0 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [0,0,0,0,0,0|2,0,2]=4 2 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [0,0,0,0,0,0|1,0,3]=4 3 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [0,0,0,0,0,0|2,0,2]=4 4 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210303 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210303 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100000210303_100010171453 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210303 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.1054 CCCSc1cc(c2ccccc2c1)O 62a_100000210303_100010089979 [0,0,0,0,0,0|2,0,2]=4 12 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [0,0,0,0,0,0|2,0,1]=3 13 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100000210303_100009957331 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210303 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 2230a_100015525214_100000182789 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.1054 COCSc1cc2ccccc2c(=O)[nH]1 62a_100000766300_200015811170 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.1054 CSCSc1cc2ccccc2c(=O)[nH]1 62a_100011218213_200015811170 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCF 62a_100011217306_200015811170 [0,0,0,0,0,0|3,0,1]=4 19 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCO 62a_100000211926_200015811170 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,0,0,0|1,0,2]=4 21 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,0,0,0|1,0,2]=4 22 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,0,0,0,0|2,0,1]=4 23 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100000210303_100000047361 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100009816522_100000210303 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,0,0,0,0|2,0,1]=4 29 B15R2.352 CCNCc1cc2ccccc2cn1 207a_100015525214_100000059776 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.352 CCNCc1cc2ccccc2cn1 2230a_100015525214_100009869231 [1,0,0,0,0,0|2,0,1]=4 31 B15R2.352 CCNCc1cc2ccccc2cn1 270004a_100015525214_100000059776 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [1,0,0,0,0,0|2,0,1]=4 35 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [1,0,0,0,0,0|2,0,1]=4 36 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [1,0,0,0,0,0|2,0,1]=4 37 B15R2.352 CCOCc1cc2ccccc2cn1 34a_100121572206_100009869231 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [1,0,0,0,0,0|2,0,1]=4 40 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [1,0,0,0,0,0|2,0,1]=4 41 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100000210202_100009869231 [1,0,0,0,0,0|2,0,1]=4 42 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100009869231_100000210202 [1,0,0,0,0,0|2,0,1]=4 43 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [1,0,0,0,0,0|2,0,1]=4 44 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [1,0,0,0,0,0|2,0,1]=4 45 B15R2.886 CC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016259895_100000090176 [1,0,0,0,0,0|2,0,0]=3 46 B15R2.886 CC=Cc1cc(=O)n2ccccc2n1 271570a_100016259895_100000707704 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.886 CC=Cc1cc(c2ccccc2c1)N 271570a_100016259895_100010171453 [1,0,0,0,0,0|2,0,0]=3 48 B15R2.886 CC=Cc1cc(c2ccccc2c1)O 271570a_100016259895_100010089979 [1,0,0,0,0,0|1,0,1]=3 49 B15R2.886 CC=Cc1cc(c2ccccc2n1)C 271570a_100016259895_100012354972 [1,0,0,0,0,0|3,0,0]=4 50 B15R2.886 CC=Cc1cc(c2ccccc2n1)N 271570a_100016259895_100010197925 [1,0,0,0,0,0|3,0,0]=4 51 B15R2.886 CC=Cc1cc(c2cccnc2c1)N 271570a_100016259895_200010263263 [1,0,0,0,0,0|3,0,0]=4 52 B15R2.886 CC=Cc1cc(c2cnccc2c1)F 271570a_100016259895_100011068762 [1,0,0,0,0,0|3,0,0]=4 53 B15R2.886 CC=Cc1cc(c2ncccc2c1)C 271570a_100016259895_100010130319 [1,0,0,0,0,0|3,0,0]=4 54 B15R2.886 CC=Cc1cc(c2ncccc2c1)Cl 271570a_100016259895_200010369337 [1,0,0,0,0,0|3,0,0]=4 55 B15R2.886 CC=Cc1cc(c2ncccc2c1)F 271570a_100016259895_100010234705 [1,0,0,0,0,0|3,0,0]=4 56 B15R2.886 CC=Cc1cc(c2ncccc2c1)N 271570a_100016259895_100009814519 [1,0,0,0,0,0|3,0,0]=4 57 B15R2.886 CC=Cc1cc(c2ncccc2c1)O 271570a_100016259895_100010248853 [1,0,0,0,0,0|2,0,1]=4 58 B15R2.886 CC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016259895_200010000521 [1,0,0,0,0,0|2,0,1]=4 59 B15R2.886 CC=Cc1cc2ccccc2c(n1)N 271570a_100016259895_100009957331 [1,0,0,0,0,0|2,0,0]=3 60 B15R2.886 CC=Cc1nc(c2ccccc2n1)C 271570a_100016259895_100000046098 [1,0,0,0,0,0|3,0,0]=4 61 B15R2.886 CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210202 [1,0,0,0,0,0|3,0,0]=4 62 B15R2.886 CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210202 [1,0,0,0,0,0|3,0,0]=4 63 B15R2.886 CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210202 [1,0,0,0,0,0|3,0,0]=4 64 B15R2.886 CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210202 [1,0,0,0,0,0|3,0,0]=4 65 B15R2.886 CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210202_100000090176 [1,0,0,0,0,0|3,0,0]=4 66 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100000210202_100010171453 [1,0,0,0,0,0|3,0,0]=4 67 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210202 [1,0,0,0,0,0|3,0,0]=4 68 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [1,0,0,0,0,0|2,0,1]=4 69 B15R2.886 CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210202_200015811170 [1,0,0,0,0,0|2,0,0]=3 70 B15R2.886 CCSc1cc2ccccc2c(n1)N 62a_100000210202_100009957331 [1,0,0,0,0,0|3,0,0]=4 71 B15R2.886 CCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210202 [1,0,0,0,0,0|3,0,0]=4 72 B15R2.886 O=c1[nH]c(cc2c1cccc2)SCF 62a_100015361967_200015811170 [1,0,0,0,0,0|3,0,0]=4 73 B17R2.12072 C/C=C/CSc1cc2ccccc2c(=O)[nH]1 62a_100102629194_200015811170 [0,1,0,0,0,0|1,0,2]=4 74 B17R2.12072 CC=CCSc1cc2ccccc2c(=O)[nH]1 62a_100000070051_200015811170 [0,1,0,0,0,0|1,0,2]=4 75 B17R2.12072 CCCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016258520_100000090176 [0,1,0,0,0,0|2,0,0]=3 76 B17R2.12072 CCCC=Cc1cc(=O)n2ccccc2n1 271570a_100016258520_100000707704 [0,1,0,0,0,0|3,0,0]=4 77 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)N 271570a_100016258520_100010171453 [0,1,0,0,0,0|2,0,0]=3 78 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)O 271570a_100016258520_100010089979 [0,1,0,0,0,0|1,0,1]=3 79 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)C 271570a_100016258520_100012354972 [0,1,0,0,0,0|3,0,0]=4 80 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)N 271570a_100016258520_100010197925 [0,1,0,0,0,0|3,0,0]=4 81 B17R2.12072 CCCC=Cc1cc(c2cccnc2c1)N 271570a_100016258520_200010263263 [0,1,0,0,0,0|3,0,0]=4 82 B17R2.12072 CCCC=Cc1cc(c2cnccc2c1)F 271570a_100016258520_100011068762 [0,1,0,0,0,0|3,0,0]=4 83 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)C 271570a_100016258520_100010130319 [0,1,0,0,0,0|3,0,0]=4 84 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)Cl 271570a_100016258520_200010369337 [0,1,0,0,0,0|3,0,0]=4 85 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)F 271570a_100016258520_100010234705 [0,1,0,0,0,0|3,0,0]=4 86 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)N 271570a_100016258520_100009814519 [0,1,0,0,0,0|3,0,0]=4 87 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)O 271570a_100016258520_100010248853 [0,1,0,0,0,0|2,0,1]=4 88 B17R2.12072 CCCC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016258520_200010000521 [0,1,0,0,0,0|2,0,1]=4 89 B17R2.12072 CCCC=Cc1cc2ccccc2c(n1)N 271570a_100016258520_100009957331 [0,1,0,0,0,0|2,0,0]=3 90 B17R2.12072 CCCC=Cc1nc(c2ccccc2n1)C 271570a_100016258520_100000046098 [0,1,0,0,0,0|3,0,0]=4 91 B17R2.12072 CCCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210211_200015811170 [0,1,0,0,0,0|1,0,2]=4 92 B17R2.12072 CCOC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016256518_100000090176 [0,1,0,0,0,0|2,0,0]=3 93 B17R2.12072 CCOC=Cc1cc(=O)n2ccccc2n1 271570a_100016256518_100000707704 [0,1,0,0,0,0|3,0,0]=4 94 B17R2.12072 CCOC=Cc1cc(c2ccccc2c1)N 271570a_100016256518_100010171453 [0,1,0,0,0,0|2,0,0]=3 95 B17R2.12072 CCOC=Cc1cc(c2ccccc2c1)O 271570a_100016256518_100010089979 [0,1,0,0,0,0|1,0,1]=3 96 B17R2.12072 CCOC=Cc1cc(c2ccccc2n1)C 271570a_100016256518_100012354972 [0,1,0,0,0,0|3,0,0]=4 97 B17R2.12072 CCOC=Cc1cc(c2ccccc2n1)N 271570a_100016256518_100010197925 [0,1,0,0,0,0|3,0,0]=4 98 B17R2.12072 CCOC=Cc1cc(c2cccnc2c1)N 271570a_100016256518_200010263263 [0,1,0,0,0,0|3,0,0]=4 99 B17R2.12072 CCOC=Cc1cc(c2cnccc2c1)F 271570a_100016256518_100011068762 [0,1,0,0,0,0|3,0,0]=4 100 B17R2.12072 CCOC=Cc1cc(c2ncccc2c1)C 271570a_100016256518_100010130319 [0,1,0,0,0,0|3,0,0]=4 101 B17R2.12072 CCOC=Cc1cc(c2ncccc2c1)Cl 271570a_100016256518_200010369337 [0,1,0,0,0,0|3,0,0]=4 102 B17R2.12072 CCOC=Cc1cc(c2ncccc2c1)F 271570a_100016256518_100010234705 [0,1,0,0,0,0|3,0,0]=4 103 B17R2.12072 CCOC=Cc1cc(c2ncccc2c1)N 271570a_100016256518_100009814519 [0,1,0,0,0,0|3,0,0]=4 104 B17R2.12072 CCOC=Cc1cc(c2ncccc2c1)O 271570a_100016256518_100010248853 [0,1,0,0,0,0|2,0,1]=4 105 B17R2.12072 CCOC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016256518_200010000521 [0,1,0,0,0,0|2,0,1]=4 106 B17R2.12072 CCOC=Cc1cc2ccccc2c(n1)N 271570a_100016256518_100009957331 [0,1,0,0,0,0|2,0,0]=3 107 B17R2.12072 CCOC=Cc1nc(c2ccccc2n1)C 271570a_100016256518_100000046098 [0,1,0,0,0,0|3,0,0]=4 108 B17R2.12072 CCOCSc1cc2ccccc2c(=O)[nH]1 62a_100000739092_200015811170 [0,1,0,0,0,0|2,0,1]=4 109 B17R2.12072 COCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016286323_100000090176 [0,1,0,0,0,0|2,0,0]=3 110 B17R2.12072 COCC=Cc1cc(=O)n2ccccc2n1 271570a_100016286323_100000707704 [0,1,0,0,0,0|3,0,0]=4 111 B17R2.12072 COCC=Cc1cc(c2ccccc2c1)N 271570a_100016286323_100010171453 [0,1,0,0,0,0|2,0,0]=3 112 B17R2.12072 COCC=Cc1cc(c2ccccc2c1)O 271570a_100016286323_100010089979 [0,1,0,0,0,0|1,0,1]=3 113 B17R2.12072 COCC=Cc1cc(c2ccccc2n1)C 271570a_100016286323_100012354972 [0,1,0,0,0,0|3,0,0]=4 114 B17R2.12072 COCC=Cc1cc(c2ccccc2n1)N 271570a_100016286323_100010197925 [0,1,0,0,0,0|3,0,0]=4 115 B17R2.12072 COCC=Cc1cc(c2cccnc2c1)N 271570a_100016286323_200010263263 [0,1,0,0,0,0|3,0,0]=4 116 B17R2.12072 COCC=Cc1cc(c2cnccc2c1)F 271570a_100016286323_100011068762 [0,1,0,0,0,0|3,0,0]=4 117 B17R2.12072 COCC=Cc1cc(c2ncccc2c1)C 271570a_100016286323_100010130319 [0,1,0,0,0,0|3,0,0]=4 118 B17R2.12072 COCC=Cc1cc(c2ncccc2c1)Cl 271570a_100016286323_200010369337 [0,1,0,0,0,0|3,0,0]=4 119 B17R2.12072 COCC=Cc1cc(c2ncccc2c1)F 271570a_100016286323_100010234705 [0,1,0,0,0,0|3,0,0]=4 120 B17R2.12072 COCC=Cc1cc(c2ncccc2c1)N 271570a_100016286323_100009814519 [0,1,0,0,0,0|3,0,0]=4 121 B17R2.12072 COCC=Cc1cc(c2ncccc2c1)O 271570a_100016286323_100010248853 [0,1,0,0,0,0|2,0,1]=4 122 B17R2.12072 COCC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016286323_200010000521 [0,1,0,0,0,0|2,0,1]=4 123 B17R2.12072 COCC=Cc1cc2ccccc2c(n1)N 271570a_100016286323_100009957331 [0,1,0,0,0,0|2,0,0]=3 124 B17R2.12072 COCC=Cc1nc(c2ccccc2n1)C 271570a_100016286323_100000046098 [0,1,0,0,0,0|3,0,0]=4 125 B17R2.12072 COCCSc1cc2ccccc2c(=O)[nH]1 62a_100000233755_200015811170 [0,1,0,0,0,0|2,0,1]=4 126 B17R2.12072 CSCCSc1cc2ccccc2c(=O)[nH]1 62a_100000212216_200015811170 [0,1,0,0,0,0|2,0,1]=4 127 B17R2.12072 O=c1[nH]c(cc2c1cccc2)SCCCF 62a_100011934791_200015811170 [0,1,0,0,0,0|2,0,1]=4 128 B17R2.12072 O=c1[nH]c(cc2c1cccc2)SCCCO 62a_100011215043_200015811170 [0,1,0,0,0,0|2,0,1]=4 129 B17R2.40403 CC(C)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016257149_100000090176 [0,1,0,0,0,0|2,0,0]=3 130 B17R2.40403 CC(C)C=Cc1cc(=O)n2ccccc2n1 271570a_100016257149_100000707704 [0,1,0,0,0,0|3,0,0]=4 131 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2c1)N 271570a_100016257149_100010171453 [0,1,0,0,0,0|2,0,0]=3 132 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2c1)O 271570a_100016257149_100010089979 [0,1,0,0,0,0|1,0,1]=3 133 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2n1)N 271570a_100016257149_100010197925 [0,1,0,0,0,0|3,0,0]=4 134 B17R2.40403 CC(C)C=Cc1cc(c2cccnc2c1)N 271570a_100016257149_200010263263 [0,1,0,0,0,0|3,0,0]=4 135 B17R2.40403 CC(C)C=Cc1cc(c2cnccc2c1)F 271570a_100016257149_100011068762 [0,1,0,0,0,0|3,0,0]=4 136 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)Cl 271570a_100016257149_200010369337 [0,1,0,0,0,0|3,0,0]=4 137 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)F 271570a_100016257149_100010234705 [0,1,0,0,0,0|3,0,0]=4 138 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)N 271570a_100016257149_100009814519 [0,1,0,0,0,0|3,0,0]=4 139 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)O 271570a_100016257149_100010248853 [0,1,0,0,0,0|2,0,1]=4 140 B17R2.40403 CC(C)C=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016257149_200010000521 [0,1,0,0,0,0|2,0,1]=4 141 B17R2.40403 CC(C)C=Cc1cc2ccccc2c(n1)N 271570a_100016257149_100009957331 [0,1,0,0,0,0|2,0,0]=3 142 B17R2.40403 CC(C)CSc1cc2ccccc2c(=O)[nH]1 62a_100000210624_200015811170 [0,1,0,0,0,0|2,0,1]=4 143 B17R2.40403 CC(O)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_200011019289_100000090176 [0,1,0,0,0,0|2,0,0]=3 144 B17R2.40403 CC(O)C=Cc1cc(=O)n2ccccc2n1 271570a_200011019289_100000707704 [0,1,0,0,0,0|3,0,0]=4 145 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2c1)N 271570a_200011019289_100010171453 [0,1,0,0,0,0|2,0,0]=3 146 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2c1)O 271570a_200011019289_100010089979 [0,1,0,0,0,0|1,0,1]=3 147 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2n1)N 271570a_200011019289_100010197925 [0,1,0,0,0,0|3,0,0]=4 148 B17R2.40403 CC(O)C=Cc1cc(c2cccnc2c1)N 271570a_200011019289_200010263263 [0,1,0,0,0,0|3,0,0]=4 149 B17R2.40403 CC(O)C=Cc1cc(c2cnccc2c1)F 271570a_200011019289_100011068762 [0,1,0,0,0,0|3,0,0]=4 150 B17R2.40403 CC(O)C=Cc1cc(c2ncccc2c1)Cl 271570a_200011019289_200010369337 [0,1,0,0,0,0|3,0,0]=4 151 B17R2.40403 CC(O)C=Cc1cc(c2ncccc2c1)F 271570a_200011019289_100010234705 [0,1,0,0,0,0|3,0,0]=4 152 B17R2.40403 CC(O)C=Cc1cc(c2ncccc2c1)N 271570a_200011019289_100009814519 [0,1,0,0,0,0|3,0,0]=4 153 B17R2.40403 CC(O)C=Cc1cc(c2ncccc2c1)O 271570a_200011019289_100010248853 [0,1,0,0,0,0|2,0,1]=4 154 B17R2.40403 CC(O)C=Cc1cc2ccccc2[n+](c1)[O-] 271570a_200011019289_200010000521 [0,1,0,0,0,0|2,0,1]=4 155 B17R2.40403 CC(O)C=Cc1cc2ccccc2c(n1)N 271570a_200011019289_100009957331 [0,1,0,0,0,0|2,0,0]=3 156 B17R2.40403 CC(O)CSc1cc2ccccc2c(=O)[nH]1 62a_100011218427_200015811170 [0,1,0,0,0,0|2,0,1]=4 157 B17R2.40403 C[C@@H](O)CSc1cc2ccccc2c(=O)[nH]1 62a_100009817552_200015811170 [0,1,0,0,0,0|2,0,1]=4 158 B17R2.40403 Cc1cc(cc2c1nccc2)C=CC(C)C 271570a_100016257149_100010130319 [0,1,0,0,0,0|3,0,0]=4 159 B17R2.40403 Cc1cc(cc2c1nccc2)C=CC(C)O 271570a_200011019289_100010130319 [0,1,0,0,0,0|3,0,0]=4 160 B17R2.40403 Cc1cc(nc2c1cccc2)C=CC(C)C 271570a_100016257149_100012354972 [0,1,0,0,0,0|3,0,0]=4 161 B17R2.40403 Cc1cc(nc2c1cccc2)C=CC(C)O 271570a_200011019289_100012354972 [0,1,0,0,0,0|3,0,0]=4 162 B17R2.40403 Cc1nc(nc2c1cccc2)C=CC(C)C 271570a_100016257149_100000046098 [0,1,0,0,0,0|3,0,0]=4 163 B17R2.40403 Cc1nc(nc2c1cccc2)C=CC(C)O 271570a_200011019289_100000046098 [0,1,0,0,0,0|3,0,0]=4 164 B17R2.57534 CCC(=O)Cc1nc2ccccc2c(=O)[nH]1 1458a_100000210414_100000182789 [0,1,0,0,0,0|2,0,1]=4 165 B17R2.57534 CCC(=O)Nc1cc(c2ccccc2c1)Br 11a_100010089974_100000210414 [0,1,0,0,0,0|3,0,0]=4 166 B17R2.57534 CCC(=O)Nc1cc(c2ccccc2c1)Br 1626a_100010089974_100000210414 [0,1,0,0,0,0|3,0,0]=4 167 B17R2.57534 CCC(=O)Nc1cc(c2ccccc2c1)Br 22a_100010089974_100000210414 [0,1,0,0,0,0|3,0,0]=4 168 B17R2.57534 CCC(=O)Nc1cc(c2ccccc2c1)Br 527a_100010089974_100000210414 [0,1,0,0,0,0|3,0,0]=4 169 B17R2.57534 CCC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000758301_200015811170 [0,1,0,0,0,0|2,0,1]=4 170 B15R1.115 CCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212282_100000211460 [0,0,1,0,0,0|2,0,0]=3 171 B15R1.115 CCC=CC(=O)CC(=O)c1ccccn1 1458a_100000212282_100000027445 [0,0,1,0,0,0|3,0,0]=4 172 B15R1.115 CCC=CC(=O)CC(=O)c1cccnc1 1458a_100000212282_100015188593 [0,0,1,0,0,0|3,0,0]=4 173 B15R1.115 CCC=CC(=O)CC(=O)c1ccncc1 1458a_100000212282_100000027454 [0,0,1,0,0,0|3,0,0]=4 174 B15R1.115 COC=CC(=O)CC(=O)c1ccccc1 1458a_100016268678_100000211460 [0,0,1,0,0,0|3,0,0]=4 175 B15R1.241 CC/C=C\CNc1ccccc1C(=O)N 34a_100000185089_100103147603 [0,0,1,0,0,0|2,0,1]=4 176 B15R1.241 CC/C=C\COc1ccccc1C(=O)N 34a_100000192804_100103147603 [0,0,1,0,0,0|2,0,1]=4 177 B15R1.241 CC/C=C\COc1ccccc1C(=O)N 7a_100000192804_100103147603 [0,0,1,0,0,0|2,0,1]=4 178 B15R1.241 CC/C=C\COc1ccccc1C(=O)[O-] 7a_100015234032_100103147603 [0,0,1,0,0,0|1,0,2]=4 179 B15R1.241 CC/C=C\CSc1ccccc1C(=O)C 62a_100000751169_100103147603 [0,0,1,0,0,0|2,0,1]=4 180 B15R1.241 CC/C=C\CSc1ccccc1C(=O)N 62a_100000162227_100103147603 [0,0,1,0,0,0|2,0,1]=4 181 B15R1.241 CC/C=C\CSc1ccccc1C(=O)N 62a_100103147603_100000162227 [0,0,1,0,0,0|2,0,1]=4 182 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_100103147603_100000734275 [0,0,1,0,0,0|1,0,1]=3 183 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_202125556159_100103147603 [0,0,1,0,0,0|1,0,1]=3 184 B15R1.241 CCCCC=Cc1ccccc1C(=O)C 271570a_100016275911_100000751169 [0,0,1,0,0,0|1,0,2]=4 185 B15R1.241 CCCCC=Cc1ccccc1C(=O)N 271570a_100016275911_100000162227 [0,0,1,0,0,0|1,0,2]=4 186 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1Br 1458a_100000188424_100015370543 [0,0,1,0,0,0|2,0,1]=4 187 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1C 1458a_100000212026_100015370543 [0,0,1,0,0,0|1,0,2]=4 188 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1Cl 1458a_100000185844_100015370543 [0,0,1,0,0,0|2,0,1]=4 189 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1F 1458a_100000188656_100015370543 [0,0,1,0,0,0|2,0,1]=4 190 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1I 1458a_100000187884_100015370543 [0,0,1,0,0,0|2,0,1]=4 191 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1O 1458a_100015234032_100015370543 [0,0,1,0,0,0|2,0,1]=4 192 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1[O-] 1458a_100009911694_100015370543 [0,0,1,0,0,0|2,0,1]=4 193 B15R1.5925 C=Cc1ccccc1NC(=O)C=CCC 11a_100012022501_100000212282 [0,0,1,0,0,0|2,0,1]=4 194 B15R1.5925 C=Cc1ccccc1NC(=O)C=CCC 1626a_100012022501_100000212282 [0,0,1,0,0,0|2,0,1]=4 195 B15R1.5925 C=Cc1ccccc1NC(=O)C=CCC 22a_100012022501_100000212282 [0,0,1,0,0,0|2,0,1]=4 196 B15R1.5925 CCC=CC(=O)Cc1ccccc1C=O 1458a_100000212282_200009853537 [0,0,1,0,0,0|0,0,2]=3 197 B15R1.5925 CCCCC(=Cc1ccccc1C=O)Br 271570a_206741709834_100000211189 [0,0,1,0,0,0|1,0,2]=4 198 B15R1.5925 COC=CC(=O)Cc1ccccc1C=O 1458a_100016268678_200009853537 [0,0,1,0,0,0|1,0,2]=4 199 B15R2.1428 CCCSC1OC(=O)c2c1cccc2 62a_100000210303_100009813457 [0,0,0,0,1,0|1,0,2]=4 200 B14R1.29 CC=CC(=O)CC(=O)c1ccccc1 1458a_100000210699_100000211460 [1,0,1,0,0,0|2,0,0]=4 201 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [1,0,1,0,0,0|1,0,1]=4 202 B14R1.476 CC/C=C\CSc1ccccc1C=O 62a_100000210073_100103147603 [1,0,1,0,0,0|1,0,1]=4 203 B14R1.476 CC/C=C\CSc1ccccc1C=O 62a_100103147603_100000210073 [1,0,1,0,0,0|1,0,1]=4 204 B14R1.476 CCCCC=Cc1ccccc1C=O 271570a_100016275911_100000211189 [1,0,1,0,0,0|0,0,2]=4 205 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_100102629194_100000734275 [1,0,1,0,0,0|1,0,1]=4 206 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_202125556159_100102629194 [1,0,1,0,0,0|1,0,1]=4 207 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_100000070051_100000734275 [1,0,1,0,0,0|1,0,1]=4 208 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_202125556159_100000070051 [1,0,1,0,0,0|1,0,1]=4 209 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [1,0,1,0,0,0|1,0,1]=4 210 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [1,0,1,0,0,0|1,0,1]=4 211 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [1,0,1,0,0,0|2,0,0]=4 212 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [1,0,1,0,0,0|2,0,0]=4 213 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Br 1458a_100000188424_100103147603 [1,0,1,0,0,0|1,0,1]=4 214 B14R1.1035 CC/C=C\CC(=O)c1ccccc1C 1458a_100000212026_100103147603 [1,0,1,0,0,0|0,0,2]=4 215 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Cl 1458a_100000185844_100103147603 [1,0,1,0,0,0|1,0,1]=4 216 B14R1.1035 CC/C=C\CC(=O)c1ccccc1F 1458a_100000188656_100103147603 [1,0,1,0,0,0|1,0,1]=4 217 B14R1.1035 CC/C=C\CC(=O)c1ccccc1I 1458a_100000187884_100103147603 [1,0,1,0,0,0|1,0,1]=4 218 B14R1.1035 CC/C=C\CC(=O)c1ccccc1O 1458a_100015234032_100103147603 [1,0,1,0,0,0|1,0,1]=4 219 B14R1.1035 CC/C=C\CC(=O)c1ccccc1[O-] 1458a_100009911694_100103147603 [1,0,1,0,0,0|1,0,1]=4 220 B14R1.965 CC=CC(=O)Cc1ccccc1C=O 1458a_100000210699_200009853537 [1,0,1,0,0,0|0,0,2]=4 221 B14R2.112 CC=Cc1cc2ccccc2cn1 271570a_100016259895_100000047361 [2,0,0,0,0,0|1,0,0]=3 222 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [2,0,0,0,0,0|1,0,0]=3 223 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [2,0,0,0,0,0|2,0,0]=4 224 B14R2.112 CC=Cc1ccc2cccnc2c1 271570a_100016259895_100009816655 [2,0,0,0,0,0|2,0,0]=4 225 B14R2.112 CC=Cc1ccc2ccncc2c1 271570a_100016259895_100000686496 [2,0,0,0,0,0|2,0,0]=4 226 B14R2.112 CC=Cc1ccc2cnccc2c1 271570a_100016259895_100009816743 [2,0,0,0,0,0|2,0,0]=4 227 B14R2.112 CC=Cc1ccc2ncccc2c1 271570a_100016259895_100000754243 [2,0,0,0,0,0|2,0,0]=4 228 B14R2.112 CC=Cc1cnc2ccccc2c1 271570a_100016259895_100000737414 [2,0,0,0,0,0|2,0,0]=4 229 B14R2.112 CC=Cc1ncc2ccccc2n1 271570a_100016259895_100000097389 [2,0,0,0,0,0|2,0,0]=4 230 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [2,0,0,0,0,0|2,0,0]=4 231 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [2,0,0,0,0,0|2,0,0]=4 232 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [2,0,0,0,0,0|2,0,0]=4 233 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [2,0,0,0,0,0|2,0,0]=4 234 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [2,0,0,0,0,0|2,0,0]=4 235 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [2,0,0,0,0,0|2,0,0]=4 236 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [2,0,0,0,0,0|2,0,0]=4 237 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [2,0,0,0,0,0|2,0,0]=4 238 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [2,0,0,0,0,0|2,0,0]=4 239 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [2,0,0,0,0,0|1,0,1]=4 240 B14R2.1019 C=Cc1cc2ccccc2c(n1)N 271570a_100011290941_100009957331 [2,0,0,0,0,0|2,0,0]=4 241 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [2,0,0,0,0,0|2,0,0]=4 242 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [2,0,0,0,0,0|2,0,0]=4 243 B16R1.35 CC/C=C/CC(=O)CC(=O)c1ccccc1 1458a_100016274230_100000211460 [0,1,1,0,0,0|2,0,0]=4 244 B16R1.35 CCCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212230_100000211460 [0,1,1,0,0,0|2,0,0]=4 245 B16R1.35 CCOC=CC(=O)CC(=O)c1ccccc1 1458a_100016266692_100000211460 [0,1,1,0,0,0|2,0,0]=4 246 B16R1.35 COCC=CC(=O)CC(=O)c1ccccc1 1458a_100016285016_100000211460 [0,1,1,0,0,0|2,0,0]=4 247 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000212282_100000188085 [0,1,1,0,0,0|2,0,0]=4 248 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000212282_100000211441 [0,1,1,0,0,0|2,0,0]=4 249 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000212282_100000211071 [0,1,1,0,0,0|2,0,0]=4 250 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000212282_100000211279 [0,1,1,0,0,0|2,0,0]=4 251 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000212282_100011216261 [0,1,1,0,0,0|2,0,0]=4 252 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212282_100009814261 [0,1,1,0,0,0|2,0,0]=4 253 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000212282_100000212080 [0,1,1,0,0,0|2,0,0]=4 254 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)C 1458a_100000212282_100000739480 [0,1,1,0,0,0|2,0,0]=4 255 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000212282_100000211444 [0,1,1,0,0,0|2,0,0]=4 256 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)F 1458a_100000212282_100000215616 [0,1,1,0,0,0|2,0,0]=4 257 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)O 1458a_100000212282_100009813753 [0,1,1,0,0,0|2,0,0]=4 258 B16R1.847 CCC(=CC(=O)CC(=O)c1ccccc1)C 1458a_100020758463_100000211460 [0,1,1,0,0,0|2,0,0]=4 259 B16R1.912 CC/C=C(\C)/C(=O)CC(=O)c1ccccc1 1458a_100016988807_100000211460 [0,1,1,0,0,0|2,0,0]=4 260 B16R1.1244 CCC=CC(=O)C(C)C(=O)c1ccccc1 1458a_100000212282_100000239700 [0,1,1,0,0,0|2,0,0]=4 261 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1Br 1458a_100000212282_100000199116 [0,1,1,0,0,0|2,0,0]=4 262 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1C 1458a_100000212282_100000741374 [0,1,1,0,0,0|2,0,0]=4 263 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1Cl 1458a_100000212282_100000211432 [0,1,1,0,0,0|2,0,0]=4 264 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1F 1458a_100000212282_100000204681 [0,1,1,0,0,0|2,0,0]=4 265 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1O 1458a_100000212282_100000188908 [0,1,1,0,0,0|2,0,0]=4 266 B16R1.7611 CC(C)C=CC(=O)CC(=O)c1ccccc1 1458a_100016268746_100000211460 [0,1,1,0,0,0|2,0,0]=4 267 B16R1.273 CC/C=C\COc1ccccc1C(=O)NO 34a_100000188472_100103147603 [0,1,1,0,0,0|1,0,1]=4 268 B16R1.273 CC/C=C\COc1ccccc1C(=O)OC 7a_100000150335_100103147603 [0,1,1,0,0,0|1,0,1]=4 269 B16R1.273 CC/C=C\CSc1ccccc1C(=O)OC 62a_100000148710_100103147603 [0,1,1,0,0,0|1,0,1]=4 270 B16R1.273 CC/C=C\CSc1ccccc1C(=O)OC 62a_100103147603_100000148710 [0,1,1,0,0,0|1,0,1]=4 271 B16R1.273 CC/C=C\CSc1ccccc1C(=O)O[Na] 62a_100103147603_114855342371 [0,1,1,0,0,0|1,0,1]=4 272 B16R1.273 CCCCC=Cc1ccccc1C(=O)OC 271570a_100016275911_100000148710 [0,1,1,0,0,0|0,0,2]=4 273 B16R1.1225 CC/C=C\CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100103147603 [0,1,1,0,0,0|1,0,1]=4 274 B16R1.3900 CC/C=C\CCSc1ccccc1C(=O)O 62a_100015370543_100000734275 [0,1,1,0,0,0|0,0,2]=4 275 B16R1.3900 CC/C=C\CCSc1ccccc1C(=O)O 62a_202125556159_100015370543 [0,1,1,0,0,0|0,0,2]=4 276 B16R1.3900 CC/C=C\CNCc1ccccc1C(=O)O 269956a_100015183376_100103147603 [0,1,1,0,0,0|0,0,2]=4 277 B16R1.4440 CCOC(=O)C=Cc1ccccc1C(=O)C 271570a_100010199719_100000751169 [0,1,1,0,0,0|2,0,0]=4 278 B16R1.4440 CCOC(=O)C=Cc1ccccc1C(=O)N 271570a_100010199719_100000162227 [0,1,1,0,0,0|2,0,0]=4 279 B16R1.4493 CCC=CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000212282 [0,1,1,0,0,0|2,0,0]=4 280 B16R1.4493 CCC=CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000212282 [0,1,1,0,0,0|2,0,0]=4 281 B16R1.4493 CCC=CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000212282 [0,1,1,0,0,0|2,0,0]=4 282 B16R1.4614 C=Cc1ccccc1C(=O)CC/C=C\CC 1458a_100011830265_100015370543 [0,1,1,0,0,0|1,0,1]=4 283 B16R1.7596 CC/C=C\COCC(=O)c1ccccc1Br 34a_100016268518_100000199116 [0,1,1,0,0,0|1,0,1]=4 284 B16R1.7596 CC/C=C\COCC(=O)c1ccccc1C 34a_100016268518_100000741374 [0,1,1,0,0,0|0,0,2]=4 285 B16R1.7596 CC/C=C\COCC(=O)c1ccccc1Cl 34a_100016268518_100000211432 [0,1,1,0,0,0|1,0,1]=4 286 B16R1.7596 CC/C=C\COCC(=O)c1ccccc1F 34a_100016268518_100000204681 [0,1,1,0,0,0|1,0,1]=4 287 B16R1.7596 CCC=CC=NNC(=O)c1ccccc1Br 4a_100000183644_100011216943 [0,1,1,0,0,0|2,0,0]=4 288 B16R1.7596 CCC=CC=NNC(=O)c1ccccc1C 4a_100000181371_100011216943 [0,1,1,0,0,0|1,0,1]=4 289 B16R1.7596 CCC=CC=NNC(=O)c1ccccc1Cl 4a_100000186534_100011216943 [0,1,1,0,0,0|2,0,0]=4 290 B16R1.7596 CCC=CC=NNC(=O)c1ccccc1F 4a_100000183521_100011216943 [0,1,1,0,0,0|2,0,0]=4 291 B16R1.7596 CCC=CC=NNC(=O)c1ccccc1I 4a_100000190081_100011216943 [0,1,1,0,0,0|2,0,0]=4 292 B16R1.1369 CC(C)C=CC(=O)Cc1ccccc1C=O 1458a_100016268746_200009853537 [0,1,1,0,0,0|0,0,2]=4 293 B16R1.4474 CCC=CC(=O)Cc1cc(ccc1C=O)F 1458a_100000212282_100010132768 [0,1,1,0,0,0|0,0,2]=4 294 B16R1.4968 CC/C=C(\C)/C(=O)Cc1ccccc1C=O 1458a_100016988807_200009853537 [0,1,1,0,0,0|0,0,2]=4 295 B16R1.5594 CCC(=CC(=O)Cc1ccccc1C=O)C 1458a_100020758463_200009853537 [0,1,1,0,0,0|0,0,2]=4 296 B16R1.7391 CC/C=C/CC(=O)Cc1ccccc1C=O 1458a_100016274230_200009853537 [0,1,1,0,0,0|0,0,2]=4 297 B16R1.7391 CCCC=CC(=O)Cc1ccccc1C=O 1458a_100000212230_200009853537 [0,1,1,0,0,0|0,0,2]=4 298 B16R1.7391 CCOC=CC(=O)Cc1ccccc1C=O 1458a_100016266692_200009853537 [0,1,1,0,0,0|0,0,2]=4 299 B16R1.7391 COCC=CC(=O)Cc1ccccc1C=O 1458a_100016285016_200009853537 [0,1,1,0,0,0|0,0,2]=4 300 B16R1.7634 CCC=CC(=O)Cc1ccc(cc1C=O)F 1458a_100000212282_100010132769 [0,1,1,0,0,0|0,0,2]=4 301 B16R1.91108 CCC=CC(=O)Cc1c(cccc1C=O)F 1458a_100000212282_100010132767 [0,1,1,0,0,0|0,0,2]=4 302 B16R2.477 CC(C)C=Cc1cc2ccccc2cn1 271570a_100016257149_100000047361 [1,1,0,0,0,0|1,0,0]=3 303 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [1,1,0,0,0,0|1,0,0]=3 304 B16R2.477 CC(C)C=Cc1ccc2ccccc2n1 271570a_100016257149_100011291633 [1,1,0,0,0,0|2,0,0]=4 305 B16R2.477 CC(C)C=Cc1ccc2cccnc2c1 271570a_100016257149_100009816655 [1,1,0,0,0,0|2,0,0]=4 306 B16R2.477 CC(C)C=Cc1ccc2ccncc2c1 271570a_100016257149_100000686496 [1,1,0,0,0,0|2,0,0]=4 307 B16R2.477 CC(C)C=Cc1ccc2cnccc2c1 271570a_100016257149_100009816743 [1,1,0,0,0,0|2,0,0]=4 308 B16R2.477 CC(C)C=Cc1ccc2ncccc2c1 271570a_100016257149_100000754243 [1,1,0,0,0,0|2,0,0]=4 309 B16R2.477 CC(C)C=Cc1cnc2ccccc2c1 271570a_100016257149_100000737414 [1,1,0,0,0,0|2,0,0]=4 310 B16R2.477 CC(C)C=Cc1ncc2ccccc2n1 271570a_100016257149_100000097389 [1,1,0,0,0,0|2,0,0]=4 311 B16R2.477 CC(O)C=Cc1cc2ccccc2cn1 271570a_200011019289_100000047361 [1,1,0,0,0,0|1,0,0]=3 312 B16R2.477 CC(O)C=Cc1ccc2ccccc2c1 271570a_200011019289_100000233703 [1,1,0,0,0,0|1,0,0]=3 313 B16R2.477 CC(O)C=Cc1ccc2ccccc2n1 271570a_200011019289_100011291633 [1,1,0,0,0,0|2,0,0]=4 314 B16R2.477 CC(O)C=Cc1ccc2cccnc2c1 271570a_200011019289_100009816655 [1,1,0,0,0,0|2,0,0]=4 315 B16R2.477 CC(O)C=Cc1ccc2ccncc2c1 271570a_200011019289_100000686496 [1,1,0,0,0,0|2,0,0]=4 316 B16R2.477 CC(O)C=Cc1ccc2cnccc2c1 271570a_200011019289_100009816743 [1,1,0,0,0,0|2,0,0]=4 317 B16R2.477 CC(O)C=Cc1ccc2ncccc2c1 271570a_200011019289_100000754243 [1,1,0,0,0,0|2,0,0]=4 318 B16R2.477 CC(O)C=Cc1cnc2ccccc2c1 271570a_200011019289_100000737414 [1,1,0,0,0,0|2,0,0]=4 319 B16R2.477 CC(O)C=Cc1ncc2ccccc2n1 271570a_200011019289_100000097389 [1,1,0,0,0,0|2,0,0]=4 320 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210303 [1,1,0,0,0,0|1,0,1]=4 321 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 11a_100015525214_100000210637 [1,1,0,0,0,0|2,0,0]=4 322 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 240690a_100015525214_100000210637 [1,1,0,0,0,0|2,0,0]=4 323 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 527a_100015525214_100000210637 [1,1,0,0,0,0|2,0,0]=4 324 B16R2.2441 CCC=NNc1ccc2ccccc2c1 4a_100016987534_100000210100 [1,1,0,0,0,0|2,0,0]=4 325 B16R2.2441 CCCC=Cc1cc2ccccc2cn1 271570a_100016258520_100000047361 [1,1,0,0,0,0|1,0,0]=3 326 B16R2.2441 CCCC=Cc1ccc2ccccc2c1 271570a_100016258520_100000233703 [1,1,0,0,0,0|1,0,0]=3 327 B16R2.2441 CCCC=Cc1ccc2ccccc2n1 271570a_100016258520_100011291633 [1,1,0,0,0,0|2,0,0]=4 328 B16R2.2441 CCCC=Cc1ccc2cccnc2c1 271570a_100016258520_100009816655 [1,1,0,0,0,0|2,0,0]=4 329 B16R2.2441 CCCC=Cc1ccc2ccncc2c1 271570a_100016258520_100000686496 [1,1,0,0,0,0|2,0,0]=4 330 B16R2.2441 CCCC=Cc1ccc2cnccc2c1 271570a_100016258520_100009816743 [1,1,0,0,0,0|2,0,0]=4 331 B16R2.2441 CCCC=Cc1ccc2ncccc2c1 271570a_100016258520_100000754243 [1,1,0,0,0,0|2,0,0]=4 332 B16R2.2441 CCCC=Cc1cnc2ccccc2c1 271570a_100016258520_100000737414 [1,1,0,0,0,0|2,0,0]=4 333 B16R2.2441 CCCC=Cc1ncc2ccccc2n1 271570a_100016258520_100000097389 [1,1,0,0,0,0|2,0,0]=4 334 B16R2.2441 CCNN=Cc1cc2ccccc2cn1 4a_100000756455_100000059776 [1,1,0,0,0,0|2,0,0]=4 335 B16R2.2441 CCNN=Cc1ccc2ccccc2c1 4a_100000756455_100000211584 [1,1,0,0,0,0|2,0,0]=4 336 B16R2.2441 CCOC=Cc1cc2ccccc2cn1 271570a_100016256518_100000047361 [1,1,0,0,0,0|1,0,0]=3 337 B16R2.2441 CCOC=Cc1ccc2ccccc2c1 271570a_100016256518_100000233703 [1,1,0,0,0,0|1,0,0]=3 338 B16R2.2441 CCOC=Cc1ccc2ccccc2n1 271570a_100016256518_100011291633 [1,1,0,0,0,0|2,0,0]=4 339 B16R2.2441 CCOC=Cc1ccc2cccnc2c1 271570a_100016256518_100009816655 [1,1,0,0,0,0|2,0,0]=4 340 B16R2.2441 CCOC=Cc1ccc2ccncc2c1 271570a_100016256518_100000686496 [1,1,0,0,0,0|2,0,0]=4 341 B16R2.2441 CCOC=Cc1ccc2cnccc2c1 271570a_100016256518_100009816743 [1,1,0,0,0,0|2,0,0]=4 342 B16R2.2441 CCOC=Cc1ccc2ncccc2c1 271570a_100016256518_100000754243 [1,1,0,0,0,0|2,0,0]=4 343 B16R2.2441 CCOC=Cc1cnc2ccccc2c1 271570a_100016256518_100000737414 [1,1,0,0,0,0|2,0,0]=4 344 B16R2.2441 CCOC=Cc1ncc2ccccc2n1 271570a_100016256518_100000097389 [1,1,0,0,0,0|2,0,0]=4 345 B16R2.2441 COCC=Cc1cc2ccccc2cn1 271570a_100016286323_100000047361 [1,1,0,0,0,0|1,0,0]=3 346 B16R2.2441 COCC=Cc1ccc2ccccc2c1 271570a_100016286323_100000233703 [1,1,0,0,0,0|1,0,0]=3 347 B16R2.2441 COCC=Cc1ccc2ccccc2n1 271570a_100016286323_100011291633 [1,1,0,0,0,0|2,0,0]=4 348 B16R2.2441 COCC=Cc1ccc2cccnc2c1 271570a_100016286323_100009816655 [1,1,0,0,0,0|2,0,0]=4 349 B16R2.2441 COCC=Cc1ccc2ccncc2c1 271570a_100016286323_100000686496 [1,1,0,0,0,0|2,0,0]=4 350 B16R2.2441 COCC=Cc1ccc2cnccc2c1 271570a_100016286323_100009816743 [1,1,0,0,0,0|2,0,0]=4 351 B16R2.2441 COCC=Cc1ccc2ncccc2c1 271570a_100016286323_100000754243 [1,1,0,0,0,0|2,0,0]=4 352 B16R2.2441 COCC=Cc1cnc2ccccc2c1 271570a_100016286323_100000737414 [1,1,0,0,0,0|2,0,0]=4 353 B16R2.2441 COCC=Cc1ncc2ccccc2n1 271570a_100016286323_100000097389 [1,1,0,0,0,0|2,0,0]=4 354 B16R2.5347 CCC(=O)Cc1cc2ccccc2cn1 1458a_100000210414_100009869231 [1,1,0,0,0,0|1,0,1]=4 355 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [1,1,0,0,0,0|1,0,1]=4 356 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [1,1,0,0,0,0|1,0,1]=4 357 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [1,1,0,0,0,0|2,0,0]=4 358 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [1,1,0,0,0,0|2,0,0]=4 359 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [1,1,0,0,0,0|2,0,0]=4 360 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [1,1,0,0,0,0|2,0,0]=4 361 B16R2.21680 CC=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016259895_100010201084 [1,1,0,0,0,0|2,0,0]=4 362 B16R2.21738 CC=Cc1nc2ccccc2c(=O)n1C 271570a_100016259895_200000215938 [1,1,0,0,0,0|2,0,0]=4 363 B16R2.24933 CC(=Cc1cc(=O)c2ccccc2[nH]1)C 271570a_100102525489_100000090176 [1,1,0,0,0,0|2,0,0]=4 364 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)N)C 271570a_100102525489_100010171453 [1,1,0,0,0,0|2,0,0]=4 365 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)O)C 271570a_100102525489_100010089979 [1,1,0,0,0,0|1,0,1]=4 366 B16R2.24933 CC(=Cc1cc2ccccc2c(n1)N)C 271570a_100102525489_100009957331 [1,1,0,0,0,0|2,0,0]=4 367 B16R2.24933 CC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000210206_200015811170 [1,1,0,0,0,0|2,0,0]=4 368 B16R2.2272 CCCC=Cc1sc2ccccc2c1C 271570a_100016258520_200010198769 [0,1,0,0,1,0|2,0,0]=4 369 B16R2.2272 CCOC=Cc1sc2ccccc2c1C 271570a_100016256518_200010198769 [0,1,0,0,1,0|2,0,0]=4 370 B16R2.2272 COCC=Cc1sc2ccccc2c1C 271570a_100016286323_200010198769 [0,1,0,0,1,0|2,0,0]=4 371 B16R2.3356 Cc1c(sc2c1cccc2)C=CC(C)C 271570a_100016257149_200010198769 [0,1,0,0,1,0|2,0,0]=4 372 B16R2.3356 Cc1c(sc2c1cccc2)C=CC(C)O 271570a_200011019289_200010198769 [0,1,0,0,1,0|2,0,0]=4 373 B16R2.33556 CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210202 [0,1,0,0,1,0|0,0,0]=2 374 B16R2.33556 CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210202 [0,1,0,0,1,0|0,0,2]=4 375 B16R2.33556 CNC(=O)C=C1OC(=O)c2c1cccc2 240690a_100102657272_200000693922 [0,1,0,0,1,0|1,0,0]=3 376 B16R2.33556 O=C(C=C1OC(=O)c2c1cccc2)CF 1458a_200000693922_100015361967 [0,1,0,0,1,0|1,0,0]=3 377 B18R2.10151 CCC(=O)CSc1cc2ccccc2c(=O)[nH]1 62a_100000747405_200015811170 [0,2,0,0,0,0|1,0,1]=4 378 B18R2.63530 CC(C)CC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016259101_100000090176 [0,2,0,0,0,0|2,0,0]=4 379 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2c1)N 271570a_100016259101_100010171453 [0,2,0,0,0,0|2,0,0]=4 380 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2c1)O 271570a_100016259101_100010089979 [0,2,0,0,0,0|1,0,1]=4 381 B18R2.63530 CC(C)CC=Cc1cc2ccccc2c(n1)N 271570a_100016259101_100009957331 [0,2,0,0,0,0|2,0,0]=4 382 B18R2.75286 CC/C=C\CNc1cc(c2ccccc2c1)Br 34a_100010089974_100103147603 [0,2,0,0,0,0|2,0,0]=4 383 B18R2.75286 CC/C=C\CNc1cc(c2ccccc2c1)Br 7a_100010089974_100103147603 [0,2,0,0,0,0|2,0,0]=4 384 B18R2.75286 CC/C=C\COc1cc(c2ccccc2c1)Br 34a_100010001680_100103147603 [0,2,0,0,0,0|2,0,0]=4 385 B18R2.75286 CC/C=C\COc1cc(c2ccccc2c1)Br 7a_100010001680_100103147603 [0,2,0,0,0,0|2,0,0]=4 386 B18R2.75286 CC/C=C\CSc1cc(=O)c2ccccc2[nH]1 62a_100103147603_100000090176 [0,2,0,0,0,0|2,0,0]=4 387 B18R2.75286 CC/C=C\CSc1cc(c2ccccc2c1)N 62a_100010171453_100103147603 [0,2,0,0,0,0|2,0,0]=4 388 B18R2.75286 CC/C=C\CSc1cc(c2ccccc2c1)N 62a_100103147603_100010171453 [0,2,0,0,0,0|2,0,0]=4 389 B18R2.75286 CC/C=C\CSc1cc(c2ccccc2c1)O 62a_100103147603_100010089979 [0,2,0,0,0,0|1,0,1]=4 390 B18R2.75286 CC/C=C\CSc1cc2ccccc2c(=O)[nH]1 62a_100103147603_200015811170 [0,2,0,0,0,0|1,0,0]=3 391 B18R2.75286 CC/C=C\CSc1cc2ccccc2c(n1)N 62a_100009957331_100103147603 [0,2,0,0,0,0|2,0,0]=4 392 B18R2.75286 CC/C=C\CSc1cc2ccccc2c(n1)N 62a_100103147603_100009957331 [0,2,0,0,0,0|2,0,0]=4 393 B18R2.75286 CCCCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016275911_100000090176 [0,2,0,0,0,0|2,0,0]=4 394 B18R2.75286 CCCCC=Cc1cc(c2ccccc2c1)N 271570a_100016275911_100010171453 [0,2,0,0,0,0|2,0,0]=4 395 B18R2.75286 CCCCC=Cc1cc(c2ccccc2c1)O 271570a_100016275911_100010089979 [0,2,0,0,0,0|1,0,1]=4 396 B18R2.75286 CCCCC=Cc1cc2ccccc2c(n1)N 271570a_100016275911_100009957331 [0,2,0,0,0,0|2,0,0]=4 397 B18R2.146216 CCCC=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016258520_100010201084 [0,2,0,0,0,0|2,0,0]=4 398 B18R2.146216 CCOC=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016256518_100010201084 [0,2,0,0,0,0|2,0,0]=4 399 B18R2.146216 COCC=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016286323_100010201084 [0,2,0,0,0,0|2,0,0]=4 400 B18R2.146248 CCCC=Cc1nc2ccccc2c(=O)n1C 271570a_100016258520_200000215938 [0,2,0,0,0,0|2,0,0]=4 401 B18R2.146248 CCOC=Cc1nc2ccccc2c(=O)n1C 271570a_100016256518_200000215938 [0,2,0,0,0,0|2,0,0]=4 402 B18R2.146248 COCC=Cc1nc2ccccc2c(=O)n1C 271570a_100016286323_200000215938 [0,2,0,0,0,0|2,0,0]=4 403 B18R2.342245 CC(C)C=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016257149_100010201084 [0,2,0,0,0,0|2,0,0]=4 404 B18R2.342245 CC(O)C=Cc1cc(c2cc(ccc2c1)O)F 271570a_200011019289_100010201084 [0,2,0,0,0,0|2,0,0]=4 405 B18R2.513832 CC(C)(C)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100102527731_100000090176 [0,2,0,0,0,0|2,0,0]=4 406 B18R2.513832 CC(C)(C)C=Cc1cc(c2ccccc2c1)N 271570a_100102527731_100010171453 [0,2,0,0,0,0|2,0,0]=4 407 B18R2.513832 CC(C)(C)C=Cc1cc(c2ccccc2c1)O 271570a_100102527731_100010089979 [0,2,0,0,0,0|1,0,1]=4 408 B18R2.513832 CC(C)(C)C=Cc1cc2ccccc2c(n1)N 271570a_100102527731_100009957331 [0,2,0,0,0,0|2,0,0]=4 409 B18R2.513832 CC(C)(O)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_200016258132_100000090176 [0,2,0,0,0,0|2,0,0]=4 410 B18R2.513832 CC(C)(O)C=Cc1cc(c2ccccc2c1)N 271570a_200016258132_100010171453 [0,2,0,0,0,0|2,0,0]=4 411 B18R2.513832 CC(C)(O)C=Cc1cc(c2ccccc2c1)O 271570a_200016258132_100010089979 [0,2,0,0,0,0|1,0,1]=4 412 B18R2.513832 CC(C)(O)C=Cc1cc2ccccc2c(n1)N 271570a_200016258132_100009957331 [0,2,0,0,0,0|2,0,0]=4 413 B18R2.2932343 CC(C)C=Cc1nc2ccccc2c(=O)n1C 271570a_100016257149_200000215938 [0,2,0,0,0,0|2,0,0]=4 414 B18R2.2932343 CC(O)C=Cc1nc2ccccc2c(=O)n1C 271570a_200011019289_200000215938 [0,2,0,0,0,0|2,0,0]=4 415 B16R2.3033 CC(=O)c1ccccc1c2cccn2C 271570a_100000068268_100000751169 [0,0,1,1,0,0|2,0,0]=4 416 B16R2.3033 Cn1cccc1c2ccccc2C(=O)N 271570a_100000068268_100000162227 [0,0,1,1,0,0|2,0,0]=4 417 B16R2.2474 O=Cc1ccccc1c2ccccc2O 271570a_100000035170_100000211189 [0,0,1,1,0,0|0,0,2]=4 418 B16R2.2474 O=Cc1ccccc1c2ccccc2O 271570a_100000740022_100000739446 [0,0,1,1,0,0|0,0,2]=4 419 B16R2.2474 O=Cc1ccccc1c2ncccc2O 271570a_100000740022_100000034122 [0,0,1,1,0,0|1,0,1]=4 420 B18R3.6548 Nc1cc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100010171453 [0,1,0,1,0,0|2,0,0]=4 421 B18R3.6548 Nc1cc(cc2c1cccc2)C3=CCOC3 271570a_100009872500_100010171453 [0,1,0,1,0,0|2,0,0]=4 422 B18R3.6548 Nc1cc(cc2c1cccc2)C3=COCC3 271570a_100000118173_100010171453 [0,1,0,1,0,0|2,0,0]=4 423 B18R3.6548 Nc1nc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100009957331 [0,1,0,1,0,0|2,0,0]=4 424 B18R3.6548 Nc1nc(cc2c1cccc2)C3=CCOC3 271570a_100009872500_100009957331 [0,1,0,1,0,0|2,0,0]=4 425 B18R3.6548 Nc1nc(cc2c1cccc2)C3=COCC3 271570a_100000118173_100009957331 [0,1,0,1,0,0|2,0,0]=4 426 B18R3.6548 O=c1cc([nH]c2c1cccc2)C3=CCCC3 271570a_100000089523_100000090176 [0,1,0,1,0,0|2,0,0]=4 427 B18R3.6548 O=c1cc([nH]c2c1cccc2)C3=CCOC3 271570a_100009872500_100000090176 [0,1,0,1,0,0|2,0,0]=4 428 B18R3.6548 O=c1cc([nH]c2c1cccc2)C3=COCC3 271570a_100000118173_100000090176 [0,1,0,1,0,0|2,0,0]=4 429 B18R3.6548 Oc1cc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100010089979 [0,1,0,1,0,0|1,0,1]=4 430 B18R3.6548 Oc1cc(cc2c1cccc2)C3=CCOC3 271570a_100009872500_100010089979 [0,1,0,1,0,0|1,0,1]=4 431 B18R3.6548 Oc1cc(cc2c1cccc2)C3=COCC3 271570a_100000118173_100010089979 [0,1,0,1,0,0|1,0,1]=4 432 B18R3.100899 Nc1cc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100010171453 [0,1,0,1,0,0|2,0,0]=4 433 B18R3.100899 Nc1nc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100009957331 [0,1,0,1,0,0|2,0,0]=4 434 B18R3.100899 O=c1cc([nH]c2c1cccc2)C=CC3CC3 271570a_100102526188_100000090176 [0,1,0,1,0,0|2,0,0]=4 435 B18R3.100899 Oc1cc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100010089979 [0,1,0,1,0,0|1,0,1]=4 436 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [1,0,0,0,1,0|0,0,2]=4 437 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [1,0,0,0,1,0|1,0,1]=4 438 B14R2.67 CCNCc1cc2ccccc2o1 207a_100015525214_100000229944 [1,0,0,0,1,0|1,0,1]=4 439 B14R2.67 CCNCc1cc2ccccc2o1 270004a_100015525214_100000229944 [1,0,0,0,1,0|1,0,1]=4 440 B14R2.67 CCOCc1cc2ccccc2o1 34a_100000233474_100000210202 [1,0,0,0,1,0|1,0,1]=4 441 B14R2.67 CCOCc1cc2ccccc2o1 7a_100000233474_100000210202 [1,0,0,0,1,0|1,0,1]=4 442 B14R2.44 CC=Cc1sc2ccccc2c1C 271570a_100016259895_200010198769 [1,0,0,0,1,0|2,0,0]=4 443 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [1,0,0,0,1,0|1,0,1]=4 444 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [1,0,0,0,1,0|1,0,1]=4 445 B16R1.700 CCC=CC(=O)CCC(=O)c1ccccc1 1458a_100000212282_100000750707 [0,0,1,0,0,1|2,0,0]=4 446 B16R1.700 CCC=CC(=O)COC(=O)c1ccccc1 1458a_100000212282_100000073877 [0,0,1,0,0,1|1,0,0]=3 447 B16R1.700 CCC=CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000212282 [0,0,1,0,0,1|2,0,0]=4 448 B16R1.700 COC=CC(=O)COC(=O)c1ccccc1 1458a_100016268678_100000073877 [0,0,1,0,0,1|2,0,0]=4 449 B16R1.1497 CCC=CC(=O)CC(=O)Cc1ccccc1 1458a_100000212282_100000233483 [0,0,1,0,0,1|2,0,0]=4 450 B16R1.1497 CCC=CC(=O)CC(=O)Nc1ccccc1 1458a_100000212282_100000182850 [0,0,1,0,0,1|2,0,0]=4 451 B16R1.1497 CCC=CC(=O)CC(=O)Oc1ccccc1 1458a_100000212282_100009813826 [0,0,1,0,0,1|2,0,0]=4 452 B16R1.1454 CCC=CC(=O)CCc1ccccc1C=O 1458a_100000212282_100010186698 [0,0,1,0,0,1|0,0,2]=4 453 B16R2.12192 CCNN=C1COC(=O)c2c1cccc2 4a_100000756455_200010632819 [0,0,0,0,1,1|2,0,0]=4 454 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [2,0,1,0,0,0|0,0,1]=4 455 B13R1.84 CCCC=Cc1ccccc1C=O 271570a_100016258520_100000211189 [2,0,1,0,0,0|0,0,1]=4 456 B13R1.84 CCOC=Cc1ccccc1C=O 271570a_100016256518_100000211189 [2,0,1,0,0,0|1,0,0]=4 457 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [2,0,1,0,0,0|0,0,1]=4 458 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [2,0,1,0,0,0|1,0,0]=4 459 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [2,0,1,0,0,0|1,0,0]=4 460 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [2,0,1,0,0,0|1,0,0]=4 461 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [3,0,0,0,0,0|1,0,0]=4 462 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [3,0,0,0,0,0|1,0,0]=4 463 B15R1.138 CCC=CC=NNC(=O)c1ccccc1 4a_100000184135_100011216943 [1,1,1,0,0,0|1,0,0]=4 464 B15R1.768 CCOC(=O)C=Cc1ccccc1C=O 271570a_100010199719_100000211189 [1,1,1,0,0,0|1,0,0]=4 465 B15R1.1191 CCCC=Cc1ccccc1C(=O)OC 271570a_100016258520_100000148710 [1,1,1,0,0,0|0,0,1]=4 466 B15R1.1191 CCOC=Cc1ccccc1C(=O)OC 271570a_100016256518_100000148710 [1,1,1,0,0,0|1,0,0]=4 467 B15R2.888 CC=Cc1cc2ccccc2cc1Br 271570a_100016259895_200010169544 [2,1,0,0,0,0|1,0,0]=4 468 B15R2.888 CC=Cc1cc2ccccc2cc1Cl 271570a_100016259895_100010152806 [2,1,0,0,0,0|1,0,0]=4 469 B15R2.888 CC=Cc1cc2ccccc2cc1N 271570a_100016259895_100009991566 [2,1,0,0,0,0|1,0,0]=4 470 B15R2.888 CC=Cc1cc2ccccc2cc1O 271570a_100016259895_100009817189 [2,1,0,0,0,0|1,0,0]=4 471 B15R2.1282 CC=Cc1cc2cc(ccc2cn1)F 271570a_100016259895_100009828686 [2,1,0,0,0,0|1,0,0]=4 472 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)N 271570a_100016259895_100010090036 [2,1,0,0,0,0|1,0,0]=4 473 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)O 271570a_100016259895_100009816537 [2,1,0,0,0,0|1,0,0]=4 474 B15R2.1290 CC=Cc1ccc2cccc(c2c1)C 271570a_100016259895_100010089936 [2,1,0,0,0,0|1,0,0]=4 475 B15R2.1290 CC=Cc1ccc2cccc(c2c1)N 271570a_100016259895_100010090012 [2,1,0,0,0,0|1,0,0]=4 476 B15R2.1290 CC=Cc1ccc2cccc(c2c1)O 271570a_100016259895_100010089991 [2,1,0,0,0,0|1,0,0]=4 477 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210202 [2,1,0,0,0,0|1,0,0]=4 478 B15R2.1668 CC(=Cc1cc2ccccc2cn1)C 271570a_100102525489_100000047361 [2,1,0,0,0,0|1,0,0]=4 479 B15R2.1668 CC(=Cc1ccc2ccccc2c1)C 271570a_100102525489_100000233703 [2,1,0,0,0,0|1,0,0]=4 480 B15R2.2220 CC=Cc1ccc2ccccc2c1Br 271570a_100016259895_200010089984 [2,1,0,0,0,0|1,0,0]=4 481 B15R2.2220 CC=Cc1ccc2ccccc2c1C 271570a_100016259895_100010221197 [2,1,0,0,0,0|1,0,0]=4 482 B15R2.2220 CC=Cc1ccc2ccccc2c1F 271570a_100016259895_100009832041 [2,1,0,0,0,0|1,0,0]=4 483 B15R2.2220 CC=Cc1ccc2ccccc2c1N 271570a_100016259895_100009817101 [2,1,0,0,0,0|1,0,0]=4 484 B15R2.2220 CC=Cc1ccc2ccccc2c1O 271570a_100016259895_100009996032 [2,1,0,0,0,0|1,0,0]=4 485 B15R2.2220 CC=Cc1ncc2ccccc2c1N 271570a_100016259895_100000087573 [2,1,0,0,0,0|1,0,0]=4 486 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)Br 271570a_100016259895_100012344972 [2,1,0,0,0,0|1,0,0]=4 487 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)F 271570a_100016259895_100009817052 [2,1,0,0,0,0|1,0,0]=4 488 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)N 271570a_100016259895_100000185457 [2,1,0,0,0,0|1,0,0]=4 489 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)O 271570a_100016259895_100000185455 [2,1,0,0,0,0|1,0,0]=4 490 B15R2.54379 CC=Cc1ccc2c(cccc2c1)N 271570a_100016259895_100010090037 [2,1,0,0,0,0|1,0,0]=4 491 B15R2.54379 CC=Cc1ccc2c(cccc2c1)O 271570a_100016259895_100010202202 [2,1,0,0,0,0|1,0,0]=4 492 B15R2.1569 CCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210202 [1,1,0,0,1,0|0,0,1]=4 493 B15R2.1660 CC(C)C=Cc1cc2ccccc2[nH]1 271570a_100016257149_100010232065 [1,1,0,0,1,0|1,0,0]=4 494 B15R2.1660 CC(C)C=Cc1cc2ccccc2o1 271570a_100016257149_100010159458 [1,1,0,0,1,0|0,0,0]=3 495 B15R2.1660 CC(C)C=Cc1cc2ccccc2s1 271570a_100016257149_100009816949 [1,1,0,0,1,0|0,1,0]=4 496 B15R2.1660 CC(O)C=Cc1cc2ccccc2[nH]1 271570a_200011019289_100010232065 [1,1,0,0,1,0|1,0,0]=4 497 B15R2.1660 CC(O)C=Cc1cc2ccccc2o1 271570a_200011019289_100010159458 [1,1,0,0,1,0|0,0,0]=3 498 B15R2.1660 CC(O)C=Cc1cc2ccccc2s1 271570a_200011019289_100009816949 [1,1,0,0,1,0|0,1,0]=4 499 B15R2.2203 CCCC=Cc1cc2ccccc2[nH]1 271570a_100016258520_100010232065 [1,1,0,0,1,0|1,0,0]=4 500 B15R2.2203 CCCC=Cc1cc2ccccc2o1 271570a_100016258520_100010159458 [1,1,0,0,1,0|0,0,0]=3 501 B15R2.2203 CCCC=Cc1cc2ccccc2s1 271570a_100016258520_100009816949 [1,1,0,0,1,0|0,1,0]=4 502 B15R2.2203 CCNN=Cc1cc2ccccc2o1 4a_100000756455_100000229944 [1,1,0,0,1,0|1,0,0]=4 503 B15R2.2203 CCOC=Cc1cc2ccccc2[nH]1 271570a_100016256518_100010232065 [1,1,0,0,1,0|1,0,0]=4 504 B15R2.2203 CCOC=Cc1cc2ccccc2o1 271570a_100016256518_100010159458 [1,1,0,0,1,0|0,0,0]=3 505 B15R2.2203 CCOC=Cc1cc2ccccc2s1 271570a_100016256518_100009816949 [1,1,0,0,1,0|0,1,0]=4 506 B15R2.2203 COCC=Cc1cc2ccccc2[nH]1 271570a_100016286323_100010232065 [1,1,0,0,1,0|1,0,0]=4 507 B15R2.2203 COCC=Cc1cc2ccccc2o1 271570a_100016286323_100010159458 [1,1,0,0,1,0|0,0,0]=3 508 B15R2.2203 COCC=Cc1cc2ccccc2s1 271570a_100016286323_100009816949 [1,1,0,0,1,0|0,1,0]=4 509 B15R2.53147 CC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200000210301 [1,1,0,0,1,0|0,0,0]=3 510 B15R2.53147 [13CH3]C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200025704644 [1,1,0,0,1,0|0,0,0]=3 511 B17R1.971 CC/C=C(\C)/C(=O)COC(=O)c1ccccc1 1458a_100016988807_100000073877 [0,1,1,0,0,1|1,0,0]=4 512 B17R1.1231 CCC(=CC(=O)COC(=O)c1ccccc1)C 1458a_100020758463_100000073877 [0,1,1,0,0,1|1,0,0]=4 513 B17R1.1299 CC/C=C/CC(=O)COC(=O)c1ccccc1 1458a_100016274230_100000073877 [0,1,1,0,0,1|1,0,0]=4 514 B17R1.1299 CCCC=CC(=O)COC(=O)c1ccccc1 1458a_100000212230_100000073877 [0,1,1,0,0,1|1,0,0]=4 515 B17R1.1299 CCOC=CC(=O)COC(=O)c1ccccc1 1458a_100016266692_100000073877 [0,1,1,0,0,1|1,0,0]=4 516 B17R1.1299 CNC/C=C/C(=O)OCC(=O)c1ccccc1 34a_100102657272_200009813911 [0,1,1,0,0,1|1,0,0]=4 517 B17R1.1299 CNC/C=C/C(=O)OCC(=O)c1ccccc1 7a_106832991635_200009813911 [0,1,1,0,0,1|1,0,0]=4 518 B17R1.1299 COC/C=C/C(=O)OCC(=O)c1ccccc1 34a_100138415774_200009813911 [0,1,1,0,0,1|1,0,0]=4 519 B17R1.1299 COCC=CC(=O)COC(=O)c1ccccc1 1458a_100016285016_100000073877 [0,1,1,0,0,1|1,0,0]=4 520 B17R1.1299 CSC/C=C/C(=O)OCC(=O)c1ccccc1 62a_200000210301_200009813911 [0,1,1,0,0,1|1,0,0]=4 521 B17R1.1299 CSC/C=C/C(=O)OCC(=O)c1ccccc1 62a_200009813911_200000210301 [0,1,1,0,0,1|1,0,0]=4 522 B17R1.1299 [13CH3]SC/C=C/C(=O)OCC(=O)c1ccccc1 62a_200009813911_200025704644 [0,1,1,0,0,1|1,0,0]=4 523 B17R1.1299 [13CH3]SC/C=C/C(=O)OCC(=O)c1ccccc1 62a_200025704644_200009813911 [0,1,1,0,0,1|1,0,0]=4 524 B17R1.1327 CC(C)C=CC(=O)COC(=O)c1ccccc1 1458a_100016268746_100000073877 [0,1,1,0,0,1|1,0,0]=4 525 B17R1.1893 CC/C=C\CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100103147603 [0,2,1,0,0,0|0,0,1]=4 526 B17R1.4858 CCOC(=O)C=Cc1ccccc1C(=O)OC 271570a_100010199719_100000148710 [0,2,1,0,0,0|1,0,0]=4 527 B17R1.4921 CCC=CC(=O)Cc1ccccc1C(=O)OC 1458a_100000212282_100000744672 [0,2,1,0,0,0|0,0,1]=4 528 B17R2.5006 CC(C)C=Cc1cc2ccccc2cc1Br 271570a_100016257149_200010169544 [1,2,0,0,0,0|1,0,0]=4 529 B17R2.5006 CC(C)C=Cc1cc2ccccc2cc1Cl 271570a_100016257149_100010152806 [1,2,0,0,0,0|1,0,0]=4 530 B17R2.5006 CC(C)C=Cc1cc2ccccc2cc1N 271570a_100016257149_100009991566 [1,2,0,0,0,0|1,0,0]=4 531 B17R2.5006 CC(C)C=Cc1cc2ccccc2cc1O 271570a_100016257149_100009817189 [1,2,0,0,0,0|1,0,0]=4 532 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1Br 271570a_200011019289_200010169544 [1,2,0,0,0,0|1,0,0]=4 533 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1Cl 271570a_200011019289_100010152806 [1,2,0,0,0,0|1,0,0]=4 534 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1N 271570a_200011019289_100009991566 [1,2,0,0,0,0|1,0,0]=4 535 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1O 271570a_200011019289_100009817189 [1,2,0,0,0,0|1,0,0]=4 536 B17R2.10056 CC(C)(C)C=Cc1cc2ccccc2cn1 271570a_100102527731_100000047361 [1,2,0,0,0,0|1,0,0]=4 537 B17R2.10056 CC(C)(C)C=Cc1ccc2ccccc2c1 271570a_100102527731_100000233703 [1,2,0,0,0,0|1,0,0]=4 538 B17R2.10056 CC(C)(O)C=Cc1cc2ccccc2cn1 271570a_200016258132_100000047361 [1,2,0,0,0,0|1,0,0]=4 539 B17R2.10056 CC(C)(O)C=Cc1ccc2ccccc2c1 271570a_200016258132_100000233703 [1,2,0,0,0,0|1,0,0]=4 540 B17R2.19729 CC(C)C=Cc1cc2cc(ccc2cn1)F 271570a_100016257149_100009828686 [1,2,0,0,0,0|1,0,0]=4 541 B17R2.19729 CC(C)C=Cc1ccc2ccc(cc2c1)N 271570a_100016257149_100010090036 [1,2,0,0,0,0|1,0,0]=4 542 B17R2.19729 CC(C)C=Cc1ccc2ccc(cc2c1)O 271570a_100016257149_100009816537 [1,2,0,0,0,0|1,0,0]=4 543 B17R2.19729 CC(O)C=Cc1cc2cc(ccc2cn1)F 271570a_200011019289_100009828686 [1,2,0,0,0,0|1,0,0]=4 544 B17R2.19729 CC(O)C=Cc1ccc2ccc(cc2c1)N 271570a_200011019289_100010090036 [1,2,0,0,0,0|1,0,0]=4 545 B17R2.19729 CC(O)C=Cc1ccc2ccc(cc2c1)O 271570a_200011019289_100009816537 [1,2,0,0,0,0|1,0,0]=4 546 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)Br 271570a_100016257149_100012344972 [1,2,0,0,0,0|1,0,0]=4 547 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)F 271570a_100016257149_100009817052 [1,2,0,0,0,0|1,0,0]=4 548 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)N 271570a_100016257149_100000185457 [1,2,0,0,0,0|1,0,0]=4 549 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)O 271570a_100016257149_100000185455 [1,2,0,0,0,0|1,0,0]=4 550 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)Br 271570a_200011019289_100012344972 [1,2,0,0,0,0|1,0,0]=4 551 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)F 271570a_200011019289_100009817052 [1,2,0,0,0,0|1,0,0]=4 552 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)N 271570a_200011019289_100000185457 [1,2,0,0,0,0|1,0,0]=4 553 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)O 271570a_200011019289_100000185455 [1,2,0,0,0,0|1,0,0]=4 554 B17R2.37485 CC(C)C=Cc1ccc2c(cccc2c1)N 271570a_100016257149_100010090037 [1,2,0,0,0,0|1,0,0]=4 555 B17R2.37485 CC(C)C=Cc1ccc2c(cccc2c1)O 271570a_100016257149_100010202202 [1,2,0,0,0,0|1,0,0]=4 556 B17R2.37485 CC(O)C=Cc1ccc2c(cccc2c1)N 271570a_200011019289_100010090037 [1,2,0,0,0,0|1,0,0]=4 557 B17R2.37485 CC(O)C=Cc1ccc2c(cccc2c1)O 271570a_200011019289_100010202202 [1,2,0,0,0,0|1,0,0]=4 558 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1Br 271570a_100016257149_200010089984 [1,2,0,0,0,0|1,0,0]=4 559 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1F 271570a_100016257149_100009832041 [1,2,0,0,0,0|1,0,0]=4 560 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1N 271570a_100016257149_100009817101 [1,2,0,0,0,0|1,0,0]=4 561 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1O 271570a_100016257149_100009996032 [1,2,0,0,0,0|1,0,0]=4 562 B17R2.155580 CC(C)C=Cc1ncc2ccccc2c1N 271570a_100016257149_100000087573 [1,2,0,0,0,0|1,0,0]=4 563 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1Br 271570a_200011019289_200010089984 [1,2,0,0,0,0|1,0,0]=4 564 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1F 271570a_200011019289_100009832041 [1,2,0,0,0,0|1,0,0]=4 565 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1N 271570a_200011019289_100009817101 [1,2,0,0,0,0|1,0,0]=4 566 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1O 271570a_200011019289_100009996032 [1,2,0,0,0,0|1,0,0]=4 567 B17R2.155580 CC(O)C=Cc1ncc2ccccc2c1N 271570a_200011019289_100000087573 [1,2,0,0,0,0|1,0,0]=4 568 B17R2.155580 Cc1c(ccc2c1cccc2)C=CC(C)C 271570a_100016257149_100010221197 [1,2,0,0,0,0|1,0,0]=4 569 B17R2.155580 Cc1c(ccc2c1cccc2)C=CC(C)O 271570a_200011019289_100010221197 [1,2,0,0,0,0|1,0,0]=4 570 B17R2.252072 CC(C)C=Cc1ccc2cccc(c2c1)N 271570a_100016257149_100010090012 [1,2,0,0,0,0|1,0,0]=4 571 B17R2.252072 CC(C)C=Cc1ccc2cccc(c2c1)O 271570a_100016257149_100010089991 [1,2,0,0,0,0|1,0,0]=4 572 B17R2.252072 CC(O)C=Cc1ccc2cccc(c2c1)N 271570a_200011019289_100010090012 [1,2,0,0,0,0|1,0,0]=4 573 B17R2.252072 CC(O)C=Cc1ccc2cccc(c2c1)O 271570a_200011019289_100010089991 [1,2,0,0,0,0|1,0,0]=4 574 B17R2.252072 Cc1cccc2c1cc(cc2)C=CC(C)C 271570a_100016257149_100010089936 [1,2,0,0,0,0|1,0,0]=4 575 B17R2.252072 Cc1cccc2c1cc(cc2)C=CC(C)O 271570a_200011019289_100010089936 [1,2,0,0,0,0|1,0,0]=4 576 B17R2.12116 CCCC=Cc1cc2ccccc2cc1Br 271570a_100016258520_200010169544 [1,2,0,0,0,0|1,0,0]=4 577 B17R2.12116 CCCC=Cc1cc2ccccc2cc1Cl 271570a_100016258520_100010152806 [1,2,0,0,0,0|1,0,0]=4 578 B17R2.12116 CCCC=Cc1cc2ccccc2cc1N 271570a_100016258520_100009991566 [1,2,0,0,0,0|1,0,0]=4 579 B17R2.12116 CCCC=Cc1cc2ccccc2cc1O 271570a_100016258520_100009817189 [1,2,0,0,0,0|1,0,0]=4 580 B17R2.12116 CCOC=Cc1cc2ccccc2cc1Br 271570a_100016256518_200010169544 [1,2,0,0,0,0|1,0,0]=4 581 B17R2.12116 CCOC=Cc1cc2ccccc2cc1Cl 271570a_100016256518_100010152806 [1,2,0,0,0,0|1,0,0]=4 582 B17R2.12116 CCOC=Cc1cc2ccccc2cc1N 271570a_100016256518_100009991566 [1,2,0,0,0,0|1,0,0]=4 583 B17R2.12116 CCOC=Cc1cc2ccccc2cc1O 271570a_100016256518_100009817189 [1,2,0,0,0,0|1,0,0]=4 584 B17R2.12116 COCC=Cc1cc2ccccc2cc1Br 271570a_100016286323_200010169544 [1,2,0,0,0,0|1,0,0]=4 585 B17R2.12116 COCC=Cc1cc2ccccc2cc1Cl 271570a_100016286323_100010152806 [1,2,0,0,0,0|1,0,0]=4 586 B17R2.12116 COCC=Cc1cc2ccccc2cc1N 271570a_100016286323_100009991566 [1,2,0,0,0,0|1,0,0]=4 587 B17R2.12116 COCC=Cc1cc2ccccc2cc1O 271570a_100016286323_100009817189 [1,2,0,0,0,0|1,0,0]=4 588 B17R2.2015 CCCC=Cc1cc2cc(ccc2cn1)F 271570a_100016258520_100009828686 [1,2,0,0,0,0|1,0,0]=4 589 B17R2.2015 CCCC=Cc1ccc2ccc(cc2c1)N 271570a_100016258520_100010090036 [1,2,0,0,0,0|1,0,0]=4 590 B17R2.2015 CCCC=Cc1ccc2ccc(cc2c1)O 271570a_100016258520_100009816537 [1,2,0,0,0,0|1,0,0]=4 591 B17R2.2015 CCOC=Cc1cc2cc(ccc2cn1)F 271570a_100016256518_100009828686 [1,2,0,0,0,0|1,0,0]=4 592 B17R2.2015 CCOC=Cc1ccc2ccc(cc2c1)N 271570a_100016256518_100010090036 [1,2,0,0,0,0|1,0,0]=4 593 B17R2.2015 CCOC=Cc1ccc2ccc(cc2c1)O 271570a_100016256518_100009816537 [1,2,0,0,0,0|1,0,0]=4 594 B17R2.2015 COCC=Cc1cc2cc(ccc2cn1)F 271570a_100016286323_100009828686 [1,2,0,0,0,0|1,0,0]=4 595 B17R2.2015 COCC=Cc1ccc2ccc(cc2c1)N 271570a_100016286323_100010090036 [1,2,0,0,0,0|1,0,0]=4 596 B17R2.2015 COCC=Cc1ccc2ccc(cc2c1)O 271570a_100016286323_100009816537 [1,2,0,0,0,0|1,0,0]=4 597 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)C 271570a_100016258520_100010089936 [1,2,0,0,0,0|1,0,0]=4 598 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)N 271570a_100016258520_100010090012 [1,2,0,0,0,0|1,0,0]=4 599 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)O 271570a_100016258520_100010089991 [1,2,0,0,0,0|1,0,0]=4 600 B17R2.2023 CCOC=Cc1ccc2cccc(c2c1)C 271570a_100016256518_100010089936 [1,2,0,0,0,0|1,0,0]=4 601 B17R2.2023 CCOC=Cc1ccc2cccc(c2c1)N 271570a_100016256518_100010090012 [1,2,0,0,0,0|1,0,0]=4 602 B17R2.2023 CCOC=Cc1ccc2cccc(c2c1)O 271570a_100016256518_100010089991 [1,2,0,0,0,0|1,0,0]=4 603 B17R2.2023 COCC=Cc1ccc2cccc(c2c1)C 271570a_100016286323_100010089936 [1,2,0,0,0,0|1,0,0]=4 604 B17R2.2023 COCC=Cc1ccc2cccc(c2c1)N 271570a_100016286323_100010090012 [1,2,0,0,0,0|1,0,0]=4 605 B17R2.2023 COCC=Cc1ccc2cccc(c2c1)O 271570a_100016286323_100010089991 [1,2,0,0,0,0|1,0,0]=4 606 B17R2.2708 CCCC=Cc1ccc2ccccc2c1Br 271570a_100016258520_200010089984 [1,2,0,0,0,0|1,0,0]=4 607 B17R2.2708 CCCC=Cc1ccc2ccccc2c1C 271570a_100016258520_100010221197 [1,2,0,0,0,0|1,0,0]=4 608 B17R2.2708 CCCC=Cc1ccc2ccccc2c1F 271570a_100016258520_100009832041 [1,2,0,0,0,0|1,0,0]=4 609 B17R2.2708 CCCC=Cc1ccc2ccccc2c1N 271570a_100016258520_100009817101 [1,2,0,0,0,0|1,0,0]=4 610 B17R2.2708 CCCC=Cc1ccc2ccccc2c1O 271570a_100016258520_100009996032 [1,2,0,0,0,0|1,0,0]=4 611 B17R2.2708 CCCC=Cc1ncc2ccccc2c1N 271570a_100016258520_100000087573 [1,2,0,0,0,0|1,0,0]=4 612 B17R2.2708 CCOC=Cc1ccc2ccccc2c1Br 271570a_100016256518_200010089984 [1,2,0,0,0,0|1,0,0]=4 613 B17R2.2708 CCOC=Cc1ccc2ccccc2c1C 271570a_100016256518_100010221197 [1,2,0,0,0,0|1,0,0]=4 614 B17R2.2708 CCOC=Cc1ccc2ccccc2c1F 271570a_100016256518_100009832041 [1,2,0,0,0,0|1,0,0]=4 615 B17R2.2708 CCOC=Cc1ccc2ccccc2c1N 271570a_100016256518_100009817101 [1,2,0,0,0,0|1,0,0]=4 616 B17R2.2708 CCOC=Cc1ccc2ccccc2c1O 271570a_100016256518_100009996032 [1,2,0,0,0,0|1,0,0]=4 617 B17R2.2708 CCOC=Cc1ncc2ccccc2c1N 271570a_100016256518_100000087573 [1,2,0,0,0,0|1,0,0]=4 618 B17R2.2708 COCC=Cc1ccc2ccccc2c1Br 271570a_100016286323_200010089984 [1,2,0,0,0,0|1,0,0]=4 619 B17R2.2708 COCC=Cc1ccc2ccccc2c1C 271570a_100016286323_100010221197 [1,2,0,0,0,0|1,0,0]=4 620 B17R2.2708 COCC=Cc1ccc2ccccc2c1F 271570a_100016286323_100009832041 [1,2,0,0,0,0|1,0,0]=4 621 B17R2.2708 COCC=Cc1ccc2ccccc2c1N 271570a_100016286323_100009817101 [1,2,0,0,0,0|1,0,0]=4 622 B17R2.2708 COCC=Cc1ccc2ccccc2c1O 271570a_100016286323_100009996032 [1,2,0,0,0,0|1,0,0]=4 623 B17R2.2708 COCC=Cc1ncc2ccccc2c1N 271570a_100016286323_100000087573 [1,2,0,0,0,0|1,0,0]=4 624 B17R2.5669 CC(C)CC=Cc1cc2ccccc2cn1 271570a_100016259101_100000047361 [1,2,0,0,0,0|1,0,0]=4 625 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2c1 271570a_100016259101_100000233703 [1,2,0,0,0,0|1,0,0]=4 626 B17R2.5879 CC/C=C\CNc1ccc2ccccc2c1 34a_100000211940_100103147603 [1,2,0,0,0,0|1,0,0]=4 627 B17R2.5879 CC/C=C\CNc1ccc2ccccc2c1 7a_100000211940_100103147603 [1,2,0,0,0,0|1,0,0]=4 628 B17R2.5879 CC/C=C\COc1ccc2ccccc2c1 34a_100000185828_100103147603 [1,2,0,0,0,0|1,0,0]=4 629 B17R2.5879 CC/C=C\COc1ccc2ccccc2c1 7a_100000185828_100103147603 [1,2,0,0,0,0|1,0,0]=4 630 B17R2.5879 CC/C=C\CSc1cc2ccccc2cn1 62a_100009816522_100103147603 [1,2,0,0,0,0|1,0,0]=4 631 B17R2.5879 CC/C=C\CSc1cc2ccccc2cn1 62a_100103147603_100000047361 [1,2,0,0,0,0|1,0,0]=4 632 B17R2.5879 CC/C=C\CSc1ccc2ccccc2c1 62a_100103147603_100000233703 [1,2,0,0,0,0|1,0,0]=4 633 B17R2.5879 CCCCC=Cc1cc2ccccc2cn1 271570a_100016275911_100000047361 [1,2,0,0,0,0|1,0,0]=4 634 B17R2.5879 CCCCC=Cc1ccc2ccccc2c1 271570a_100016275911_100000233703 [1,2,0,0,0,0|1,0,0]=4 635 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)Br 271570a_100016258520_100012344972 [1,2,0,0,0,0|1,0,0]=4 636 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)F 271570a_100016258520_100009817052 [1,2,0,0,0,0|1,0,0]=4 637 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)N 271570a_100016258520_100000185457 [1,2,0,0,0,0|1,0,0]=4 638 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)O 271570a_100016258520_100000185455 [1,2,0,0,0,0|1,0,0]=4 639 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)Br 271570a_100016256518_100012344972 [1,2,0,0,0,0|1,0,0]=4 640 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)F 271570a_100016256518_100009817052 [1,2,0,0,0,0|1,0,0]=4 641 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)N 271570a_100016256518_100000185457 [1,2,0,0,0,0|1,0,0]=4 642 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)O 271570a_100016256518_100000185455 [1,2,0,0,0,0|1,0,0]=4 643 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)Br 271570a_100016286323_100012344972 [1,2,0,0,0,0|1,0,0]=4 644 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)F 271570a_100016286323_100009817052 [1,2,0,0,0,0|1,0,0]=4 645 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)N 271570a_100016286323_100000185457 [1,2,0,0,0,0|1,0,0]=4 646 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)O 271570a_100016286323_100000185455 [1,2,0,0,0,0|1,0,0]=4 647 B17R2.103529 CCCC=Cc1ccc2c(cccc2c1)N 271570a_100016258520_100010090037 [1,2,0,0,0,0|1,0,0]=4 648 B17R2.103529 CCCC=Cc1ccc2c(cccc2c1)O 271570a_100016258520_100010202202 [1,2,0,0,0,0|1,0,0]=4 649 B17R2.103529 CCOC=Cc1ccc2c(cccc2c1)N 271570a_100016256518_100010090037 [1,2,0,0,0,0|1,0,0]=4 650 B17R2.103529 CCOC=Cc1ccc2c(cccc2c1)O 271570a_100016256518_100010202202 [1,2,0,0,0,0|1,0,0]=4 651 B17R2.103529 COCC=Cc1ccc2c(cccc2c1)N 271570a_100016286323_100010090037 [1,2,0,0,0,0|1,0,0]=4 652 B17R2.103529 COCC=Cc1ccc2c(cccc2c1)O 271570a_100016286323_100010202202 [1,2,0,0,0,0|1,0,0]=4 653 B17R2.35613 CC=Cc1cc2c(cccc2c(=O)[nH]1)OC 271570a_100016259895_200010523595 [1,2,0,0,0,0|1,0,0]=4 654 B17R2.12118 CCCC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016258520_100010235092 [0,1,0,0,1,1|1,0,0]=4 655 B17R2.12118 CCOC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016256518_100010235092 [0,1,0,0,1,1|1,0,0]=4 656 B17R2.12118 COCC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016286323_100010235092 [0,1,0,0,1,1|1,0,0]=4 657 B17R2.39629 CC(C)C=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016257149_100010235092 [0,1,0,0,1,1|1,0,0]=4 658 B17R2.39629 CC(O)C=Cc1n[nH]c(=O)c2c1cccc2 271570a_200011019289_100010235092 [0,1,0,0,1,1|1,0,0]=4 659 B17R2.19030 CC/C=C\CSC1OC(=O)c2c1cccc2 62a_100103147603_100009813457 [0,2,0,0,1,0|0,0,1]=4 660 B17R2.49523 C#CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000184674 [0,2,0,0,1,0|0,0,1]=4 661 B17R2.49523 C=CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210623 [0,2,0,0,1,0|0,0,1]=4 662 B17R2.49523 CCCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210303 [0,2,0,0,1,0|0,0,0]=3 663 B17R2.49523 CCNC(=O)C=C1OC(=O)c2c1cccc2 240690a_100015525214_200000693922 [0,2,0,0,1,0|0,0,0]=3 664 B17R2.49523 CNNC(=O)C=C1OC(=O)c2c1cccc2 22a_100016993582_200000693922 [0,2,0,0,1,0|1,0,0]=4 665 B17R2.49523 N#CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100011214920 [0,2,0,0,1,0|0,0,1]=4 666 B17R2.49523 O=C(C=C1OC(=O)c2c1cccc2)CCF 1458a_200000693922_100011217306 [0,2,0,0,1,0|0,0,0]=3 667 B17R2.49523 O=C(C=C1OC(=O)c2c1cccc2)CCO 1458a_200000693922_100000211926 [0,2,0,0,1,0|0,0,0]=3 668 B17R2.78536 CC(C)C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210206 [0,2,0,0,1,0|0,0,0]=3 669 B17R2.78536 CN(C)C(=O)C=C1OC(=O)c2c1cccc2 240690a_100102631434_200000693922 [0,2,0,0,1,0|1,0,0]=4 670 B19R2.161486 CC/C=C\CCSc1cc2ccccc2c(=O)[nH]1 62a_100015370543_200015811170 [0,3,0,0,0,0|1,0,0]=4 671 B19R2.242115 CCCC=Cc1cc2c(cccc2c(=O)[nH]1)OC 271570a_100016258520_200010523595 [0,3,0,0,0,0|1,0,0]=4 672 B19R2.242115 CCOC=Cc1cc2c(cccc2c(=O)[nH]1)OC 271570a_100016256518_200010523595 [0,3,0,0,0,0|1,0,0]=4 673 B19R2.242115 COCC=Cc1cc2c(cccc2c(=O)[nH]1)OC 271570a_100016286323_200010523595 [0,3,0,0,0,0|1,0,0]=4 674 B19R2.171453 COc1cccc2c1cc([nH]c2=O)C=CC(C)C 271570a_100016257149_200010523595 [0,3,0,0,0,0|1,0,0]=4 675 B19R2.171453 COc1cccc2c1cc([nH]c2=O)C=CC(C)O 271570a_200011019289_200010523595 [0,3,0,0,0,0|1,0,0]=4 676 B15R2.66 CC=Cc1cnc(o1)c2ccccc2 271570a_100016259895_100009814072 [1,0,1,1,0,0|1,0,0]=4 677 B15R2.2302 Cn1cccc1c2ccccc2C=O 271570a_100000068268_100000211189 [1,0,1,1,0,0|1,0,0]=4 678 B15R2.2189 Cc1ccc(o1)c2ccccc2C=O 271570a_100000061910_100000211189 [0,0,1,1,1,0|0,0,1]=4 679 B17R2.8833 Cc1ccc(cc1c2ccccc2C=O)O 271570a_100000740022_100011380479 [0,0,1,1,0,1|0,0,1]=4 680 B17R2.8833 Cc1ccc(cc1c2ccccc2C=O)O 271570a_100010081663_100000211189 [0,0,1,1,0,1|0,0,1]=4 681 B17R2.268 CCCC=Cc1cnc(o1)c2ccccc2 271570a_100016258520_100009814072 [0,1,1,1,0,0|1,0,0]=4 682 B17R2.268 CCOC=Cc1cnc(o1)c2ccccc2 271570a_100016256518_100009814072 [0,1,1,1,0,0|1,0,0]=4 683 B17R2.268 COCC=Cc1cnc(o1)c2ccccc2 271570a_100016286323_100009814072 [0,1,1,1,0,0|1,0,0]=4 684 B17R2.3543 CC(C)C=Cc1cnc(o1)c2ccccc2 271570a_100016257149_100009814072 [0,1,1,1,0,0|1,0,0]=4 685 B17R2.3543 CC(O)C=Cc1cnc(o1)c2ccccc2 271570a_200011019289_100009814072 [0,1,1,1,0,0|1,0,0]=4 686 B17R2.643 COC(=O)c1ccccc1c2cccn2C 271570a_100000068268_100000148710 [0,1,1,1,0,0|1,0,0]=4 687 B17R2.63358 COC(=O)c1cccc2c1cccc2OC 34a_100010188053_200000210301 [0,1,1,1,0,0|1,0,0]=4 688 B17R2.63358 COC(=O)c1cccc2c1cccc2OC 7a_100010188053_200000210301 [0,1,1,1,0,0|1,0,0]=4 689 B17R2.63358 COC(=O)c1cccc2c1cccc2O[13CH3] 34a_100010188053_200025704644 [0,1,1,1,0,0|1,0,0]=4 690 B17R2.63358 COC(=O)c1cccc2c1cccc2O[13CH3] 7a_100010188053_200025704644 [0,1,1,1,0,0|1,0,0]=4 691 B17R2.63358 COC(=O)c1cccc2c1cccc2SC 62a_100010000187_200000210301 [0,1,1,1,0,0|1,0,0]=4 692 B17R2.63358 COC(=O)c1cccc2c1cccc2S[13CH3] 62a_100010000187_200025704644 [0,1,1,1,0,0|1,0,0]=4 693 B17R2.2533 CCc1ccc(s1)c2ccccc2C(=O)C 271570a_100010158976_100009844052 [0,1,1,1,0,0|1,0,0]=4 694 B17R2.2533 CCc1ccc(s1)c2ccccc2C(=O)N 271570a_100000041535_100009844052 [0,1,1,1,0,0|1,0,0]=4 695 B17R2.2880 CCc1ccsc1c2ccccc2C(=O)C 271570a_100010158976_200009875468 [0,1,1,1,0,0|1,0,0]=4 696 B17R2.2880 CCc1ccsc1c2ccccc2C(=O)N 271570a_100000041535_200009875468 [0,1,1,1,0,0|1,0,0]=4 697 B17R2.2880 CCc1cscc1c2ccccc2C(=O)C 271570a_100010158976_100011068457 [0,1,1,1,0,0|1,0,0]=4 698 B17R2.2880 CCc1cscc1c2ccccc2C(=O)N 271570a_100000041535_100011068457 [0,1,1,1,0,0|1,0,0]=4 699 B17R2.12538 Cc1cccc(c1c2ccccc2C=O)O 271570a_100000740022_100000686692 [0,1,1,1,0,0|0,0,1]=4 700 B17R2.12538 Cc1ccnc(c1c2ccccc2C=O)O 271570a_100000740022_100012000493 [0,1,1,1,0,0|0,0,1]=4 701 B17R3.66182 CC(=O)c1ccc2c3c1cccc3CC2 1458a_100000234796_200000210301 [0,0,1,2,0,0|1,0,0]=4 702 B17R3.66182 [13CH3]C(=O)c1ccc2c3c1cccc3CC2 1458a_100000234796_200025704644 [0,0,1,2,0,0|1,0,0]=4 703 B17R3.648661 C(=CC1CC1)c2cc3ccccc3cn2 271570a_100102526188_100000047361 [1,1,0,1,0,0|1,0,0]=4 704 B17R3.648661 C(=CC1CC1)c2ccc3ccccc3c2 271570a_100102526188_100000233703 [1,1,0,1,0,0|1,0,0]=4 705 B17R3.1917 C1=C(CCC1)c2cc3ccccc3cn2 271570a_100000089523_100000047361 [1,1,0,1,0,0|1,0,0]=4 706 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3c2 271570a_100000089523_100000233703 [1,1,0,1,0,0|1,0,0]=4 707 B17R3.1917 C1=C(CCO1)c2cc3ccccc3cn2 271570a_100000118173_100000047361 [1,1,0,1,0,0|1,0,0]=4 708 B17R3.1917 C1=C(CCO1)c2ccc3ccccc3c2 271570a_100000118173_100000233703 [1,1,0,1,0,0|1,0,0]=4 709 B17R3.1917 C1=C(COC1)c2cc3ccccc3cn2 271570a_100009872500_100000047361 [1,1,0,1,0,0|1,0,0]=4 710 B17R3.1917 C1=C(COC1)c2ccc3ccccc3c2 271570a_100009872500_100000233703 [1,1,0,1,0,0|1,0,0]=4 711 B19R3.309265 COc1ccc2c(c1)oc(=O)c3c2cccc3 34a_100000011518_200000210301 [0,2,0,1,0,0|1,0,0]=4 712 B19R3.309265 COc1ccc2c(c1)oc(=O)c3c2cccc3 7a_100000011518_200000210301 [0,2,0,1,0,0|1,0,0]=4 713 B19R3.309265 [13CH3]Oc1ccc2c(c1)oc(=O)c3c2cccc3 34a_100000011518_200025704644 [0,2,0,1,0,0|1,0,0]=4 714 B19R3.309265 [13CH3]Oc1ccc2c(c1)oc(=O)c3c2cccc3 7a_100000011518_200025704644 [0,2,0,1,0,0|1,0,0]=4 715 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [2,0,0,0,1,0|1,0,0]=4 716 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [2,0,0,0,1,0|0,0,0]=3 717 B13R2.26 CC=Cc1cc2ccccc2s1 271570a_100016259895_100009816949 [2,0,0,0,1,0|0,1,0]=4 718 B13R2.26 CCSc1cc2ccccc2o1 62a_100000210202_100010159458 [2,0,0,0,1,0|1,0,0]=4 719 B17R1.1556 CCC=CC(=O)CCOC(=O)c1ccccc1 1458a_100000212282_100000184176 [0,0,1,0,0,2|1,0,0]=4