R1.160 CC(=O)NNC(=O)c1ccncc1F 22a_100000702518_100000070787 [0,1,0,0,0,0|0,0,2]=3 165 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 11a_100000210904_100000188424 [0,1,0,0,0,0|2,0,1]=4 166 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 240690a_100000210904_100000188424 [0,1,0,0,0,0|2,0,1]=4 167 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 527a_100000210904_100000188424 [0,1,0,0,0,0|2,0,1]=4 168 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 11a_100000210904_100000185844 [0,1,0,0,0,0|2,0,1]=4 169 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 240690a_100000210904_100000185844 [0,1,0,0,0,0|2,0,1]=4 170 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 527a_100000210904_100000185844 [0,1,0,0,0,0|2,0,1]=4 171 B14R1.160 CC(O)CNC(=O)c1ccccc1F 11a_100000210904_100000188656 [0,1,0,0,0,0|2,0,1]=4 172 B14R1.160 CC(O)CNC(=O)c1ccccc1F 240690a_100000210904_100000188656 [0,1,0,0,0,0|2,0,1]=4 173 B14R1.160 CC(O)CNC(=O)c1ccccc1F 527a_100000210904_100000188656 [0,1,0,0,0,0|2,0,1]=4 174 B14R1.160 CC(O)CNC(=O)c1ccccc1I 11a_100000210904_100000187884 [0,1,0,0,0,0|2,0,1]=4 175 B14R1.160 CC(O)CNC(=O)c1ccccc1I 240690a_100000210904_100000187884 [0,1,0,0,0,0|2,0,1]=4 176 B14R1.160 CC(O)CNC(=O)c1ccccc1I 527a_100000210904_100000187884 [0,1,0,0,0,0|2,0,1]=4 177 B14R1.160 CC(O)CNC(=O)c1ccccc1O 240690a_100000210904_100015234032 [0,1,0,0,0,0|2,0,1]=4 178 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 240690a_100000210904_100009911694 [0,1,0,0,0,0|2,0,1]=4 179 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 527a_100000210904_100009911694 [0,1,0,0,0,0|2,0,1]=4 180 B14R1.160 Cc1ccccc1C(=O)NCC(=O)[13CH3] 1458a_100000184812_200025704644 [0,1,0,0,0,0|2,0,1]=4 181 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 11a_100000210904_100000212026 [0,1,0,0,0,0|2,0,1]=4 182 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 240690a_100000210904_100000212026 [0,1,0,0,0,0|2,0,1]=4 183 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 527a_100000210904_100000212026 [0,1,0,0,0,0|2,0,1]=4 184 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_200025704644 [0,1,0,0,0,0|2,0,1]=4 185 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1F 1458a_100000182453_200025704644 [0,1,0,0,0,0|2,0,1]=4 186 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1I 1458a_100000194700_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200025704644 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.163 C#CC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000690481 [0,1,0,0,0,0|2,0,0]=3 189 B14R1.163 C#CC(=NNC(=O)c1ccccn1)C 4a_100000184044_100000690481 [0,1,0,0,0,0|3,0,0]=4 190 B14R1.163 C#CC(=NNC(=O)c1cccnc1)C 4a_100000189771_100000690481 [0,1,0,0,0,0|3,0,0]=4 191 B14R1.163 C#CC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000690481 [0,1,0,0,0,0|1,0,0]=2 192 B14R1.163 C#CC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000690481 [0,1,0,0,0,0|2,0,0]=3 193 B14R1.163 C=CC(=NNC(=O)c1ccccc1)C 4a_100000184135_200015361842 [0,1,0,0,0,0|2,0,0]=3 194 B14R1.163 C=CC(=NNC(=O)c1ccccn1)C 4a_100000184044_200015361842 [0,1,0,0,0,0|3,0,0]=4 195 B14R1.163 C=CC(=NNC(=O)c1cccnc1)C 4a_100000189771_200015361842 [0,1,0,0,0,0|3,0,0]=4 196 B14R1.163 C=CC(=NNC(=O)c1ccncc1)C 4a_100000189768_200015361842 [0,1,0,0,0,0|1,0,0]=2 197 B14R1.163 C=CC(=NNC(=O)c1ccncn1)C 4a_100000084330_200015361842 [0,1,0,0,0,0|2,0,0]=3 198 B14R1.163 C=CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000185746 [0,1,0,0,0,0|0,0,3]=4 199 B14R1.163 CC(=NNC(=O)c1ccccc1)CF 4a_100000184135_100000039719 [0,1,0,0,0,0|2,0,0]=3 200 B14R1.163 CC(=NNC(=O)c1ccccc1)CO 4a_100000184135_100000211253 [0,1,0,0,0,0|1,0,0]=2 201 B14R1.163 CC(=NNC(=O)c1ccccn1)CF 4a_100000184044_100000039719 [0,1,0,0,0,0|3,0,0]=4 202 B14R1.163 CC(=NNC(=O)c1ccccn1)CO 4a_100000184044_100000211253 [0,1,0,0,0,0|2,0,0]=3 203 B14R1.163 CC(=NNC(=O)c1cccnc1)CF 4a_100000189771_100000039719 [0,1,0,0,0,0|3,0,0]=4 204 B14R1.163 CC(=NNC(=O)c1cccnc1)CO 4a_100000189771_100000211253 [0,1,0,0,0,0|2,0,0]=3 205 B14R1.163 CC(=NNC(=O)c1ccncc1)CF 4a_100000189768_100000039719 [0,1,0,0,0,0|1,0,0]=2 206 B14R1.163 CC(=NNC(=O)c1ccncc1)CO 4a_100000189768_100000211253 [0,1,0,0,0,0|0,0,0]=1 207 B14R1.163 CC(=NNC(=O)c1ccncn1)CF 4a_100000084330_100000039719 [0,1,0,0,0,0|2,0,0]=3 208 B14R1.163 CC(=NNC(=O)c1ccncn1)CO 4a_100000084330_100000211253 [0,1,0,0,0,0|1,0,0]=2 209 B14R1.163 CC(=NNC(=O)c1cnccn1)CO 4a_100000189795_100000211253 [0,1,0,0,0,0|3,0,0]=4 210 B14R1.163 CC(CO)CNC(=O)c1ccccc1 240690a_100000744482_100000185807 [0,1,0,0,0,0|2,0,1]=4 211 B14R1.163 CC(CO)CNC(=O)c1ccccc1 527a_100000744482_100000185807 [0,1,0,0,0,0|2,0,1]=4 212 B14R1.163 CC(CO)SCC(=O)c1ccncc1 62a_100012180447_100000027454 [0,1,0,0,0,0|2,0,1]=4 213 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210202 [0,1,0,0,0,0|2,0,1]=4 214 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000183195_100000185807 [0,1,0,0,0,0|1,0,2]=4 215 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210414 [0,1,0,0,0,0|1,0,2]=4 216 B14R1.163 CCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000210414 [0,1,0,0,0,0|0,0,2]=3 217 B14R1.163 CCC(=O)NNC(=O)c1ccncn1 22a_100000084330_100000210414 [0,1,0,0,0,0|1,0,2]=4 218 B14R1.163 CCC(O)CNC(=O)c1ccccc1 11a_100011218483_100000185807 [0,1,0,0,0,0|2,0,1]=4 219 B14R1.163 CCC(O)CNC(=O)c1ccccc1 240690a_100011218483_100000185807 [0,1,0,0,0,0|2,0,1]=4 220 B14R1.163 CCC(O)CNC(=O)c1ccccc1 527a_100011218483_100000185807 [0,1,0,0,0,0|2,0,1]=4 221 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_100000693194_100000185807 [0,1,0,0,0,0|2,0,1]=4 222 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_106832991635_100000182045 [0,1,0,0,0,0|2,0,1]=4 223 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 1626a_100102657272_100000182045 [0,1,0,0,0,0|2,0,1]=4 224 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100000693194_100000185807 [0,1,0,0,0,0|2,0,1]=4 225 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100102657272_100000182045 [0,1,0,0,0,0|2,0,1]=4 226 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100000693194_100000185807 [0,1,0,0,0,0|2,0,1]=4 227 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100102657272_100000182045 [0,1,0,0,0,0|2,0,1]=4 228 B14R1.163 CNC(=O)NNC(=O)c1ccccc1 273464a_100102657272_100000184135 [0,1,0,0,0,0|1,0,2]=4 229 B14R1.163 CNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100102657272 [0,1,0,0,0,0|1,0,2]=4 230 B14R1.163 CNC(=O)NNC(=O)c1ccncc1 273464a_100102657272_100000189768 [0,1,0,0,0,0|0,0,2]=3 231 B14R1.163 CNC(=O)NNC(=O)c1ccncc1 512a_106832991638_100000189768 [0,1,0,0,0,0|0,0,2]=3 232 B14R1.163 CNC(=O)NNC(=O)c1ccncn1 273464a_100102657272_100000084330 [0,1,0,0,0,0|1,0,2]=4 233 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,1,0,0,0,0|2,0,1]=4 234 B14R1.163 COC(C)SCC(=O)c1ccncc1 62a_100000027454_100009879195 [0,1,0,0,0,0|2,0,1]=4 235 B14R1.163 COC(C)SCC(=O)c1ccncc1 62a_100009879195_100000027454 [0,1,0,0,0,0|2,0,1]=4 236 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 11a_100020591295_100000185807 [0,1,0,0,0,0|2,0,1]=4 237 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 1626a_100020591295_100000185807 [0,1,0,0,0,0|2,0,1]=4 238 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 240690a_100020591295_100000185807 [0,1,0,0,0,0|2,0,1]=4 239 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 527a_100020591295_100000185807 [0,1,0,0,0,0|2,0,1]=4 240 B14R1.163 C[C@H](CO)SCC(=O)c1ccncc1 62a_100000027454_100016084084 [0,1,0,0,0,0|2,0,1]=4 241 B14R1.163 C[C@H](CO)SCC(=O)c1ccncc1 62a_100016084084_100000027454 [0,1,0,0,0,0|2,0,1]=4 242 B14R1.163 O=C(CF)CNC(=O)c1ccccc1 1458a_100000182045_100015361967 [0,1,0,0,0,0|2,0,1]=4 243 B14R1.163 O=C(CO)NNC(=O)c1ccccc1 22a_100000184135_100000210174 [0,1,0,0,0,0|1,0,2]=4 244 B14R1.163 O=C(CO)NNC(=O)c1ccncc1 22a_100000189768_100000210174 [0,1,0,0,0,0|0,0,2]=3 245 B14R1.163 O=C(CO)NNC(=O)c1ccncn1 22a_100000084330_100000210174 [0,1,0,0,0,0|1,0,2]=4 246 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000185807 [0,1,0,0,0,0|2,0,1]=4 247 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000185807 [0,1,0,0,0,0|2,0,1]=4 248 B14R1.415 C=C(C)C(=O)CC(=O)c1ccncc1 1458a_100000185857_100000027454 [0,1,0,0,0,0|3,0,0]=4 249 B14R1.415 CC(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_200000210301 [0,1,0,0,0,0|2,0,1]=4 250 B14R1.415 CC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_200000210301 [0,1,0,0,0,0|2,0,1]=4 251 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100011504567_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccncc1 1458a_100000717761_100000027454 [0,1,0,0,0,0|2,0,1]=4 253 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccncc1 1458a_217856618621_100000027454 [0,1,0,0,0,0|2,0,1]=4 254 B14R1.415 [13CH3]C(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_200025704644 [0,1,0,0,0,0|2,0,1]=4 255 B14R1.417 C=C(C)CN(C)C(=O)c1ccccc1 11a_100000225649_100000185807 [0,1,0,0,0,0|3,0,0]=4 256 B14R1.417 C=C(C)CN(C)C(=O)c1ccccc1 1626a_100000225649_100000185807 [0,1,0,0,0,0|3,0,0]=4 257 B14R1.417 C=C(C)CN(C)C(=O)c1ccccc1 527a_100000225649_100000185807 [0,1,0,0,0,0|3,0,0]=4 258 B14R1.417 CC(=O)CN(C)C(=O)c1ccccc1 1458a_100000194983_200000210301 [0,1,0,0,0,0|2,0,1]=4 259 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 240690a_100000227577_100000185807 [0,1,0,0,0,0|2,0,1]=4 260 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 527a_100000227577_100000185807 [0,1,0,0,0,0|2,0,1]=4 261 B14R1.417 CN(CC(=O)[13CH3])C(=O)c1ccccc1 1458a_100000194983_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 11a_100000765925_100000185839 [0,1,0,0,0,0|3,0,0]=4 263 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 1626a_100000765925_100000185839 [0,1,0,0,0,0|3,0,0]=4 264 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 240690a_100000765925_100000185839 [0,1,0,0,0,0|3,0,0]=4 265 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 527a_100000765925_100000185839 [0,1,0,0,0,0|3,0,0]=4 266 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 11a_100000765925_100000188618 [0,1,0,0,0,0|3,0,0]=4 267 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 1626a_100000765925_100000188618 [0,1,0,0,0,0|3,0,0]=4 268 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 240690a_100000765925_100000188618 [0,1,0,0,0,0|3,0,0]=4 269 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 527a_100000765925_100000188618 [0,1,0,0,0,0|3,0,0]=4 270 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 11a_100000765925_100000210187 [0,1,0,0,0,0|3,0,0]=4 271 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 1626a_100000765925_100000210187 [0,1,0,0,0,0|3,0,0]=4 272 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 240690a_100000765925_100000210187 [0,1,0,0,0,0|3,0,0]=4 273 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 527a_100000765925_100000210187 [0,1,0,0,0,0|3,0,0]=4 274 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 11a_100000765925_100000187176 [0,1,0,0,0,0|3,0,0]=4 275 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 1626a_100000765925_100000187176 [0,1,0,0,0,0|3,0,0]=4 276 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 240690a_100000765925_100000187176 [0,1,0,0,0,0|3,0,0]=4 277 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 527a_100000765925_100000187176 [0,1,0,0,0,0|3,0,0]=4 278 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 11a_100000765925_100000187904 [0,1,0,0,0,0|3,0,0]=4 279 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 1626a_100000765925_100000187904 [0,1,0,0,0,0|3,0,0]=4 280 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 240690a_100000765925_100000187904 [0,1,0,0,0,0|3,0,0]=4 281 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 527a_100000765925_100000187904 [0,1,0,0,0,0|3,0,0]=4 282 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)O 240690a_100000765925_100000212099 [0,1,0,0,0,0|3,0,0]=4 283 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)O 527a_100000765925_100000212099 [0,1,0,0,0,0|3,0,0]=4 284 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)C 1458a_100000183637_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_200000210301 [0,1,0,0,0,0|2,0,1]=4 286 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_200000210301 [0,1,0,0,0,0|2,0,1]=4 287 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_200000210301 [0,1,0,0,0,0|2,0,1]=4 288 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Br 22a_100000183614_100000070787 [0,1,0,0,0,0|1,0,2]=4 289 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Br 22a_100000189765_100000185839 [0,1,0,0,0,0|1,0,2]=4 290 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)C 22a_100000189765_100000188618 [0,1,0,0,0,0|1,0,2]=4 291 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)C 22a_100000189790_100000070787 [0,1,0,0,0,0|1,0,2]=4 292 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Cl 22a_100000184390_100000070787 [0,1,0,0,0,0|1,0,2]=4 293 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Cl 22a_100000189765_100000210187 [0,1,0,0,0,0|1,0,2]=4 294 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)F 22a_100000182866_100000070787 [0,1,0,0,0,0|1,0,2]=4 295 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)F 22a_100000189765_100000187176 [0,1,0,0,0,0|1,0,2]=4 296 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)I 22a_100000189765_100000187904 [0,1,0,0,0,0|1,0,2]=4 297 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)I 22a_100000189773_100000070787 [0,1,0,0,0,0|1,0,2]=4 298 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)O 22a_100000189765_100000212099 [0,1,0,0,0,0|1,0,2]=4 299 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 11a_100000210904_100000185839 [0,1,0,0,0,0|2,0,1]=4 300 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 240690a_100000210904_100000185839 [0,1,0,0,0,0|2,0,1]=4 301 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 527a_100000210904_100000185839 [0,1,0,0,0,0|2,0,1]=4 302 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 11a_100000210904_100000210187 [0,1,0,0,0,0|2,0,1]=4 303 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 240690a_100000210904_100000210187 [0,1,0,0,0,0|2,0,1]=4 304 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 527a_100000210904_100000210187 [0,1,0,0,0,0|2,0,1]=4 305 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 11a_100000210904_100000187176 [0,1,0,0,0,0|2,0,1]=4 306 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 240690a_100000210904_100000187176 [0,1,0,0,0,0|2,0,1]=4 307 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 527a_100000210904_100000187176 [0,1,0,0,0,0|2,0,1]=4 308 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 11a_100000210904_100000187904 [0,1,0,0,0,0|2,0,1]=4 309 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 240690a_100000210904_100000187904 [0,1,0,0,0,0|2,0,1]=4 310 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 527a_100000210904_100000187904 [0,1,0,0,0,0|2,0,1]=4 311 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 240690a_100000210904_100000212099 [0,1,0,0,0,0|2,0,1]=4 312 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 527a_100000210904_100000212099 [0,1,0,0,0,0|2,0,1]=4 313 B14R1.678 Cc1ccc(cc1)C(=O)NCC(=O)[13CH3] 1458a_100000183637_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 11a_100000210904_100000188618 [0,1,0,0,0,0|2,0,1]=4 315 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 240690a_100000210904_100000188618 [0,1,0,0,0,0|2,0,1]=4 316 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 527a_100000210904_100000188618 [0,1,0,0,0,0|2,0,1]=4 317 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_200025704644 [0,1,0,0,0,0|2,0,1]=4 318 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_200025704644 [0,1,0,0,0,0|2,0,1]=4 319 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_200025704644 [0,1,0,0,0,0|2,0,1]=4 320 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 1626a_100000751335_100000185807 [0,1,0,0,0,0|2,0,1]=4 321 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 240690a_100000751335_100000185807 [0,1,0,0,0,0|2,0,1]=4 322 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 527a_100000751335_100000185807 [0,1,0,0,0,0|2,0,1]=4 323 B14R1.3098 CS(=O)(=O)NNC(=O)c1ccncc1 40a_100000189768_100000738038 [0,1,0,0,0,0|1,0,2]=4 324 B14R2.68 Cc1ccc(cn1)c2ccncc2 271570a_100000752145_100000751577 [0,0,0,1,0,0|3,0,0]=4 325 B14R2.68 Cc1ccc(cn1)c2ccncc2 271570a_100012354835_100000035832 [0,0,0,1,0,0|3,0,0]=4 326 B14R2.68 Cc1ccc(nn1)c2ccncc2 271570a_100000752145_100011450037 [0,0,0,1,0,0|2,0,1]=4 327 B14R2.68 Cc1cnc(cn1)c2ccncc2 271570a_100000752145_100011999403 [0,0,0,1,0,0|3,0,0]=4 328 B14R2.68 Cc1ncc(cn1)c2ccncc2 271570a_100000752145_100000686985 [0,0,0,1,0,0|3,0,0]=4 329 B14R2.68 Cc1ncc(cn1)c2ccncc2 271570a_100010255633_100000035832 [0,0,0,1,0,0|3,0,0]=4 330 B14R2.68 Oc1ccc(cn1)c2ccncc2 271570a_100000062254_100000035832 [0,0,0,1,0,0|2,0,1]=4 331 B14R2.68 Oc1ccc(nn1)c2ccncc2 271570a_203496583355_200011319701 [0,0,0,1,0,0|1,0,2]=4 332 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 11a_100000749847_100000185807 [0,0,0,1,0,0|2,0,1]=4 333 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 240690a_100000749847_100000185807 [0,0,0,1,0,0|2,0,1]=4 334 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 527a_100000749847_100000185807 [0,0,0,1,0,0|2,0,1]=4 335 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,0,0,0,1,0|2,0,1]=4 336 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,0,0,0,1,0|2,0,1]=4 337 B12R1.54 CC(=O)NNC(=O)c1ccc[nH]1 22a_100000018271_100000070787 [0,0,0,0,1,0|1,0,2]=4 338 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,0,0,0,1,0|1,0,2]=4 339 B12R1.54 CC(=O)NNC(=O)c1cccs1 22a_100000184746_100000070787 [0,0,0,0,1,0|1,0,2]=4 340 B12R1.54 CC(=O)NNC(=O)c1ccoc1 22a_100000233958_100000070787 [0,0,0,0,1,0|1,0,2]=4 341 B12R1.54 CC(=O)NNC(=O)c1ccsc1 22a_100000193922_100000070787 [0,0,0,0,1,0|1,0,2]=4 342 B12R1.54 CC(=O)NNC(=O)c1cn[nH]c1 22a_100011317056_100000070787 [0,0,0,0,1,0|1,0,2]=4 343 B12R1.54 CC(=O)NNC(=O)c1cncs1 22a_200000241815_100000070787 [0,0,0,0,1,0|1,0,2]=4 344 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,0,0,0,1,0|2,0,1]=4 345 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,0,0,0,1,0|2,0,1]=4 346 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,0,0,1,0|3,0,0]=4 347 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,1,0|2,0,1]=4 348 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,0,0,0,1,0|1,0,1]=3 349 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,0,0,0,1,0|1,0,2]=4 350 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,0,0,0,1,0|1,0,2]=4 351 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,0,0,0,1,0|2,0,1]=4 352 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,0,0,0,1,0|2,0,1]=4 353 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,0,0,0,1,0|2,0,1]=4 354 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,0,0,0,1,0|2,0,1]=4 355 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,0,0,1,0|2,0,1]=4 356 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,0,0,0,1,0|3,0,0]=4 357 B14R1.420 C=C(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210575 [0,0,0,0,0,1|2,0,0]=3 358 B14R1.420 C=C(C)C=NNC(=O)c1ccccn1 4a_100000184044_100000210575 [0,0,0,0,0,1|3,0,0]=4 359 B14R1.420 C=C(C)C=NNC(=O)c1cccnc1 4a_100000189771_100000210575 [0,0,0,0,0,1|3,0,0]=4 360 B14R1.420 C=C(C)C=NNC(=O)c1ccncc1 4a_100000189768_100000210575 [0,0,0,0,0,1|1,0,0]=2 361 B14R1.420 C=C(C)C=NNC(=O)c1ccncn1 4a_100000084330_100000210575 [0,0,0,0,0,1|2,0,0]=3 362 B14R1.420 C=C(C)CNNC(=O)c1ccccc1 22a_100000729518_100000185807 [0,0,0,0,0,1|2,0,1]=4 363 B14R1.420 C=C(C)CSCC(=O)c1ccncc1 62a_100000027454_100000211660 [0,0,0,0,0,1|3,0,0]=4 364 B14R1.420 C=C(C)CSCC(=O)c1ccncc1 62a_100000748629_100000027454 [0,0,0,0,0,1|3,0,0]=4 365 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 11a_100000718196_100000185807 [0,0,0,0,0,1|3,0,0]=4 366 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 1626a_100000718196_100000185807 [0,0,0,0,0,1|3,0,0]=4 367 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 527a_100000718196_100000185807 [0,0,0,0,0,1|3,0,0]=4 368 B14R1.420 CC(=NNCC(C)O)c1ccncc1 4a_200000730056_100000185792 [0,0,0,0,0,1|2,0,1]=4 369 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [0,0,0,0,0,1|2,0,1]=4 370 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [0,0,0,0,0,1|2,0,1]=4 371 B14R1.420 CC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210432 [0,0,0,0,0,1|2,0,1]=4 372 B14R1.420 CC(C)C=NNC(=O)c1ccncc1 4a_100000189768_100000210432 [0,0,0,0,0,1|1,0,1]=3 373 B14R1.420 CC(C)C=NNC(=O)c1ccncn1 4a_100000084330_100000210432 [0,0,0,0,0,1|2,0,1]=4 374 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [0,0,0,0,0,1|2,0,1]=4 375 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [0,0,0,0,0,1|2,0,1]=4 376 B14R1.420 CC(O)CNNC(=O)c1ccccc1 22a_200000730056_100000185807 [0,0,0,0,0,1|1,0,2]=4 377 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100000027454_100011218427 [0,0,0,0,0,1|2,0,1]=4 378 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100011218427_100000027454 [0,0,0,0,0,1|2,0,1]=4 379 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100000027454_100009817552 [0,0,0,0,0,1|2,0,1]=4 380 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100009817552_100000027454 [0,0,0,0,0,1|2,0,1]=4 381 B14R1.420 O=C(O)CNCC(=O)c1ccccc1 269956a_100016091260_100000211460 [0,0,0,0,0,1|3,0,0]=4 382 B14R1.420 O=C(O)CNCC(=O)c1ccncc1 269956a_100016091260_100000027454 [0,0,0,0,0,1|2,0,0]=3 383 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [0,0,0,0,0,1|2,0,1]=4 384 B14R1.423 C=C(C)CCC(=O)Cc1ccncc1 1458a_200000688413_100000705612 [0,0,0,0,0,1|3,0,0]=4 385 B14R1.423 C=C(C)CNC(=O)Cc1ccncc1 11a_100000765925_100011201483 [0,0,0,0,0,1|2,0,0]=3 386 B14R1.423 C=C(C)CNC(=O)Cc1ccncc1 240690a_100000765925_100011201483 [0,0,0,0,0,1|2,0,0]=3 387 B14R1.423 C=C(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000765925 [0,0,0,0,0,1|3,0,0]=4 388 B14R1.423 CC(=CCC(=O)Cc1ccncc1)C 1458a_100011220947_100000705612 [0,0,0,0,0,1|3,0,0]=4 389 B14R1.423 CC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200000210301 [0,0,0,0,0,1|2,0,1]=4 390 B14R1.423 CC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200000210301 [0,0,0,0,0,1|2,0,1]=4 391 B14R1.423 CC(=O)NCC(=O)Cc1ccncc1 1458a_100000194580_100000705612 [0,0,0,0,0,1|1,0,2]=4 392 B14R1.423 CC(=O)NNC(=O)Cc1ccccc1 22a_100000182964_100000070787 [0,0,0,0,0,1|1,0,2]=4 393 B14R1.423 CC(=O)NNC(=O)Cc1ccncc1 22a_100000189765_100011201483 [0,0,0,0,0,1|0,0,2]=3 394 B14R1.423 CC(=O)NNC(=O)Cc1ccncc1 22a_100000766356_100000070787 [0,0,0,0,0,1|0,0,2]=3 395 B14R1.423 CC(=O)OCC(=O)Cc1ccncc1 1458a_100000183556_100000705612 [0,0,0,0,0,1|2,0,1]=4 396 B14R1.423 CC(=O)SCC(=O)Cc1ccncc1 1458a_100000049016_100000705612 [0,0,0,0,0,1|2,0,1]=4 397 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 11a_100000210953_100011201483 [0,0,0,0,0,1|2,0,1]=4 398 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 240690a_100000210953_100011201483 [0,0,0,0,0,1|2,0,1]=4 399 B14R1.423 CC(C)NNC(=O)Cc1ccncc1 22a_100000741168_100011201483 [0,0,0,0,0,1|1,0,2]=4 400 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 11a_100000210904_100011201483 [0,0,0,0,0,1|1,0,1]=3 401 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 240690a_100000210904_100011201483 [0,0,0,0,0,1|1,0,1]=3 402 B14R1.423 CC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210904 [0,0,0,0,0,1|2,0,1]=4 403 B14R1.423 NC(=O)CNC(=O)Cc1ccncc1 11a_100000711301_100011201483 [0,0,0,0,0,1|2,0,1]=4 404 B14R1.423 NC(=O)CNC(=O)Cc1ccncc1 240690a_100000711301_100011201483 [0,0,0,0,0,1|2,0,1]=4 405 B14R1.423 [13CH3]C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200025704644 [0,0,0,0,0,1|2,0,1]=4 406 B14R1.423 [13CH3]C(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200025704644 [0,0,0,0,0,1|2,0,1]=4 407 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [2,0,0,0,0,0|1,0,1]=4 408 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [2,0,0,0,0,0|1,0,1]=4 409 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [2,0,0,0,0,0|1,0,1]=4 410 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [2,0,0,0,0,0|1,0,1]=4 411 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [2,0,0,0,0,0|1,0,1]=4 412 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [2,0,0,0,0,0|2,0,0]=4 413 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [2,0,0,0,0,0|2,0,0]=4 414 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [2,0,0,0,0,0|2,0,0]=4 415 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [2,0,0,0,0,0|2,0,0]=4 416 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [2,0,0,0,0,0|1,0,1]=4 417 B11R1.28 CC=NNCc1ccncc1 4a_100000736929_200000210099 [2,0,0,0,0,0|0,0,1]=3 418 B13R1.17 CC=NNC(=O)c1ccc(=O)[nH]c1 4a_100000189851_200000210099 [1,1,0,0,0,0|2,0,0]=4 419 B13R1.17 CC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_200000210099 [1,1,0,0,0,0|1,0,0]=3 420 B13R1.17 CC=NNC(=O)c1ccc(cc1)C 4a_100000189790_200000210099 [1,1,0,0,0,0|1,0,0]=3 421 B13R1.17 CC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_200000210099 [1,1,0,0,0,0|1,0,0]=3 422 B13R1.17 CC=NNC(=O)c1ccc(cc1)F 4a_100000182866_200000210099 [1,1,0,0,0,0|1,0,0]=3 423 B13R1.17 CC=NNC(=O)c1ccc(cc1)I 4a_100000189773_200000210099 [1,1,0,0,0,0|1,0,0]=3 424 B13R1.17 CC=NNC(=O)c1ccc(cn1)Br 4a_100011781063_200000210099 [1,1,0,0,0,0|2,0,0]=4 425 B13R1.17 CC=NNC(=O)c1ccc(cn1)Cl 4a_100012017650_200000210099 [1,1,0,0,0,0|2,0,0]=4 426 B13R1.17 CC=NNC(=O)c1ccc(cn1)F 4a_100012021870_200000210099 [1,1,0,0,0,0|2,0,0]=4 427 B13R1.17 CC=NNC(=O)c1ccc(nc1)C 4a_100011193134_200000210099 [1,1,0,0,0,0|2,0,0]=4 428 B13R1.17 CC=NNC(=O)c1ccc(nc1)Cl 4a_100000189807_200000210099 [1,1,0,0,0,0|2,0,0]=4 429 B13R1.18 CC=NNC(=O)c1cc(ccn1)Br 4a_100010175343_200000210099 [1,1,0,0,0,0|2,0,0]=4 430 B13R1.18 CC=NNC(=O)c1cc(ccn1)Cl 4a_100000017052_200000210099 [1,1,0,0,0,0|2,0,0]=4 431 B13R1.18 CC=NNC(=O)c1cccc(=O)[nH]1 4a_200013023864_200000210099 [1,1,0,0,0,0|2,0,0]=4 432 B13R1.18 CC=NNC(=O)c1cccc(c1)Br 4a_100000189783_200000210099 [1,1,0,0,0,0|1,0,0]=3 433 B13R1.18 CC=NNC(=O)c1cccc(c1)C 4a_100000189845_200000210099 [1,1,0,0,0,0|1,0,0]=3 434 B13R1.18 CC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_200000210099 [1,1,0,0,0,0|1,0,0]=3 435 B13R1.18 CC=NNC(=O)c1cccc(c1)F 4a_100000189798_200000210099 [1,1,0,0,0,0|1,0,0]=3 436 B13R1.18 CC=NNC(=O)c1cccc(c1)I 4a_100000186306_200000210099 [1,1,0,0,0,0|1,0,0]=3 437 B13R1.18 CC=NNC(=O)c1cccc(n1)C 4a_100000724394_200000210099 [1,1,0,0,0,0|2,0,0]=4 438 B13R1.18 CC=NNC(=O)c1cccc(n1)Cl 4a_100011631096_200000210099 [1,1,0,0,0,0|2,0,0]=4 439 B13R1.18 CC=NNC(=O)c1cccc(n1)F 4a_100025773536_200000210099 [1,1,0,0,0,0|2,0,0]=4 440 B13R1.18 CC=NNC(=O)c1ccnc(c1)Br 4a_100010138526_200000210099 [1,1,0,0,0,0|0,0,0]=2 441 B13R1.18 CC=NNC(=O)c1ccnc(c1)Cl 4a_100000021280_200000210099 [1,1,0,0,0,0|0,0,0]=2 442 B13R1.18 CC=NNC(=O)c1cncc(c1)Br 4a_100000189809_200000210099 [1,1,0,0,0,0|2,0,0]=4 443 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [1,1,0,0,0,0|1,0,0]=3 444 B13R1.24 CCC=NNC(=O)c1ccccn1 4a_100000184044_100000210100 [1,1,0,0,0,0|2,0,0]=4 445 B13R1.24 CCC=NNC(=O)c1cccnc1 4a_100000189771_100000210100 [1,1,0,0,0,0|2,0,0]=4 446 B13R1.24 CCC=NNC(=O)c1ccncc1 4a_100000189768_100000210100 [1,1,0,0,0,0|0,0,0]=2 447 B13R1.24 CCC=NNC(=O)c1ccncn1 4a_100000084330_100000210100 [1,1,0,0,0,0|1,0,0]=3 448 B13R1.24 CNCCNC(=O)c1ccncc1 2230a_200011198449_200000210301 [1,1,0,0,0,0|1,0,1]=4 449 B13R1.24 [13CH3]NCCNC(=O)c1ccncc1 2230a_200011198449_200025704644 [1,1,0,0,0,0|1,0,1]=4 450 B13R1.674 CC=NNC(=O)c1ccccc1Br 4a_100000183644_200000210099 [1,1,0,0,0,0|1,0,0]=3 451 B13R1.674 CC=NNC(=O)c1ccccc1C 4a_100000181371_200000210099 [1,1,0,0,0,0|1,0,0]=3 452 B13R1.674 CC=NNC(=O)c1ccccc1Cl 4a_100000186534_200000210099 [1,1,0,0,0,0|1,0,0]=3 453 B13R1.674 CC=NNC(=O)c1ccccc1F 4a_100000183521_200000210099 [1,1,0,0,0,0|1,0,0]=3 454 B13R1.674 CC=NNC(=O)c1ccccc1I 4a_100000190081_200000210099 [1,1,0,0,0,0|1,0,0]=3 455 B13R1.674 CC=NNC(=O)c1cccnc1C 4a_100012021714_200000210099 [1,1,0,0,0,0|2,0,0]=4 456 B13R1.674 CC=NNC(=O)c1ccncc1C 4a_100011996471_200000210099 [1,1,0,0,0,0|0,0,0]=2 457 B13R1.674 CC=NNC(=O)c1ccncc1F 4a_100000702518_200000210099 [1,1,0,0,0,0|0,0,0]=2 458 B13R1.718 C#CC(=NNCc1ccncc1)C 4a_100000736929_100000690481 [1,1,0,0,0,0|1,0,1]=4 459 B13R1.718 C=CC(=NNCc1ccncc1)C 4a_100000736929_200015361842 [1,1,0,0,0,0|1,0,1]=4 460 B13R1.718 CC(=NNCc1ccccc1)CO 4a_100000007032_100000211253 [1,1,0,0,0,0|1,0,1]=4 461 B13R1.718 CC(=NNCc1ccncc1)CF 4a_100000736929_100000039719 [1,1,0,0,0,0|1,0,1]=4 462 B13R1.718 CC(=NNCc1ccncc1)CO 4a_100000736929_100000211253 [1,1,0,0,0,0|0,0,1]=3 463 B13R1.162 C#CC(=NNC(=O)c1ccc[nH]1)C 4a_100000018271_100000690481 [0,1,0,0,1,0|2,0,0]=4 464 B13R1.162 C#CC(=NNC(=O)c1ccco1)C 4a_100000185077_100000690481 [0,1,0,0,1,0|2,0,0]=4 465 B13R1.162 C#CC(=NNC(=O)c1cccs1)C 4a_100000184746_100000690481 [0,1,0,0,1,0|2,0,0]=4 466 B13R1.162 C#CC(=NNC(=O)c1ccoc1)C 4a_100000233958_100000690481 [0,1,0,0,1,0|2,0,0]=4 467 B13R1.162 C#CC(=NNC(=O)c1ccsc1)C 4a_100000193922_100000690481 [0,1,0,0,1,0|2,0,0]=4 468 B13R1.162 C#CC(=NNC(=O)c1cn[nH]c1)C 4a_100011317056_100000690481 [0,1,0,0,1,0|2,0,0]=4 469 B13R1.162 C#CC(=NNC(=O)c1cnco1)C 4a_100000081316_100000690481 [0,1,0,0,1,0|2,0,0]=4 470 B13R1.162 C#CC(=NNC(=O)c1cncs1)C 4a_200000241815_100000690481 [0,1,0,0,1,0|2,0,0]=4 471 B13R1.162 C=CC(=NNC(=O)c1ccc[nH]1)C 4a_100000018271_200015361842 [0,1,0,0,1,0|2,0,0]=4 472 B13R1.162 C=CC(=NNC(=O)c1ccco1)C 4a_100000185077_200015361842 [0,1,0,0,1,0|2,0,0]=4 473 B13R1.162 C=CC(=NNC(=O)c1cccs1)C 4a_100000184746_200015361842 [0,1,0,0,1,0|2,0,0]=4 474 B13R1.162 C=CC(=NNC(=O)c1ccoc1)C 4a_100000233958_200015361842 [0,1,0,0,1,0|2,0,0]=4 475 B13R1.162 C=CC(=NNC(=O)c1ccsc1)C 4a_100000193922_200015361842 [0,1,0,0,1,0|2,0,0]=4 476 B13R1.162 C=CC(=NNC(=O)c1cn[nH]c1)C 4a_100011317056_200015361842 [0,1,0,0,1,0|2,0,0]=4 477 B13R1.162 C=CC(=NNC(=O)c1cnco1)C 4a_100000081316_200015361842 [0,1,0,0,1,0|2,0,0]=4 478 B13R1.162 C=CC(=NNC(=O)c1cncs1)C 4a_200000241815_200015361842 [0,1,0,0,1,0|2,0,0]=4 479 B13R1.162 CC(=NNC(=O)c1cc[nH]n1)CO 4a_100011273208_100000211253 [0,1,0,0,1,0|1,0,1]=4 480 B13R1.162 CC(=NNC(=O)c1ccc[nH]1)CF 4a_100000018271_100000039719 [0,1,0,0,1,0|2,0,0]=4 481 B13R1.162 CC(=NNC(=O)c1ccc[nH]1)CO 4a_100000018271_100000211253 [0,1,0,0,1,0|1,0,0]=3 482 B13R1.162 CC(=NNC(=O)c1ccco1)CF 4a_100000185077_100000039719 [0,1,0,0,1,0|2,0,0]=4 483 B13R1.162 CC(=NNC(=O)c1ccco1)CO 4a_100000185077_100000211253 [0,1,0,0,1,0|1,0,0]=3 484 B13R1.162 CC(=NNC(=O)c1cccs1)CF 4a_100000184746_100000039719 [0,1,0,0,1,0|2,0,0]=4 485 B13R1.162 CC(=NNC(=O)c1cccs1)CO 4a_100000184746_100000211253 [0,1,0,0,1,0|1,0,0]=3 486 B13R1.162 CC(=NNC(=O)c1ccoc1)CF 4a_100000233958_100000039719 [0,1,0,0,1,0|2,0,0]=4 487 B13R1.162 CC(=NNC(=O)c1ccoc1)CO 4a_100000233958_100000211253 [0,1,0,0,1,0|1,0,0]=3 488 B13R1.162 CC(=NNC(=O)c1ccsc1)CF 4a_100000193922_100000039719 [0,1,0,0,1,0|2,0,0]=4 489 B13R1.162 CC(=NNC(=O)c1ccsc1)CO 4a_100000193922_100000211253 [0,1,0,0,1,0|1,0,0]=3 490 B13R1.162 CC(=NNC(=O)c1cn[nH]c1)CF 4a_100011317056_100000039719 [0,1,0,0,1,0|2,0,0]=4 491 B13R1.162 CC(=NNC(=O)c1cn[nH]c1)CO 4a_100011317056_100000211253 [0,1,0,0,1,0|1,0,0]=3 492 B13R1.162 CC(=NNC(=O)c1cnco1)CF 4a_100000081316_100000039719 [0,1,0,0,1,0|2,0,0]=4 493 B13R1.162 CC(=NNC(=O)c1cnco1)CO 4a_100000081316_100000211253 [0,1,0,0,1,0|1,0,0]=3 494 B13R1.162 CC(=NNC(=O)c1cncs1)CF 4a_200000241815_100000039719 [0,1,0,0,1,0|2,0,0]=4 495 B13R1.162 CC(=NNC(=O)c1cncs1)CO 4a_200000241815_100000211253 [0,1,0,0,1,0|1,0,0]=3 496 B13R1.162 CC(=NNC(=O)c1cocn1)CO 4a_100000084333_100000211253 [0,1,0,0,1,0|2,0,0]=4 497 B13R1.162 CC(=NNC(=O)c1cscn1)CO 4a_100011794543_100000211253 [0,1,0,0,1,0|2,0,0]=4 498 B13R1.162 CC(=NNC(=O)c1nccs1)CO 4a_100000077877_100000211253 [0,1,0,0,1,0|2,0,0]=4 499 B13R1.162 CC(=NNC(=O)c1nnc[nH]1)CO 4a_100011787719_100000211253 [0,1,0,0,1,0|2,0,0]=4 500 B13R1.147 CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000070787_100009817076 [0,1,0,0,1,0|1,0,1]=4 501 B13R1.147 CC(C)NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229805 [0,1,0,0,1,0|1,0,1]=4 502 B13R1.347 CC(=O)NS(=O)(=O)c1ccncc1 2740a_100000754697_100015343762 [0,1,0,0,1,0|1,0,1]=4 503 B15R1.500 C/C(=N\NC(=O)c1ccncc1)/C(=O)[13CH3] 1458a_200032421479_200025704644 [0,1,0,0,0,1|0,0,1]=3 504 B15R1.500 C=C(C)C(=NNC(=O)c1ccccc1)C 4a_100000184135_100011216138 [0,1,0,0,0,1|2,0,0]=4 505 B15R1.500 C=C(C)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100011216138 [0,1,0,0,0,1|1,0,0]=3 506 B15R1.500 C=C(C)C(=NNC(=O)c1ccncn1)C 4a_100000084330_100011216138 [0,1,0,0,0,1|2,0,0]=4 507 B15R1.500 C=C(C)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100000185857 [0,1,0,0,0,1|1,0,1]=4 508 B15R1.500 CC(=NNC(=O)c1ccccc1)C(C)O 4a_100000184135_100000212229 [0,1,0,0,0,1|1,0,1]=4 509 B15R1.500 CC(=NNC(=O)c1ccncc1)C(C)C 4a_100000189768_100000211110 [0,1,0,0,0,1|1,0,1]=4 510 B15R1.500 CC(=NNC(=O)c1ccncc1)C(C)O 4a_100000189768_100000212229 [0,1,0,0,0,1|0,0,1]=3 511 B15R1.500 CC(=NNC(=O)c1ccncn1)C(C)O 4a_100000084330_100000212229 [0,1,0,0,0,1|1,0,1]=4 512 B15R1.500 CC(=O)/C(=N/NC(=O)c1ccncc1)/C 1458a_200032421479_200000210301 [0,1,0,0,0,1|0,0,1]=3 513 B15R1.500 C[C@@H](O)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100000717761 [0,1,0,0,0,1|0,0,2]=4 514 B15R1.500 C[C@H](NCC(=O)c1ccncc1)C(=O)O 269956a_100000743915_100000027454 [0,1,0,0,0,1|2,0,0]=4 515 B15R1.500 C[C@H](O)C(=O)NNC(=O)c1ccncc1 22a_100000189768_217856618621 [0,1,0,0,0,1|0,0,2]=4 516 B15R1.882 C=C(C)C=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000210575 [0,1,0,0,0,1|2,0,0]=4 517 B15R1.882 C=C(C)C=NNC(=O)c1ccc(cc1)C 4a_100000189790_100000210575 [0,1,0,0,0,1|2,0,0]=4 518 B15R1.882 C=C(C)C=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000210575 [0,1,0,0,0,1|2,0,0]=4 519 B15R1.882 C=C(C)C=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000210575 [0,1,0,0,0,1|2,0,0]=4 520 B15R1.882 C=C(C)C=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000210575 [0,1,0,0,0,1|2,0,0]=4 521 B15R1.959 C/C(=C/N)/C=NNC(=O)c1ccccc1 4a_100000184135_100050415766 [0,1,0,0,0,1|2,0,0]=4 522 B15R1.959 C/C(=C/N)/C=NNC(=O)c1ccncc1 4a_100000189768_100050415766 [0,1,0,0,0,1|1,0,0]=3 523 B15R1.959 C/C(=C/N)/C=NNC(=O)c1ccncn1 4a_100000084330_100050415766 [0,1,0,0,0,1|2,0,0]=4 524 B15R1.959 C/C=C(\C)/C=NNC(=O)c1ccccc1 4a_100000184135_100020587592 [0,1,0,0,0,1|2,0,0]=4 525 B15R1.959 C/C=C(\C)/C=NNC(=O)c1ccncc1 4a_100000189768_100020587592 [0,1,0,0,0,1|1,0,0]=3 526 B15R1.959 C/C=C(\C)/C=NNC(=O)c1ccncn1 4a_100000084330_100020587592 [0,1,0,0,0,1|2,0,0]=4 527 B15R1.959 CCC(C)C=NNC(=O)c1ccncc1 4a_100000189768_100000243153 [0,1,0,0,0,1|1,0,1]=4 528 B15R1.959 COC(=O)C=NNC(=O)c1ccccc1 4a_100000184135_200011823558 [0,1,0,0,0,1|1,0,1]=4 529 B15R1.959 COC(=O)C=NNC(=O)c1ccncc1 4a_100000189768_200011823558 [0,1,0,0,0,1|0,0,1]=3 530 B15R1.959 COC(=O)C=NNC(=O)c1ccncn1 4a_100000084330_200011823558 [0,1,0,0,0,1|1,0,1]=4 531 B15R1.959 O=C(NN=CC(O)CO)c1ccccc1 4a_100000184135_100000033539 [0,1,0,0,0,1|1,0,1]=4 532 B15R1.959 O=C(NN=CC(O)CO)c1ccncc1 4a_100000189768_100000033539 [0,1,0,0,0,1|0,0,1]=3 533 B15R1.959 O=C(NN=CC(O)CO)c1ccncn1 4a_100000084330_100000033539 [0,1,0,0,0,1|1,0,1]=4 534 B15R1.1076 C=C(C)CN(C)CC(=O)c1ccncc1 269982a_100000225649_100000027454 [0,1,0,0,0,1|2,0,0]=4 535 B15R1.1076 CC(O)CN(C)CC(=O)c1ccncc1 269982a_100000227577_100000027454 [0,1,0,0,0,1|1,0,1]=4 536 B15R1.1076 CN(CC(=O)O)CC(=O)c1ccncc1 269956a_100000746989_100000027454 [0,1,0,0,0,1|2,0,0]=4 537 B15R1.8019 C=C(C)C=NNC(=O)c1ccccc1Br 4a_100000183644_100000210575 [0,1,0,0,0,1|2,0,0]=4 538 B15R1.8019 C=C(C)C=NNC(=O)c1ccccc1C 4a_100000181371_100000210575 [0,1,0,0,0,1|2,0,0]=4 539 B15R1.8019 C=C(C)C=NNC(=O)c1ccccc1Cl 4a_100000186534_100000210575 [0,1,0,0,0,1|2,0,0]=4 540 B15R1.8019 C=C(C)C=NNC(=O)c1ccccc1F 4a_100000183521_100000210575 [0,1,0,0,0,1|2,0,0]=4 541 B15R1.8019 C=C(C)C=NNC(=O)c1ccccc1I 4a_100000190081_100000210575 [0,1,0,0,0,1|2,0,0]=4 542 B15R1.8019 C=C(C)C=NNC(=O)c1ccncc1C 4a_100011996471_100000210575 [0,1,0,0,0,1|1,0,0]=3 543 B15R1.8019 C=C(C)C=NNC(=O)c1ccncc1F 4a_100000702518_100000210575 [0,1,0,0,0,1|1,0,0]=3 544 B15R1.8019 CC(C)C=NNC(=O)c1ccncc1F 4a_100000702518_100000210432 [0,1,0,0,0,1|1,0,1]=4 545 B15R1.8019 Cc1cnccc1C(=O)NN=CC(C)C 4a_100011996471_100000210432 [0,1,0,0,0,1|1,0,1]=4 546 B15R1.8273 C=C(C)C=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000210575 [0,1,0,0,0,1|2,0,0]=4 547 B15R1.8273 C=C(C)C=NNC(=O)c1cccc(c1)C 4a_100000189845_100000210575 [0,1,0,0,0,1|2,0,0]=4 548 B15R1.8273 C=C(C)C=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000210575 [0,1,0,0,0,1|2,0,0]=4 549 B15R1.8273 C=C(C)C=NNC(=O)c1cccc(c1)F 4a_100000189798_100000210575 [0,1,0,0,0,1|2,0,0]=4 550 B15R1.8273 C=C(C)C=NNC(=O)c1cccc(c1)I 4a_100000186306_100000210575 [0,1,0,0,0,1|2,0,0]=4 551 B15R1.8273 C=C(C)C=NNC(=O)c1ccnc(c1)Br 4a_100010138526_100000210575 [0,1,0,0,0,1|1,0,0]=3 552 B15R1.8273 C=C(C)C=NNC(=O)c1ccnc(c1)Cl 4a_100000021280_100000210575 [0,1,0,0,0,1|1,0,0]=3 553 B15R1.8273 CC(C)C=NNC(=O)c1ccnc(c1)Br 4a_100010138526_100000210432 [0,1,0,0,0,1|1,0,1]=4 554 B15R1.8273 CC(C)C=NNC(=O)c1ccnc(c1)Cl 4a_100000021280_100000210432 [0,1,0,0,0,1|1,0,1]=4 555 B15R1.8273 O=C(O)CNCC(=O)c1ccnc(c1)Cl 269956a_100016091260_100009817076 [0,1,0,0,0,1|2,0,0]=4 556 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Br 11a_100000765925_100010126891 [0,1,0,0,0,1|2,0,0]=4 557 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Br 240690a_100000765925_100010126891 [0,1,0,0,0,1|2,0,0]=4 558 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Br 527a_100000765925_100010126891 [0,1,0,0,0,1|2,0,0]=4 559 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Cl 11a_100000765925_100000085289 [0,1,0,0,0,1|2,0,0]=4 560 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Cl 1626a_100000765925_100000085289 [0,1,0,0,0,1|2,0,0]=4 561 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Cl 240690a_100000765925_100000085289 [0,1,0,0,0,1|2,0,0]=4 562 B15R1.120 C=C(C)CNC(=O)Cc1ccnc(c1)Cl 527a_100000765925_100000085289 [0,1,0,0,0,1|2,0,0]=4 563 B15R1.120 CC(=O)NNC(=O)Cc1ccnc(c1)Br 22a_100000189765_100010126891 [0,1,0,0,0,1|0,0,2]=4 564 B15R1.120 CC(=O)NNC(=O)Cc1ccnc(c1)Cl 22a_100000189765_100000085289 [0,1,0,0,0,1|0,0,2]=4 565 B15R1.120 CC(O)CNC(=O)Cc1ccnc(c1)Br 11a_100000210904_100010126891 [0,1,0,0,0,1|1,0,1]=4 566 B15R1.120 CC(O)CNC(=O)Cc1ccnc(c1)Br 240690a_100000210904_100010126891 [0,1,0,0,0,1|1,0,1]=4 567 B15R1.120 CC(O)CNC(=O)Cc1ccnc(c1)Br 527a_100000210904_100010126891 [0,1,0,0,0,1|1,0,1]=4 568 B15R1.120 CC(O)CNC(=O)Cc1ccnc(c1)Cl 11a_100000210904_100000085289 [0,1,0,0,0,1|1,0,1]=4 569 B15R1.120 CC(O)CNC(=O)Cc1ccnc(c1)Cl 240690a_100000210904_100000085289 [0,1,0,0,0,1|1,0,1]=4 570 B15R1.120 CC(O)CNC(=O)Cc1ccnc(c1)Cl 527a_100000210904_100000085289 [0,1,0,0,0,1|1,0,1]=4 571 B15R1.496 C=C(C)CN(C)C(=O)Cc1ccncc1 11a_100000225649_100011201483 [0,1,0,0,0,1|2,0,0]=4 572 B15R1.496 CC(O)CN(C)C(=O)Cc1ccncc1 240690a_100000227577_100011201483 [0,1,0,0,0,1|1,0,1]=4 573 B15R1.964 C#CC(=NNC(=O)Cc1ccccc1)C 4a_100000182964_100000690481 [0,1,0,0,0,1|2,0,0]=4 574 B15R1.964 C#CC(=NNC(=O)Cc1ccncc1)C 4a_100000766356_100000690481 [0,1,0,0,0,1|1,0,0]=3 575 B15R1.964 C=CC(=NNC(=O)Cc1ccccc1)C 4a_100000182964_200015361842 [0,1,0,0,0,1|2,0,0]=4 576 B15R1.964 C=CC(=NNC(=O)Cc1ccncc1)C 4a_100000766356_200015361842 [0,1,0,0,0,1|1,0,0]=3 577 B15R1.964 CC(=NNC(=O)C[n+]1ccccc1)CO 4a_100000199085_100000211253 [0,1,0,0,0,1|2,0,0]=4 578 B15R1.964 CC(=NNC(=O)Cc1ccccc1)CF 4a_100000182964_100000039719 [0,1,0,0,0,1|2,0,0]=4 579 B15R1.964 CC(=NNC(=O)Cc1ccccc1)CO 4a_100000182964_100000211253 [0,1,0,0,0,1|1,0,0]=3 580 B15R1.964 CC(=NNC(=O)Cc1ccccn1)CO 4a_200000059813_100000211253 [0,1,0,0,0,1|2,0,0]=4 581 B15R1.964 CC(=NNC(=O)Cc1ccncc1)CF 4a_100000766356_100000039719 [0,1,0,0,0,1|1,0,0]=3 582 B15R1.964 CC(=NNC(=O)Cc1ccncc1)CO 4a_100000766356_100000211253 [0,1,0,0,0,1|0,0,0]=2 583 B15R1.964 CC(CO)CNC(=O)Cc1ccncc1 240690a_100000744482_100011201483 [0,1,0,0,0,1|1,0,1]=4 584 B15R1.964 CCC(=O)NNC(=O)Cc1ccncc1 22a_100000183195_100011201483 [0,1,0,0,0,1|0,0,2]=4 585 B15R1.964 CCC(=O)NNC(=O)Cc1ccncc1 22a_100000766356_100000210414 [0,1,0,0,0,1|0,0,2]=4 586 B15R1.964 CCC(O)CNC(=O)Cc1ccncc1 11a_100011218483_100011201483 [0,1,0,0,0,1|1,0,1]=4 587 B15R1.964 CCC(O)CNC(=O)Cc1ccncc1 240690a_100011218483_100011201483 [0,1,0,0,0,1|1,0,1]=4 588 B15R1.964 CNC(=O)CNC(=O)Cc1ccncc1 11a_100000693194_100011201483 [0,1,0,0,0,1|1,0,1]=4 589 B15R1.964 CNC(=O)CNC(=O)Cc1ccncc1 240690a_100000693194_100011201483 [0,1,0,0,0,1|1,0,1]=4 590 B15R1.964 CNC(=O)NNC(=O)Cc1ccncc1 273464a_100102657272_100000766356 [0,1,0,0,0,1|0,0,2]=4 591 B15R1.964 CO[C@H](C)CNC(=O)Cc1ccncc1 11a_100020591295_100011201483 [0,1,0,0,0,1|1,0,1]=4 592 B15R1.964 CO[C@H](C)CNC(=O)Cc1ccncc1 240690a_100020591295_100011201483 [0,1,0,0,0,1|1,0,1]=4 593 B15R1.964 O=C(CO)NNC(=O)Cc1ccncc1 22a_100000766356_100000210174 [0,1,0,0,0,1|0,0,2]=4 594 B15R1.964 O=C(Cc1ccncc1)NC[C@H](O)CO 240690a_100020644852_100011201483 [0,1,0,0,0,1|1,0,1]=4 595 B15R1.9108 CC(C)(O)CNC(=O)Cc1ccncc1 240690a_100000751335_100011201483 [0,1,0,0,0,1|1,0,1]=4 596 B15R1.65 CC(=O)NNC(=O)c1ccnc(c1)C#N 22a_200010748321_100000070787 [0,2,0,0,0,0|0,0,2]=4 597 B15R1.133 C#CC(=NNC(=O)c1cccc(c1)Br)C 4a_100000189783_100000690481 [0,2,0,0,0,0|2,0,0]=4 598 B15R1.133 C#CC(=NNC(=O)c1cccc(c1)C)C 4a_100000189845_100000690481 [0,2,0,0,0,0|2,0,0]=4 599 B15R1.133 C#CC(=NNC(=O)c1cccc(c1)Cl)C 4a_100000183659_100000690481 [0,2,0,0,0,0|2,0,0]=4 600 B15R1.133 C#CC(=NNC(=O)c1cccc(c1)F)C 4a_100000189798_100000690481 [0,2,0,0,0,0|2,0,0]=4 601 B15R1.133 C#CC(=NNC(=O)c1cccc(c1)I)C 4a_100000186306_100000690481 [0,2,0,0,0,0|2,0,0]=4 602 B15R1.133 C#CC(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_100000690481 [0,2,0,0,0,0|1,0,0]=3 603 B15R1.133 C#CC(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_100000690481 [0,2,0,0,0,0|1,0,0]=3 604 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)Br)C 4a_100000189783_200015361842 [0,2,0,0,0,0|2,0,0]=4 605 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)C)C 4a_100000189845_200015361842 [0,2,0,0,0,0|2,0,0]=4 606 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)Cl)C 4a_100000183659_200015361842 [0,2,0,0,0,0|2,0,0]=4 607 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)F)C 4a_100000189798_200015361842 [0,2,0,0,0,0|2,0,0]=4 608 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)I)C 4a_100000186306_200015361842 [0,2,0,0,0,0|2,0,0]=4 609 B15R1.133 C=CC(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_200015361842 [0,2,0,0,0,0|1,0,0]=3 610 B15R1.133 C=CC(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_200015361842 [0,2,0,0,0,0|1,0,0]=3 611 B15R1.133 CC(=NNC(=O)c1cc(ccn1)Br)CO 4a_100010175343_100000211253 [0,2,0,0,0,0|2,0,0]=4 612 B15R1.133 CC(=NNC(=O)c1cc(ccn1)Cl)CO 4a_100000017052_100000211253 [0,2,0,0,0,0|2,0,0]=4 613 B15R1.133 CC(=NNC(=O)c1cccc(=O)[nH]1)CO 4a_200013023864_100000211253 [0,2,0,0,0,0|2,0,0]=4 614 B15R1.133 CC(=NNC(=O)c1cccc(c1)Br)CF 4a_100000189783_100000039719 [0,2,0,0,0,0|2,0,0]=4 615 B15R1.133 CC(=NNC(=O)c1cccc(c1)Br)CO 4a_100000189783_100000211253 [0,2,0,0,0,0|1,0,0]=3 616 B15R1.133 CC(=NNC(=O)c1cccc(c1)C)CF 4a_100000189845_100000039719 [0,2,0,0,0,0|2,0,0]=4 617 B15R1.133 CC(=NNC(=O)c1cccc(c1)C)CO 4a_100000189845_100000211253 [0,2,0,0,0,0|1,0,0]=3 618 B15R1.133 CC(=NNC(=O)c1cccc(c1)Cl)CF 4a_100000183659_100000039719 [0,2,0,0,0,0|2,0,0]=4 619 B15R1.133 CC(=NNC(=O)c1cccc(c1)Cl)CO 4a_100000183659_100000211253 [0,2,0,0,0,0|1,0,0]=3 620 B15R1.133 CC(=NNC(=O)c1cccc(c1)F)CF 4a_100000189798_100000039719 [0,2,0,0,0,0|2,0,0]=4 621 B15R1.133 CC(=NNC(=O)c1cccc(c1)F)CO 4a_100000189798_100000211253 [0,2,0,0,0,0|1,0,0]=3 622 B15R1.133 CC(=NNC(=O)c1cccc(c1)I)CF 4a_100000186306_100000039719 [0,2,0,0,0,0|2,0,0]=4 623 B15R1.133 CC(=NNC(=O)c1cccc(c1)I)CO 4a_100000186306_100000211253 [0,2,0,0,0,0|1,0,0]=3 624 B15R1.133 CC(=NNC(=O)c1cccc(n1)C)CO 4a_100000724394_100000211253 [0,2,0,0,0,0|2,0,0]=4 625 B15R1.133 CC(=NNC(=O)c1cccc(n1)Cl)CO 4a_100011631096_100000211253 [0,2,0,0,0,0|2,0,0]=4 626 B15R1.133 CC(=NNC(=O)c1cccc(n1)F)CO 4a_100025773536_100000211253 [0,2,0,0,0,0|2,0,0]=4 627 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Br)CF 4a_100010138526_100000039719 [0,2,0,0,0,0|1,0,0]=3 628 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Br)CO 4a_100010138526_100000211253 [0,2,0,0,0,0|0,0,0]=2 629 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Cl)CF 4a_100000021280_100000039719 [0,2,0,0,0,0|1,0,0]=3 630 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Cl)CO 4a_100000021280_100000211253 [0,2,0,0,0,0|0,0,0]=2 631 B15R1.133 CC(=NNC(=O)c1cncc(c1)Br)CO 4a_100000189809_100000211253 [0,2,0,0,0,0|2,0,0]=4 632 B15R1.133 CCC(=O)NNC(=O)c1ccnc(c1)Br 22a_100010138526_100000210414 [0,2,0,0,0,0|0,0,2]=4 633 B15R1.133 CCC(=O)NNC(=O)c1ccnc(c1)Cl 22a_100000021280_100000210414 [0,2,0,0,0,0|0,0,2]=4 634 B15R1.133 CNC(=O)NNC(=O)c1ccnc(c1)Br 273464a_100102657272_100010138526 [0,2,0,0,0,0|0,0,2]=4 635 B15R1.133 CNC(=O)NNC(=O)c1ccnc(c1)Br 512a_100010138526_100102657272 [0,2,0,0,0,0|0,0,2]=4 636 B15R1.133 CNC(=O)NNC(=O)c1ccnc(c1)Br 512a_106832991638_100010138526 [0,2,0,0,0,0|0,0,2]=4 637 B15R1.133 CNC(=O)NNC(=O)c1ccnc(c1)Cl 273464a_100102657272_100000021280 [0,2,0,0,0,0|0,0,2]=4 638 B15R1.133 CNC(=O)NNC(=O)c1ccnc(c1)Cl 512a_106832991638_100000021280 [0,2,0,0,0,0|0,0,2]=4 639 B15R1.133 O=C(CO)NNC(=O)c1ccnc(c1)Br 22a_100010138526_100000210174 [0,2,0,0,0,0|0,0,2]=4 640 B15R1.133 O=C(CO)NNC(=O)c1ccnc(c1)Cl 22a_100000021280_100000210174 [0,2,0,0,0,0|0,0,2]=4 641 B15R1.5815 C#CC(=NNC(=O)c1ccccc1Br)C 4a_100000183644_100000690481 [0,2,0,0,0,0|2,0,0]=4 642 B15R1.5815 C#CC(=NNC(=O)c1ccccc1C)C 4a_100000181371_100000690481 [0,2,0,0,0,0|2,0,0]=4 643 B15R1.5815 C#CC(=NNC(=O)c1ccccc1Cl)C 4a_100000186534_100000690481 [0,2,0,0,0,0|2,0,0]=4 644 B15R1.5815 C#CC(=NNC(=O)c1ccccc1F)C 4a_100000183521_100000690481 [0,2,0,0,0,0|2,0,0]=4 645 B15R1.5815 C#CC(=NNC(=O)c1ccccc1I)C 4a_100000190081_100000690481 [0,2,0,0,0,0|2,0,0]=4 646 B15R1.5815 C#CC(=NNC(=O)c1ccncc1C)C 4a_100011996471_100000690481 [0,2,0,0,0,0|1,0,0]=3 647 B15R1.5815 C#CC(=NNC(=O)c1ccncc1F)C 4a_100000702518_100000690481 [0,2,0,0,0,0|1,0,0]=3 648 B15R1.5815 C=CC(=NNC(=O)c1ccccc1Br)C 4a_100000183644_200015361842 [0,2,0,0,0,0|2,0,0]=4 649 B15R1.5815 C=CC(=NNC(=O)c1ccccc1C)C 4a_100000181371_200015361842 [0,2,0,0,0,0|2,0,0]=4 650 B15R1.5815 C=CC(=NNC(=O)c1ccccc1Cl)C 4a_100000186534_200015361842 [0,2,0,0,0,0|2,0,0]=4 651 B15R1.5815 C=CC(=NNC(=O)c1ccccc1F)C 4a_100000183521_200015361842 [0,2,0,0,0,0|2,0,0]=4 652 B15R1.5815 C=CC(=NNC(=O)c1ccccc1I)C 4a_100000190081_200015361842 [0,2,0,0,0,0|2,0,0]=4 653 B15R1.5815 C=CC(=NNC(=O)c1ccncc1C)C 4a_100011996471_200015361842 [0,2,0,0,0,0|1,0,0]=3 654 B15R1.5815 C=CC(=NNC(=O)c1ccncc1F)C 4a_100000702518_200015361842 [0,2,0,0,0,0|1,0,0]=3 655 B15R1.5815 CC(=NNC(=O)c1ccccc1Br)CF 4a_100000183644_100000039719 [0,2,0,0,0,0|2,0,0]=4 656 B15R1.5815 CC(=NNC(=O)c1ccccc1Br)CO 4a_100000183644_100000211253 [0,2,0,0,0,0|1,0,0]=3 657 B15R1.5815 CC(=NNC(=O)c1ccccc1C)CF 4a_100000181371_100000039719 [0,2,0,0,0,0|2,0,0]=4 658 B15R1.5815 CC(=NNC(=O)c1ccccc1C)CO 4a_100000181371_100000211253 [0,2,0,0,0,0|1,0,0]=3 659 B15R1.5815 CC(=NNC(=O)c1ccccc1Cl)CF 4a_100000186534_100000039719 [0,2,0,0,0,0|2,0,0]=4 660 B15R1.5815 CC(=NNC(=O)c1ccccc1Cl)CO 4a_100000186534_100000211253 [0,2,0,0,0,0|1,0,0]=3 661 B15R1.5815 CC(=NNC(=O)c1ccccc1F)CF 4a_100000183521_100000039719 [0,2,0,0,0,0|2,0,0]=4 662 B15R1.5815 CC(=NNC(=O)c1ccccc1F)CO 4a_100000183521_100000211253 [0,2,0,0,0,0|1,0,0]=3 663 B15R1.5815 CC(=NNC(=O)c1ccccc1I)CF 4a_100000190081_100000039719 [0,2,0,0,0,0|2,0,0]=4 664 B15R1.5815 CC(=NNC(=O)c1ccccc1I)CO 4a_100000190081_100000211253 [0,2,0,0,0,0|1,0,0]=3 665 B15R1.5815 CC(=NNC(=O)c1cccnc1C)CO 4a_100012021714_100000211253 [0,2,0,0,0,0|2,0,0]=4 666 B15R1.5815 CC(=NNC(=O)c1ccncc1C)CF 4a_100011996471_100000039719 [0,2,0,0,0,0|1,0,0]=3 667 B15R1.5815 CC(=NNC(=O)c1ccncc1C)CO 4a_100011996471_100000211253 [0,2,0,0,0,0|0,0,0]=2 668 B15R1.5815 CC(=NNC(=O)c1ccncc1F)CF 4a_100000702518_100000039719 [0,2,0,0,0,0|1,0,0]=3 669 B15R1.5815 CC(=NNC(=O)c1ccncc1F)CO 4a_100000702518_100000211253 [0,2,0,0,0,0|0,0,0]=2 670 B15R1.5815 CCC(=O)NNC(=O)c1ccncc1C 22a_100011996471_100000210414 [0,2,0,0,0,0|0,0,2]=4 671 B15R1.5815 CCC(=O)NNC(=O)c1ccncc1F 22a_100000702518_100000210414 [0,2,0,0,0,0|0,0,2]=4 672 B15R1.5815 CNC(=O)NNC(=O)c1ccncc1C 273464a_100102657272_100011996471 [0,2,0,0,0,0|0,0,2]=4 673 B15R1.5815 CNC(=O)NNC(=O)c1ccncc1C 512a_106832991638_100011996471 [0,2,0,0,0,0|0,0,2]=4 674 B15R1.5815 CNC(=O)NNC(=O)c1ccncc1F 273464a_100102657272_100000702518 [0,2,0,0,0,0|0,0,2]=4 675 B15R1.5815 CNC(=O)NNC(=O)c1ccncc1F 512a_106832991638_100000702518 [0,2,0,0,0,0|0,0,2]=4 676 B15R1.5815 Cc1cnccc1C(=O)NNC(=O)CO 22a_100011996471_100000210174 [0,2,0,0,0,0|0,0,2]=4 677 B15R1.5815 O=C(CO)NNC(=O)c1ccncc1F 22a_100000702518_100000210174 [0,2,0,0,0,0|0,0,2]=4 678 B15R1.89 C=CCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000210193 [0,2,0,0,0,0|0,0,2]=4 679 B15R1.89 CC#CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000763181 [0,2,0,0,0,0|0,0,2]=4 680 B15R1.89 CC(=NNC(=O)c1ccccc1)CC#N 4a_100000184135_100011229364 [0,2,0,0,0,0|2,0,0]=4 681 B15R1.89 CC(=NNC(=O)c1ccncc1)CC#N 4a_100000189768_100011229364 [0,2,0,0,0,0|1,0,0]=3 682 B15R1.89 CC(=NNC(=O)c1ccncn1)CC#N 4a_100000084330_100011229364 [0,2,0,0,0,0|2,0,0]=4 683 B15R1.89 CC=CC(=NNC(=O)c1ccccc1)C 4a_100000184135_100011218416 [0,2,0,0,0,0|2,0,0]=4 684 B15R1.89 CC=CC(=NNC(=O)c1ccncc1)C 4a_100000189768_100011218416 [0,2,0,0,0,0|1,0,0]=3 685 B15R1.89 CC=CC(=NNC(=O)c1ccncn1)C 4a_100000084330_100011218416 [0,2,0,0,0,0|2,0,0]=4 686 B15R1.89 CC=CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000210699 [0,2,0,0,0,0|0,0,2]=4 687 B15R1.89 CCCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000211909 [0,2,0,0,0,0|2,0,0]=4 688 B15R1.89 CCCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000211909 [0,2,0,0,0,0|1,0,0]=3 689 B15R1.89 CCCC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000211909 [0,2,0,0,0,0|2,0,0]=4 690 B15R1.89 CCCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000211992 [0,2,0,0,0,0|0,0,2]=4 691 B15R1.89 CCNC(=O)NNC(=O)c1ccncc1 273464a_100015525214_100000189768 [0,2,0,0,0,0|0,0,2]=4 692 B15R1.89 CCNC(=O)NNC(=O)c1ccncc1 512a_100015525214_100000189768 [0,2,0,0,0,0|0,0,2]=4 693 B15R1.89 CNNC(=O)NNC(=O)c1ccncc1 512a_100016993582_100000189768 [0,2,0,0,0,0|0,0,2]=4 694 B15R1.89 COCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000749346 [0,2,0,0,0,0|1,0,0]=3 695 B15R1.89 COCC(=NNC(=O)c1ccccn1)C 4a_100000184044_100000749346 [0,2,0,0,0,0|2,0,0]=4 696 B15R1.89 COCC(=NNC(=O)c1cccnc1)C 4a_100000189771_100000749346 [0,2,0,0,0,0|2,0,0]=4 697 B15R1.89 COCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000749346 [0,2,0,0,0,0|0,0,0]=2 698 B15R1.89 COCC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000749346 [0,2,0,0,0,0|1,0,0]=3 699 B15R1.89 COCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000210968 [0,2,0,0,0,0|0,0,2]=4 700 B15R1.89 CSCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100011216314 [0,2,0,0,0,0|1,1,0]=4 701 B15R1.89 CSCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100011216314 [0,2,0,0,0,0|0,1,0]=3 702 B15R1.89 CSCC(=NNC(=O)c1ccncn1)C 4a_100000084330_100011216314 [0,2,0,0,0,0|1,1,0]=4 703 B15R1.89 CSCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000184570 [0,2,0,0,0,0|0,0,2]=4 704 B15R1.89 N#CCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100051588842 [0,2,0,0,0,0|0,0,2]=4 705 B15R1.89 O=C(CCO)NNC(=O)c1ccncc1 22a_100000189768_100011216618 [0,2,0,0,0,0|0,0,2]=4 706 B15R1.132 C#CC(=NNC(=O)c1ccc(cc1)Br)C 4a_100000183614_100000690481 [0,2,0,0,0,0|2,0,0]=4 707 B15R1.132 C#CC(=NNC(=O)c1ccc(cc1)C)C 4a_100000189790_100000690481 [0,2,0,0,0,0|2,0,0]=4 708 B15R1.132 C#CC(=NNC(=O)c1ccc(cc1)Cl)C 4a_100000184390_100000690481 [0,2,0,0,0,0|2,0,0]=4 709 B15R1.132 C#CC(=NNC(=O)c1ccc(cc1)F)C 4a_100000182866_100000690481 [0,2,0,0,0,0|2,0,0]=4 710 B15R1.132 C#CC(=NNC(=O)c1ccc(cc1)I)C 4a_100000189773_100000690481 [0,2,0,0,0,0|2,0,0]=4 711 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)Br)C 4a_100000183614_200015361842 [0,2,0,0,0,0|2,0,0]=4 712 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)C)C 4a_100000189790_200015361842 [0,2,0,0,0,0|2,0,0]=4 713 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)Cl)C 4a_100000184390_200015361842 [0,2,0,0,0,0|2,0,0]=4 714 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)F)C 4a_100000182866_200015361842 [0,2,0,0,0,0|2,0,0]=4 715 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)I)C 4a_100000189773_200015361842 [0,2,0,0,0,0|2,0,0]=4 716 B15R1.132 CC(=NNC(=O)c1ccc(=O)[nH]c1)CO 4a_100000189851_100000211253 [0,2,0,0,0,0|2,0,0]=4 717 B15R1.132 CC(=NNC(=O)c1ccc(cc1)Br)CF 4a_100000183614_100000039719 [0,2,0,0,0,0|2,0,0]=4 718 B15R1.132 CC(=NNC(=O)c1ccc(cc1)Br)CO 4a_100000183614_100000211253 [0,2,0,0,0,0|1,0,0]=3 719 B15R1.132 CC(=NNC(=O)c1ccc(cc1)C)CF 4a_100000189790_100000039719 [0,2,0,0,0,0|2,0,0]=4 720 B15R1.132 CC(=NNC(=O)c1ccc(cc1)C)CO 4a_100000189790_100000211253 [0,2,0,0,0,0|1,0,0]=3 721 B15R1.132 CC(=NNC(=O)c1ccc(cc1)Cl)CF 4a_100000184390_100000039719 [0,2,0,0,0,0|2,0,0]=4 722 B15R1.132 CC(=NNC(=O)c1ccc(cc1)Cl)CO 4a_100000184390_100000211253 [0,2,0,0,0,0|1,0,0]=3 723 B15R1.132 CC(=NNC(=O)c1ccc(cc1)F)CF 4a_100000182866_100000039719 [0,2,0,0,0,0|2,0,0]=4 724 B15R1.132 CC(=NNC(=O)c1ccc(cc1)F)CO 4a_100000182866_100000211253 [0,2,0,0,0,0|1,0,0]=3 725 B15R1.132 CC(=NNC(=O)c1ccc(cc1)I)CF 4a_100000189773_100000039719 [0,2,0,0,0,0|2,0,0]=4 726 B15R1.132 CC(=NNC(=O)c1ccc(cc1)I)CO 4a_100000189773_100000211253 [0,2,0,0,0,0|1,0,0]=3 727 B15R1.132 CC(=NNC(=O)c1ccc(cn1)Br)CO 4a_100011781063_100000211253 [0,2,0,0,0,0|2,0,0]=4 728 B15R1.132 CC(=NNC(=O)c1ccc(cn1)Cl)CO 4a_100012017650_100000211253 [0,2,0,0,0,0|2,0,0]=4 729 B15R1.132 CC(=NNC(=O)c1ccc(cn1)F)CO 4a_100012021870_100000211253 [0,2,0,0,0,0|2,0,0]=4 730 B15R1.132 CC(=NNC(=O)c1ccc(nc1)C)CO 4a_100011193134_100000211253 [0,2,0,0,0,0|2,0,0]=4 731 B15R1.132 CC(=NNC(=O)c1ccc(nc1)Cl)CO 4a_100000189807_100000211253 [0,2,0,0,0,0|2,0,0]=4 732 B15R1.652 C=CC(=NNC(=O)c1ccccc1)CC 4a_100000184135_100000747743 [0,2,0,0,0,0|2,0,0]=4 733 B15R1.652 C=CC(=NNC(=O)c1ccncc1)CC 4a_100000189768_100000747743 [0,2,0,0,0,0|1,0,0]=3 734 B15R1.652 C=CC(=NNC(=O)c1ccncn1)CC 4a_100000084330_100000747743 [0,2,0,0,0,0|2,0,0]=4 735 B15R1.652 CCC(=NNC(=O)c1ccccc1)CC 4a_100000184135_100000210860 [0,2,0,0,0,0|2,0,0]=4 736 B15R1.652 CCC(=NNC(=O)c1ccccc1)CO 4a_100000184135_100000725409 [0,2,0,0,0,0|1,0,0]=3 737 B15R1.652 CCC(=NNC(=O)c1ccccn1)CO 4a_100000184044_100000725409 [0,2,0,0,0,0|2,0,0]=4 738 B15R1.652 CCC(=NNC(=O)c1cccnc1)CO 4a_100000189771_100000725409 [0,2,0,0,0,0|2,0,0]=4 739 B15R1.652 CCC(=NNC(=O)c1ccncc1)CC 4a_100000189768_100000210860 [0,2,0,0,0,0|1,0,0]=3 740 B15R1.652 CCC(=NNC(=O)c1ccncc1)CO 4a_100000189768_100000725409 [0,2,0,0,0,0|0,0,0]=2 741 B15R1.652 CCC(=NNC(=O)c1ccncn1)CC 4a_100000084330_100000210860 [0,2,0,0,0,0|2,0,0]=4 742 B15R1.652 CCC(=NNC(=O)c1ccncn1)CO 4a_100000084330_100000725409 [0,2,0,0,0,0|1,0,0]=3 743 B15R1.652 O=C(NN=C(CF)CF)c1ccccc1 4a_100000184135_100000041867 [0,2,0,0,0,0|2,0,0]=4 744 B15R1.652 O=C(NN=C(CF)CF)c1ccncc1 4a_100000189768_100000041867 [0,2,0,0,0,0|1,0,0]=3 745 B15R1.652 O=C(NN=C(CF)CF)c1ccncn1 4a_100000084330_100000041867 [0,2,0,0,0,0|2,0,0]=4 746 B15R1.652 O=C(NN=C(CO)CO)c1ccccc1 4a_100000184135_100000036256 [0,2,0,0,0,0|1,0,0]=3 747 B15R1.652 O=C(NN=C(CO)CO)c1ccccn1 4a_100000184044_100000036256 [0,2,0,0,0,0|2,0,0]=4 748 B15R1.652 O=C(NN=C(CO)CO)c1cccnc1 4a_100000189771_100000036256 [0,2,0,0,0,0|2,0,0]=4 749 B15R1.652 O=C(NN=C(CO)CO)c1ccncc1 4a_100000189768_100000036256 [0,2,0,0,0,0|0,0,0]=2 750 B15R1.652 O=C(NN=C(CO)CO)c1ccncn1 4a_100000084330_100000036256 [0,2,0,0,0,0|1,0,0]=3 751 B13R2.10 Brc1cc([nH]n1)c2ccncc2 271570a_100000752145_100160470719 [1,0,0,1,0,0|2,0,0]=4 752 B13R2.10 Cc1c[nH]c(n1)c2ccncc2 271570a_100000752145_100161115468 [1,0,0,1,0,0|2,0,0]=4 753 B13R2.10 Cc1cc(sn1)c2ccncc2 271570a_100000752145_100009815735 [1,0,0,1,0,0|2,0,0]=4 754 B13R2.10 Cc1ncc(s1)c2ccncc2 271570a_100000696845_100000035832 [1,0,0,1,0,0|1,1,0]=4 755 B13R2.10 Cc1ncc(s1)c2ccncc2 271570a_100000752145_100000764884 [1,0,0,1,0,0|1,1,0]=4 756 B13R2.10 Cc1nnc(o1)c2ccncc2 271570a_100000752145_100000708914 [1,0,0,1,0,0|0,0,2]=4 757 B13R2.10 Cc1nnc(s1)c2ccncc2 271570a_100000752145_100000686958 [1,0,0,1,0,0|0,1,1]=4 758 B13R2.10 Cc1nsc(n1)c2ccncc2 271570a_100000752145_100000709739 [1,0,0,1,0,0|2,0,0]=4 759 B13R2.10 Oc1n[nH]c(n1)c2ccccc2 271570a_203496583355_100010173362 [1,0,0,1,0,0|2,0,0]=4 760 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [1,0,0,1,0,0|1,0,0]=3 761 B13R2.371 O=c1[nH]nc(c2c1cccn2)O 271570a_203496583355_200021304518 [1,0,0,1,0,0|2,0,0]=4 762 B13R2.371 O=c1[nH]nc(c2c1nccc2)O 271570a_203496583355_100021647086 [1,0,0,1,0,0|2,0,0]=4 763 B15R2.612 O=C(CN1CC(C1)O)c2ccncc2 269982a_100000749847_100000027454 [0,0,0,1,0,1|1,0,1]=4 764 B15R2.14628 C=C(C)c1n[nH]c(=O)c2c1cccc2 271570a_100000694244_100010235092 [0,0,0,1,0,1|2,0,0]=4 765 B15R2.16442 O=C(NN=CC1CC1)c2ccncc2 4a_100000189768_100000741477 [0,0,0,1,0,1|1,0,1]=4 766 B15R2.33 Cc1c[nH]c(=O)c(n1)c2ccncc2 271570a_100000752145_100009858157 [0,0,0,1,0,1|2,0,0]=4 767 B15R2.33 Cc1cc(c(=O)[nH]n1)c2ccccc2 271570a_100011218836_100009819039 [0,0,0,1,0,1|2,0,0]=4 768 B15R2.33 Cc1cc(c(=O)[nH]n1)c2ccncc2 271570a_100000752145_100009819039 [0,0,0,1,0,1|1,0,0]=3 769 B15R2.596 O=C(Cc1ccncc1)N2CC(C2)O 11a_100000749847_100011201483 [0,0,0,1,0,1|1,0,1]=4 770 B15R2.596 O=C(Cc1ccncc1)N2CC(C2)O 240690a_100000749847_100011201483 [0,0,0,1,0,1|1,0,1]=4 771 B15R2.94 Cc1cc(cnc1O)c2ccncc2 271570a_100000752145_100000685391 [0,1,0,1,0,0|2,0,0]=4 772 B15R2.94 Cc1ncc(cc1O)c2ccncc2 271570a_100000752145_100009864810 [0,1,0,1,0,0|2,0,0]=4 773 B15R2.16439 O=C(NN=C1CCC1)c2ccccc2 4a_100000184135_100000241760 [0,1,0,1,0,0|2,0,0]=4 774 B15R2.16439 O=C(NN=C1CCC1)c2ccncc2 4a_100000189768_100000241760 [0,1,0,1,0,0|1,0,0]=3 775 B15R2.16439 O=C(NN=C1CCC1)c2ccncn2 4a_100000084330_100000241760 [0,1,0,1,0,0|2,0,0]=4 776 B15R2.16439 O=C(NN=C1COC1)c2ccccc2 4a_100000184135_100000058695 [0,1,0,1,0,0|1,0,0]=3 777 B15R2.16439 O=C(NN=C1COC1)c2ccccn2 4a_100000184044_100000058695 [0,1,0,1,0,0|2,0,0]=4 778 B15R2.16439 O=C(NN=C1COC1)c2cccnc2 4a_100000189771_100000058695 [0,1,0,1,0,0|2,0,0]=4 779 B15R2.16439 O=C(NN=C1COC1)c2ccncc2 4a_100000189768_100000058695 [0,1,0,1,0,0|0,0,0]=2 780 B15R2.16439 O=C(NN=C1COC1)c2ccncn2 4a_100000084330_100000058695 [0,1,0,1,0,0|1,0,0]=3 781 B15R2.16439 O=C(NN=C1CSC1)c2ccccc2 4a_100000184135_100000073008 [0,1,0,1,0,0|1,1,0]=4 782 B15R2.16439 O=C(NN=C1CSC1)c2ccncc2 4a_100000189768_100000073008 [0,1,0,1,0,0|0,1,0]=3 783 B15R2.16439 O=C(NN=C1CSC1)c2ccncn2 4a_100000084330_100000073008 [0,1,0,1,0,0|1,1,0]=4 784 B15R2.389 Cc1ncc(c(=O)[nH]1)c2ccncc2 271570a_100000752145_100011999157 [0,1,0,1,0,0|2,0,0]=4 785 B15R2.389 O=c1[nH]c(ncc1c2ccncc2)O 271570a_100000752145_100011215686 [0,1,0,1,0,0|2,0,0]=4 786 B11R1.29 CC=NNC(=O)c1cc[nH]n1 4a_100011273208_200000210099 [1,0,0,0,1,0|1,0,1]=4 787 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [1,0,0,0,1,0|1,0,0]=3 788 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [1,0,0,0,1,0|1,0,0]=3 789 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [1,0,0,0,1,0|1,0,0]=3 790 B11R1.29 CC=NNC(=O)c1ccoc1 4a_100000233958_200000210099 [1,0,0,0,1,0|1,0,0]=3 791 B11R1.29 CC=NNC(=O)c1ccsc1 4a_100000193922_200000210099 [1,0,0,0,1,0|1,0,0]=3 792 B11R1.29 CC=NNC(=O)c1cn[nH]c1 4a_100011317056_200000210099 [1,0,0,0,1,0|1,0,0]=3 793 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [1,0,0,0,1,0|1,0,0]=3 794 B11R1.29 CC=NNC(=O)c1cncs1 4a_200000241815_200000210099 [1,0,0,0,1,0|1,0,0]=3 795 B11R1.29 CC=NNC(=O)c1cocn1 4a_100000084333_200000210099 [1,0,0,0,1,0|2,0,0]=4 796 B11R1.29 CC=NNC(=O)c1cscn1 4a_100011794543_200000210099 [1,0,0,0,1,0|2,0,0]=4 797 B11R1.29 CC=NNC(=O)c1nccs1 4a_100000077877_200000210099 [1,0,0,0,1,0|2,0,0]=4 798 B11R1.29 CC=NNC(=O)c1nnc[nH]1 4a_100011787719_200000210099 [1,0,0,0,1,0|2,0,0]=4 799 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,1,0|1,0,1]=4 800 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,1,0|0,0,2]=4 801 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,1,0|0,0,2]=4 802 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,1,0|0,0,2]=4 803 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,1,0|0,0,2]=4 804 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [1,0,0,0,1,0|0,0,2]=4 805 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [1,0,0,0,1,0|1,0,1]=4 806 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,1,0|1,0,1]=4 807 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,0,0,0,2,0|2,0,0]=4 808 B13R1.44 C=CCNC(=O)Cc1ccncc1 240690a_100020586998_100011201483 [1,0,0,0,0,1|1,0,1]=4 809 B13R1.44 CC=CCC(=O)Cc1ccncc1 1458a_100121576822_100000705612 [1,0,0,0,0,1|2,0,0]=4 810 B13R1.44 CC=NNC(=O)C[n+]1ccccc1 4a_100000199085_200000210099 [1,0,0,0,0,1|2,0,0]=4 811 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [1,0,0,0,0,1|1,0,0]=3 812 B13R1.44 CC=NNC(=O)Cc1ccccn1 4a_200000059813_200000210099 [1,0,0,0,0,1|2,0,0]=4 813 B13R1.44 CC=NNC(=O)Cc1ccncc1 4a_100000766356_200000210099 [1,0,0,0,0,1|0,0,0]=2 814 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [1,0,0,0,0,1|1,0,1]=4 815 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [1,0,0,0,0,1|1,0,1]=4 816 B13R1.44 CCNNC(=O)Cc1ccncc1 22a_100000756455_100011201483 [1,0,0,0,0,1|0,0,2]=4 817 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [1,0,0,0,0,1|1,0,1]=4 818 B13R1.337 C=C(C)C=NNCc1ccncc1 4a_100000736929_100000210575 [1,0,0,0,0,1|1,0,1]=4 819 B13R1.337 CC(O)CNN=Cc1ccncc1 4a_200000730056_100000186114 [1,0,0,0,0,1|1,0,1]=4 820 B13R1.342 C=C(C)C=NNC(=O)c1ccc[nH]1 4a_100000018271_100000210575 [0,0,0,0,1,1|2,0,0]=4 821 B13R1.342 C=C(C)C=NNC(=O)c1ccco1 4a_100000185077_100000210575 [0,0,0,0,1,1|2,0,0]=4 822 B13R1.342 C=C(C)C=NNC(=O)c1cccs1 4a_100000184746_100000210575 [0,0,0,0,1,1|2,0,0]=4 823 B13R1.342 C=C(C)C=NNC(=O)c1ccoc1 4a_100000233958_100000210575 [0,0,0,0,1,1|2,0,0]=4 824 B13R1.342 C=C(C)C=NNC(=O)c1ccsc1 4a_100000193922_100000210575 [0,0,0,0,1,1|2,0,0]=4 825 B13R1.342 C=C(C)C=NNC(=O)c1cn[nH]c1 4a_100011317056_100000210575 [0,0,0,0,1,1|2,0,0]=4 826 B13R1.342 C=C(C)C=NNC(=O)c1cnco1 4a_100000081316_100000210575 [0,0,0,0,1,1|2,0,0]=4 827 B13R1.342 C=C(C)C=NNC(=O)c1cncs1 4a_200000241815_100000210575 [0,0,0,0,1,1|2,0,0]=4 828 B15R1.497 CC(=CC=NNC(=O)c1ccccc1)C 4a_100000184135_100011215525 [0,0,0,0,0,2|2,0,0]=4 829 B15R1.497 CC(=CC=NNC(=O)c1ccncc1)C 4a_100000189768_100011215525 [0,0,0,0,0,2|1,0,0]=3 830 B15R1.497 CC(=CC=NNC(=O)c1ccncn1)C 4a_100000084330_100011215525 [0,0,0,0,0,2|2,0,0]=4 831 B15R1.497 CC(=O)NCCNC(=O)c1ccncc1 1626a_200011198449_100015343762 [0,0,0,0,0,2|0,0,2]=4 832 B15R1.497 CC(=O)NCCNC(=O)c1ccncc1 240690a_200011198449_100015343762 [0,0,0,0,0,2|0,0,2]=4 833 B15R1.497 CC(=O)NCCNC(=O)c1ccncc1 527a_200011198449_100103153847 [0,0,0,0,0,2|0,0,2]=4 834 B15R1.497 CC(C)CC=NNC(=O)c1ccncc1 4a_100000189768_100000185833 [0,0,0,0,0,2|1,0,1]=4 835 B15R1.497 O=C(O)CONCC(=O)c1ccncc1 269956a_100000106656_100000027454 [0,0,0,0,0,2|2,0,0]=4 836 B15R1.1081 C=C(C)C=NNC(=O)Cc1ccccc1 4a_100000182964_100000210575 [0,0,0,0,0,2|2,0,0]=4 837 B15R1.1081 C=C(C)C=NNC(=O)Cc1ccncc1 4a_100000766356_100000210575 [0,0,0,0,0,2|1,0,0]=3 838 B15R1.1081 C=C(C)CNNC(=O)Cc1ccncc1 22a_100000729518_100011201483 [0,0,0,0,0,2|1,0,1]=4 839 B15R1.1081 CC(=CCNC(=O)Cc1ccncc1)C 11a_100000718196_100011201483 [0,0,0,0,0,2|2,0,0]=4 840 B15R1.1081 CC(C)C=NNC(=O)Cc1ccncc1 4a_100000766356_100000210432 [0,0,0,0,0,2|1,0,1]=4 841 B15R1.1081 CC(O)CCNC(=O)Cc1ccncc1 240690a_200000755665_100011201483 [0,0,0,0,0,2|1,0,1]=4 842 B15R1.1081 CC(O)CNCC(=O)Nc1ccncc1 2230a_100000210904_100000754145 [0,0,0,0,0,2|1,0,1]=4 843 B15R1.1081 CC(O)CNNC(=O)Cc1ccncc1 22a_200000730056_100011201483 [0,0,0,0,0,2|0,0,2]=4 844 B15R1.1081 O=C(O)CNCC(=O)Nc1ccncc1 269956a_100016091260_100000754145 [0,0,0,0,0,2|2,0,0]=4 845 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccncc1 240690a_100000765925_100000682801 [0,0,0,0,0,2|2,0,0]=4 846 B15R1.5919 C=C(C)CNC(=O)CCc1ccncc1 11a_100000765925_100011225043 [0,0,0,0,0,2|2,0,0]=4 847 B15R1.5919 C=C(C)CNC(=O)CCc1ccncc1 240690a_100000765925_100011225043 [0,0,0,0,0,2|2,0,0]=4 848 B15R1.5919 C=C(C)CNC(=O)CCc1ccncc1 527a_100000765925_100011225043 [0,0,0,0,0,2|2,0,0]=4 849 B15R1.5919 C=C(C)CNC(=O)CSc1ccncc1 11a_100000765925_100000211328 [0,0,0,0,0,2|2,0,0]=4 850 B15R1.5919 C=C(C)CNC(=O)CSc1ccncc1 1626a_100000765925_100000211328 [0,0,0,0,0,2|2,0,0]=4 851 B15R1.5919 C=C(C)CNC(=O)CSc1ccncc1 240690a_100000765925_100000211328 [0,0,0,0,0,2|2,0,0]=4 852 B15R1.5919 C=C(C)CNC(=O)CSc1ccncc1 527a_100000765925_100000211328 [0,0,0,0,0,2|2,0,0]=4 853 B15R1.5919 C=C(C)CNC(=O)NCc1ccncc1 2708a_100000210450_100000765925 [0,0,0,0,0,2|2,0,0]=4 854 B15R1.5919 C=C(C)CNC(=O)NCc1ccncc1 2708a_100000765925_100000210450 [0,0,0,0,0,2|2,0,0]=4 855 B15R1.5919 C=C(C)CNC(=O)NCc1ccncc1 273464a_100000210450_100000765925 [0,0,0,0,0,2|2,0,0]=4 856 B15R1.5919 C=C(C)CNC(=O)NCc1ccncc1 273464a_100000765925_100000210450 [0,0,0,0,0,2|2,0,0]=4 857 B15R1.5919 C=C(C)CNC(=O)NCc1ccncc1 512a_100000765925_100000210450 [0,0,0,0,0,2|2,0,0]=4 858 B15R1.5919 C=C(C)CNC(=O)NNc1ccncc1 273464a_100000765925_100000698918 [0,0,0,0,0,2|2,0,0]=4 859 B15R1.5919 C=C(C)CNC(=O)NNc1ccncc1 512a_100000765925_100000698918 [0,0,0,0,0,2|2,0,0]=4 860 B15R1.5919 CC(=O)NNC(=O)C=Cc1ccncc1 22a_100000189765_100000682801 [0,0,0,0,0,2|0,0,2]=4 861 B15R1.5919 CC(=O)NNC(=O)CCc1ccncc1 22a_100000189765_100011225043 [0,0,0,0,0,2|0,0,2]=4 862 B15R1.5919 CC(=O)NNC(=O)CSc1ccncc1 22a_100000189765_100000211328 [0,0,0,0,0,2|0,0,2]=4 863 B15R1.5919 CC(=O)NNC(=O)CSc1ccncc1 62a_100000181415_100000728582 [0,0,0,0,0,2|0,0,2]=4 864 B15R1.5919 CC(=O)NNC(=O)CSc1ccncc1 62a_100000728582_100000181415 [0,0,0,0,0,2|0,0,2]=4 865 B15R1.5919 CC(=O)NNC(=O)NCc1ccncc1 273464a_100000210450_100000189765 [0,0,0,0,0,2|0,0,2]=4 866 B15R1.5919 CC(=O)NNC(=O)NCc1ccncc1 512a_100000189765_100000210450 [0,0,0,0,0,2|0,0,2]=4 867 B15R1.5919 CC(=O)NNC(=O)NNc1ccncc1 512a_100000189765_100000698918 [0,0,0,0,0,2|0,0,2]=4 868 B15R1.5919 CC(O)CNC(=O)C=Cc1ccncc1 240690a_100000210904_100000682801 [0,0,0,0,0,2|1,0,1]=4 869 B15R1.5919 CC(O)CNC(=O)CCc1ccncc1 11a_100000210904_100011225043 [0,0,0,0,0,2|1,0,1]=4 870 B15R1.5919 CC(O)CNC(=O)CCc1ccncc1 240690a_100000210904_100011225043 [0,0,0,0,0,2|1,0,1]=4 871 B15R1.5919 CC(O)CNC(=O)CCc1ccncc1 527a_100000210904_100011225043 [0,0,0,0,0,2|1,0,1]=4 872 B15R1.5919 CC(O)CNC(=O)CSc1ccncc1 11a_100000210904_100000211328 [0,0,0,0,0,2|1,0,1]=4 873 B15R1.5919 CC(O)CNC(=O)CSc1ccncc1 240690a_100000210904_100000211328 [0,0,0,0,0,2|1,0,1]=4 874 B15R1.5919 CC(O)CNC(=O)CSc1ccncc1 527a_100000210904_100000211328 [0,0,0,0,0,2|1,0,1]=4 875 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 2708a_100000210450_100000210904 [0,0,0,0,0,2|1,0,1]=4 876 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 273464a_100000210450_100000210904 [0,0,0,0,0,2|1,0,1]=4 877 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 273464a_100000210904_100000210450 [0,0,0,0,0,2|1,0,1]=4 878 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 512a_100000210904_100000210450 [0,0,0,0,0,2|1,0,1]=4 879 B15R1.5919 CC(O)CNC(=O)NNc1ccncc1 273464a_100000210904_100000698918 [0,0,0,0,0,2|1,0,1]=4 880 B15R1.5919 CC(O)CNC(=O)NNc1ccncc1 512a_100000210904_100000698918 [0,0,0,0,0,2|1,0,1]=4