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