0 B20R3.277098 O=C1c2ccc(cc2C(=O)N1c3ccccc3)O 271570a_203496583355_200103168701 [0,0,0,0,0,0|2,0,0]=2 1 B19R3.87979 Cn1c(cc2c1ccc(c2)Br)c3ccccc3 271570a_200010168143_100000210277 [1,0,0,0,0,0|2,0,1]=4 2 B21R3.787236 C=Cc1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 271570a_100011290941_200103168701 [0,1,0,0,0,0|2,0,0]=3 3 B21R3.787236 CSc1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 62a_200103168701_200000210301 [0,1,0,0,0,0|2,0,0]=3 4 B21R3.787236 [13CH3]Sc1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 62a_200103168701_200025704644 [0,1,0,0,0,0|2,0,0]=3 5 B19R2.2264 C=CC(c1ccccc1)N(C)c2cccc(c2)Br 2230a_100000219648_200000085779 [0,0,1,0,0,0|3,0,0]=4 6 B19R2.2264 C=CC(c1ccccc1)N(C)c2cccc(c2)Br 269982a_100000219648_200000085779 [0,0,1,0,0,0|3,0,0]=4 7 B19R2.2264 CCN(C(=O)c1cccc(c1)Br)c2ccccc2 11a_100000210013_100000210664 [0,0,1,0,0,0|2,0,1]=4 8 B19R2.2264 CCN(C(=O)c1cccc(c1)Br)c2ccccc2 1626a_100000210013_100000210664 [0,0,1,0,0,0|2,0,1]=4 9 B19R2.2264 CCN(C(=O)c1cccc(c1)Br)c2ccccc2 22a_100000210013_100000210664 [0,0,1,0,0,0|2,0,1]=4 10 B19R2.2278 C=CC(c1ccccc1)N(C)c2ccc(cc2)Br 2230a_100000219623_200000085779 [0,0,1,0,0,0|3,0,0]=4 11 B19R2.2278 C=CC(c1ccccc1)N(C)c2ccc(cc2)Br 269982a_100000219623_200000085779 [0,0,1,0,0,0|3,0,0]=4 12 B19R2.2278 CCN(C(=O)c1ccc(cc1)Br)c2ccccc2 11a_100000210013_100000185839 [0,0,1,0,0,0|2,0,1]=4 13 B19R2.2278 CCN(C(=O)c1ccc(cc1)Br)c2ccccc2 1626a_100000210013_100000185839 [0,0,1,0,0,0|2,0,1]=4 14 B19R2.2278 CCN(C(=O)c1ccc(cc1)Br)c2ccccc2 22a_100000210013_100000185839 [0,0,1,0,0,0|2,0,1]=4 15 B19R2.2278 CNC(C(=O)c1ccc(cc1)Cl)c2ccccc2 2230a_106832991635_100014546569 [0,0,1,0,0,0|2,1,0]=4 16 B19R2.2278 CNC(C(=O)c1ccc(cc1)F)c2ccccc2 2230a_106832991635_100020642289 [0,0,1,0,0,0|2,1,0]=4 17 B19R2.2278 COC(C(=O)c1ccc(cc1)Cl)c2ccccc2 34a_200005794345_200000210301 [0,0,1,0,0,0|2,1,0]=4 18 B19R2.2278 COC(C(=O)c1ccc(cc1)Cl)c2ccccc2 7a_200005794345_200000210301 [0,0,1,0,0,0|2,1,0]=4 19 B19R2.2278 CSC(C(=O)c1ccc(cc1)Cl)c2ccccc2 62a_100014546569_200000210301 [0,0,1,0,0,0|2,1,0]=4 20 B19R2.2278 CSC(C(=O)c1ccc(cc1)Cl)c2ccccc2 62a_200000210301_100014546569 [0,0,1,0,0,0|2,1,0]=4 21 B19R2.2278 CSC(C(=O)c1ccc(cc1)F)c2ccccc2 62a_100020642289_200000210301 [0,0,1,0,0,0|2,1,0]=4 22 B19R2.2278 CSC(C(=O)c1ccc(cc1)F)c2ccccc2 62a_200000210301_100020642289 [0,0,1,0,0,0|2,1,0]=4 23 B19R2.2278 [13CH3]OC(C(=O)c1ccc(cc1)Cl)c2ccccc2 34a_200005794345_200025704644 [0,0,1,0,0,0|2,1,0]=4 24 B19R2.2278 [13CH3]OC(C(=O)c1ccc(cc1)Cl)c2ccccc2 7a_200005794345_200025704644 [0,0,1,0,0,0|2,1,0]=4 25 B19R2.2278 [13CH3]SC(C(=O)c1ccc(cc1)Cl)c2ccccc2 62a_100014546569_200025704644 [0,0,1,0,0,0|2,1,0]=4 26 B19R2.2278 [13CH3]SC(C(=O)c1ccc(cc1)Cl)c2ccccc2 62a_200025704644_100014546569 [0,0,1,0,0,0|2,1,0]=4 27 B19R2.2278 [13CH3]SC(C(=O)c1ccc(cc1)F)c2ccccc2 62a_100020642289_200025704644 [0,0,1,0,0,0|2,1,0]=4 28 B19R2.2278 [13CH3]SC(C(=O)c1ccc(cc1)F)c2ccccc2 62a_200025704644_100020642289 [0,0,1,0,0,0|2,1,0]=4 29 B19R2.2713 CCc1ccc(cc1C(=O)Cc2ccccc2)Br 1458a_100012343961_100015291786 [0,0,1,0,0,0|1,0,1]=3 30 B19R2.2713 CCc1ccc(cc1C(=O)Cc2ccccn2)Br 1458a_100012343961_100000721315 [0,0,1,0,0,0|2,0,1]=4 31 B19R2.2713 CCc1ccc(cc1C(=O)Cc2cccnc2)Br 1458a_100012343961_100000733263 [0,0,1,0,0,0|2,0,1]=4 32 B19R2.2713 CCc1ccc(cc1C(=O)Cc2ccncc2)Br 1458a_100012343961_100000705612 [0,0,1,0,0,0|2,0,1]=4 33 B19R2.2713 CCc1ccc(cc1C(=O)Nc2ccccc2)Br 11a_100000106764_100012343961 [0,0,1,0,0,0|2,0,1]=4 34 B19R2.2713 CCc1ccc(cc1C(=O)Nc2ccccc2)Br 1626a_100000106764_100012343961 [0,0,1,0,0,0|2,0,1]=4 35 B19R2.2713 CCc1ccc(cc1C(=O)Nc2ccccc2)Br 22a_100000106764_100012343961 [0,0,1,0,0,0|2,0,1]=4 36 B19R2.2713 CCc1ccc(cc1C(=O)Nc2ccccc2)Br 527a_100000106764_100012343961 [0,0,1,0,0,0|2,0,1]=4 37 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccc2)Br 1458a_100000188853_100015291786 [0,0,1,0,0,0|2,0,0]=3 38 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccc2)C 1458a_100000204667_100015291786 [0,0,1,0,0,0|3,0,0]=4 39 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccc2)Cl 1458a_100000211409_100015291786 [0,0,1,0,0,0|2,1,0]=4 40 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccc2)F 1458a_100000735445_100015291786 [0,0,1,0,0,0|2,1,0]=4 41 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccc2)I 1458a_100000230898_100015291786 [0,0,1,0,0,0|2,1,0]=4 42 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccc2)O 1458a_200000100057_100015291786 [0,0,1,0,0,0|3,0,0]=4 43 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccccn2)Br 1458a_100000188853_100000721315 [0,0,1,0,0,0|3,0,0]=4 44 B19R2.2713 COc1ccc(cc1C(=O)Cc2cccnc2)Br 1458a_100000188853_100000733263 [0,0,1,0,0,0|3,0,0]=4 45 B19R2.2713 COc1ccc(cc1C(=O)Cc2ccncc2)Br 1458a_100000188853_100000705612 [0,0,1,0,0,0|3,0,0]=4 46 B19R2.2713 COc1ccc(cc1C(=O)Nc2ccccc2)Br 11a_100000106764_100000188853 [0,0,1,0,0,0|3,0,0]=4 47 B19R2.2713 COc1ccc(cc1C(=O)Nc2ccccc2)Br 1626a_100000106764_100000188853 [0,0,1,0,0,0|3,0,0]=4 48 B19R2.2713 COc1ccc(cc1C(=O)Nc2ccccc2)Br 22a_100000106764_100000188853 [0,0,1,0,0,0|3,0,0]=4 49 B19R2.2713 COc1ccc(cc1C(=O)Nc2ccccc2)Br 527a_100000106764_100000188853 [0,0,1,0,0,0|3,0,0]=4 50 B19R2.2713 N#Cc1ccc(cc1C(=O)Cc2ccccc2)F 1458a_100011217471_100015291786 [0,0,1,0,0,0|1,1,1]=4 51 B19R2.2816 CCc1cc(ccc1C(=O)Cc2ccccc2)Br 1458a_200012349896_100015291786 [0,0,1,0,0,0|1,0,1]=3 52 B19R2.2816 CCc1cc(ccc1C(=O)Cc2ccccn2)Br 1458a_200012349896_100000721315 [0,0,1,0,0,0|2,0,1]=4 53 B19R2.2816 CCc1cc(ccc1C(=O)Cc2cccnc2)Br 1458a_200012349896_100000733263 [0,0,1,0,0,0|2,0,1]=4 54 B19R2.2816 CCc1cc(ccc1C(=O)Cc2ccncc2)Br 1458a_200012349896_100000705612 [0,0,1,0,0,0|2,0,1]=4 55 B19R2.2816 CCc1cc(ccc1C(=O)Nc2ccccc2)Br 11a_100000106764_200012349896 [0,0,1,0,0,0|2,0,1]=4 56 B19R2.2816 CCc1cc(ccc1C(=O)Nc2ccccc2)Br 1626a_100000106764_200012349896 [0,0,1,0,0,0|2,0,1]=4 57 B19R2.2816 CCc1cc(ccc1C(=O)Nc2ccccc2)Br 22a_100000106764_200012349896 [0,0,1,0,0,0|2,0,1]=4 58 B19R2.2816 CCc1cc(ccc1C(=O)Nc2ccccc2)Br 527a_100000106764_200012349896 [0,0,1,0,0,0|2,0,1]=4 59 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)Br 1458a_100000748230_100015291786 [0,0,1,0,0,0|2,0,0]=3 60 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)C 1458a_100000217210_100015291786 [0,0,1,0,0,0|3,0,0]=4 61 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)Cl 1458a_100000217211_100015291786 [0,0,1,0,0,0|2,1,0]=4 62 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)F 1458a_100000239970_100015291786 [0,0,1,0,0,0|2,1,0]=4 63 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)I 1458a_100012353712_100015291786 [0,0,1,0,0,0|2,1,0]=4 64 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccn2)Br 1458a_100000748230_100000721315 [0,0,1,0,0,0|3,0,0]=4 65 B19R2.2816 COc1cc(ccc1C(=O)Cc2cccnc2)Br 1458a_100000748230_100000733263 [0,0,1,0,0,0|3,0,0]=4 66 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccncc2)Br 1458a_100000748230_100000705612 [0,0,1,0,0,0|3,0,0]=4 67 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 11a_100000106764_100000748230 [0,0,1,0,0,0|3,0,0]=4 68 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 1626a_100000106764_100000748230 [0,0,1,0,0,0|3,0,0]=4 69 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 22a_100000106764_100000748230 [0,0,1,0,0,0|3,0,0]=4 70 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 527a_100000106764_100000748230 [0,0,1,0,0,0|3,0,0]=4 71 B19R2.2816 Cc1ccc(c(c1)C#N)C(=O)Cc2ccccc2 1458a_200012184421_100015291786 [0,0,1,0,0,0|2,0,1]=4 72 B19R2.2816 N#Cc1cc(ccc1C(=O)Cc2ccccc2)Br 1458a_100012349539_100015291786 [0,0,1,0,0,0|1,0,1]=3 73 B19R2.2816 N#Cc1cc(ccc1C(=O)Cc2ccccc2)F 1458a_100012002388_100015291786 [0,0,1,0,0,0|1,1,1]=4 74 B19R2.2816 N#Cc1cc(ccc1C(=O)Cc2ccccn2)Br 1458a_100012349539_100000721315 [0,0,1,0,0,0|2,0,1]=4 75 B19R2.2816 N#Cc1cc(ccc1C(=O)Cc2cccnc2)Br 1458a_100012349539_100000733263 [0,0,1,0,0,0|2,0,1]=4 76 B19R2.2816 N#Cc1cc(ccc1C(=O)Cc2ccncc2)Br 1458a_100012349539_100000705612 [0,0,1,0,0,0|2,0,1]=4 77 B19R2.2816 N#Cc1cc(ccc1C(=O)Nc2ccccc2)Br 11a_100000106764_100012349539 [0,0,1,0,0,0|2,0,1]=4 78 B19R2.2816 N#Cc1cc(ccc1C(=O)Nc2ccccc2)Br 22a_100000106764_100012349539 [0,0,1,0,0,0|2,0,1]=4 79 B19R2.2816 O=C(Cc1ccccc1)c2ccc(cc2CO)Br 1458a_100010253900_100015291786 [0,0,1,0,0,0|0,0,2]=3 80 B19R2.2816 O=C(Cc1ccccc1)c2ccc(cc2CO)F 1458a_100013035055_100015291786 [0,0,1,0,0,0|0,1,2]=4 81 B19R2.2816 O=C(Cc1ccccn1)c2ccc(cc2CO)Br 1458a_100010253900_100000721315 [0,0,1,0,0,0|1,0,2]=4 82 B19R2.2816 O=C(Cc1cccnc1)c2ccc(cc2CO)Br 1458a_100010253900_100000733263 [0,0,1,0,0,0|1,0,2]=4 83 B19R2.2816 O=C(Cc1ccncc1)c2ccc(cc2CO)Br 1458a_100010253900_100000705612 [0,0,1,0,0,0|1,0,2]=4 84 B19R2.2816 O=C(Nc1ccccc1)c2ccc(cc2CO)Br 22a_100000106764_100010253900 [0,0,1,0,0,0|1,0,2]=4 85 B21R3.436787 O=C1c2ccc(cc2C(=O)N1Cc3ccccc3)O 271570a_203496583355_100009812378 [0,0,0,0,0,1|2,0,0]=3 86 B21R3.7155661 Cc1c(c(=O)oc2c1ccc(c2)O)c3ccccc3 271570a_100011218836_200009996780 [0,0,0,0,0,1|2,0,1]=4 87 B18R2.2315 CNC(C(=O)c1ccccc1)c2ccccc2 2230a_106832991635_100000211254 [1,0,1,0,0,0|2,0,0]=4 88 B18R2.2315 CNC(C(=O)c1ccccc1)c2ccccc2 7a_106832991635_100000211254 [1,0,1,0,0,0|2,0,0]=4 89 B18R2.2315 COC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_200000210301 [1,0,1,0,0,0|2,0,0]=4 90 B18R2.2315 CSC(C(=O)c1ccccc1)c2ccccc2 62a_100000211254_200000210301 [1,0,1,0,0,0|2,0,0]=4 91 B18R2.2315 CSC(C(=O)c1ccccc1)c2ccccc2 62a_200000210301_100000211254 [1,0,1,0,0,0|2,0,0]=4 92 B18R2.2315 [13CH3]OC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_200025704644 [1,0,1,0,0,0|2,0,0]=4 93 B18R2.2315 [13CH3]SC(C(=O)c1ccccc1)c2ccccc2 62a_100000211254_200025704644 [1,0,1,0,0,0|2,0,0]=4 94 B18R2.2315 [13CH3]SC(C(=O)c1ccccc1)c2ccccc2 62a_200025704644_100000211254 [1,0,1,0,0,0|2,0,0]=4 95 B18R2.6461 CC(C(=O)c1cccc(c1)Br)c2ccccc2 1458a_100000210664_100000230085 [1,0,1,0,0,0|0,0,1]=3 96 B18R2.6461 CC(C(=O)c1cccc(c1)Cl)c2ccccc2 1458a_100000210390_100000230085 [1,0,1,0,0,0|0,1,1]=4 97 B18R2.6461 CC(C(=O)c1cccc(c1)F)c2ccccc2 1458a_100000210950_100000230085 [1,0,1,0,0,0|0,1,1]=4 98 B18R2.6461 CC(C(=O)c1cccc(c1)I)c2ccccc2 1458a_100000184098_100000230085 [1,0,1,0,0,0|0,1,1]=4 99 B18R2.6461 CC(C(=O)c1cccc(c1)O)c2ccccc2 1458a_100000183914_100000230085 [1,0,1,0,0,0|1,0,1]=4 100 B18R2.6461 CN(C(=O)c1cccc(c1)Br)c2ccccc2 11a_100000210012_100000210664 [1,0,1,0,0,0|1,0,1]=4 101 B18R2.6461 CN(C(=O)c1cccc(c1)Br)c2ccccc2 1626a_100000210012_100000210664 [1,0,1,0,0,0|1,0,1]=4 102 B18R2.6461 CN(C(=O)c1cccc(c1)Br)c2ccccc2 22a_100000210012_100000210664 [1,0,1,0,0,0|1,0,1]=4 103 B18R2.6461 Cc1cccc(c1)C(=O)C(C)c2ccccc2 1458a_100000189346_100000230085 [1,0,1,0,0,0|1,0,1]=4 104 B18R2.6461 O=C(C(=O)c1cccc(c1)O)c2ccccc2 271570a_203496583355_100160495691 [1,0,1,0,0,0|1,0,1]=4 105 B18R2.7815 C=CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000691529_200000085779 [1,0,1,0,0,0|2,0,0]=4 106 B18R2.7815 C=CC(Sc1cccc(c1)Br)c2ccccc2 62a_200000085779_100000691529 [1,0,1,0,0,0|2,0,0]=4 107 B18R2.250 CC(C(=O)c1ccc(cc1)Br)c2ccccc2 1458a_100000185839_100000230085 [1,0,1,0,0,0|0,0,1]=3 108 B18R2.250 CC(C(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000210187_100000230085 [1,0,1,0,0,0|0,1,1]=4 109 B18R2.250 CC(C(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000187176_100000230085 [1,0,1,0,0,0|0,1,1]=4 110 B18R2.250 CC(C(=O)c1ccc(cc1)I)c2ccccc2 1458a_100000187904_100000230085 [1,0,1,0,0,0|0,1,1]=4 111 B18R2.250 CC(C(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000212099_100000230085 [1,0,1,0,0,0|1,0,1]=4 112 B18R2.250 CN(C(=O)c1ccc(cc1)Br)c2ccccc2 11a_100000210012_100000185839 [1,0,1,0,0,0|1,0,1]=4 113 B18R2.250 CN(C(=O)c1ccc(cc1)Br)c2ccccc2 1626a_100000210012_100000185839 [1,0,1,0,0,0|1,0,1]=4 114 B18R2.250 CN(C(=O)c1ccc(cc1)Br)c2ccccc2 22a_100000210012_100000185839 [1,0,1,0,0,0|1,0,1]=4 115 B18R2.250 Cc1ccc(cc1)C(=O)C(C)c2ccccc2 1458a_100000188618_100000230085 [1,0,1,0,0,0|1,0,1]=4 116 B18R2.250 O=C(C(=O)c1ccc(cc1)O)c2ccccc2 271570a_203496583355_200103168698 [1,0,1,0,0,0|1,0,1]=4 117 B18R2.7801 C=CC(Nc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_200000085779 [1,0,1,0,0,0|2,0,0]=4 118 B18R2.7801 C=CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000752885_200000085779 [1,0,1,0,0,0|2,0,0]=4 119 B18R2.7801 C=CC(Sc1ccc(cc1)Br)c2ccccc2 62a_200000085779_100000752885 [1,0,1,0,0,0|2,0,0]=4 120 B18R2.860 Cc1ccc(c(c1)C=Cc2ccccc2)C=O 271570a_100102527694_100000692596 [1,0,1,0,0,0|1,0,1]=4 121 B18R2.860 Cc1ccc(c(c1)SCc2ccccc2)C=O 62a_100000211182_100011935181 [1,0,1,0,0,0|2,0,0]=4 122 B18R2.860 Cc1ccc(c(c1)SCc2ccccc2)C=O 62a_100011935181_100015291786 [1,0,1,0,0,0|2,0,0]=4 123 B18R2.860 O=Cc1ccc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100010146562 [1,0,1,0,0,0|0,0,2]=4 124 B18R2.860 O=Cc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100010146562 [1,0,1,0,0,0|0,0,1]=3 125 B18R2.860 O=Cc1ccc(cc1C=Cc2ccccc2)F 271570a_100102527694_100000752949 [1,0,1,0,0,0|0,1,1]=4 126 B18R2.860 O=Cc1ccc(cc1C=Cc2ccccc2)O 271570a_100102527694_100011236494 [1,0,1,0,0,0|1,0,1]=4 127 B18R2.860 O=Cc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100010146562 [1,0,1,0,0,0|1,0,1]=4 128 B18R2.860 O=Cc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100010146562 [1,0,1,0,0,0|1,0,0]=3 129 B18R2.860 O=Cc1ccc(cc1SCc2ccccc2)Br 62a_100010146562_100015291786 [1,0,1,0,0,0|1,0,0]=3 130 B18R2.860 O=Cc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100000752949 [1,0,1,0,0,0|1,1,0]=4 131 B18R2.860 O=Cc1ccc(cc1SCc2ccccc2)F 62a_100000752949_100015291786 [1,0,1,0,0,0|1,1,0]=4 132 B18R2.860 O=Cc1ccc(cc1SCc2ccccc2)O 62a_100000211182_100011236494 [1,0,1,0,0,0|2,0,0]=4 133 B18R2.860 O=Cc1ccc(cc1SCc2ccccc2)O 62a_100011236494_100015291786 [1,0,1,0,0,0|2,0,0]=4 134 B18R2.860 O=Cc1ccc(cc1SCc2ccccn2)Br 62a_100000721315_100010146562 [1,0,1,0,0,0|2,0,0]=4 135 B18R2.860 O=Cc1ccc(cc1SCc2ccccn2)Br 62a_100010146562_100000721315 [1,0,1,0,0,0|2,0,0]=4 136 B18R2.860 O=Cc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100010146562 [1,0,1,0,0,0|2,0,0]=4 137 B18R2.860 O=Cc1ccc(cc1SCc2cccnc2)Br 62a_100010146562_100000741622 [1,0,1,0,0,0|2,0,0]=4 138 B18R2.860 O=Cc1ccc(cc1SCc2ccncc2)Br 62a_100010146562_100015193705 [1,0,1,0,0,0|2,0,0]=4 139 B18R2.860 O=Cc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100010146562 [1,0,1,0,0,0|2,0,0]=4 140 B18R2.3047 C#Cc1ccccc1C(=O)Cc2ccccc2 1458a_100011243808_100015291786 [1,0,1,0,0,0|1,0,1]=4 141 B18R2.3047 C=Cc1ccccc1C(=O)Cc2ccccc2 1458a_100011830265_100015291786 [1,0,1,0,0,0|1,0,0]=3 142 B18R2.3047 C=Cc1ccccc1C(=O)Cc2ccccn2 1458a_100011830265_100000721315 [1,0,1,0,0,0|2,0,0]=4 143 B18R2.3047 C=Cc1ccccc1C(=O)Cc2cccnc2 1458a_100011830265_100000733263 [1,0,1,0,0,0|2,0,0]=4 144 B18R2.3047 C=Cc1ccccc1C(=O)Cc2ccncc2 1458a_100011830265_100000705612 [1,0,1,0,0,0|2,0,0]=4 145 B18R2.3047 C=Cc1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100011830265 [1,0,1,0,0,0|2,0,0]=4 146 B18R2.3047 C=Cc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100011830265 [1,0,1,0,0,0|2,0,0]=4 147 B18R2.3047 CCc1ccccc1C(=O)Cc2ccccc2 1458a_100000689120_100015291786 [1,0,1,0,0,0|1,0,1]=4 148 B18R2.3047 COc1ccccc1C(=O)Cc2ccccc2 1458a_100000185835_100015291786 [1,0,1,0,0,0|2,0,0]=4 149 B18R2.3047 COc1ccccc1C(=O)Cc2ccccc2 7a_100000040333_200000210301 [1,0,1,0,0,0|2,0,0]=4 150 B18R2.3047 CSc1ccccc1C(=O)Cc2ccccc2 1458a_100000183967_100015291786 [1,0,1,0,0,0|2,0,0]=4 151 B18R2.3047 N#Cc1ccccc1C(=O)Cc2ccccc2 1458a_100000742908_100015291786 [1,0,1,0,0,0|1,0,1]=4 152 B18R2.3047 O=C(Cc1ccccc1)c2ccccc2CO 1458a_100011301526_100015291786 [1,0,1,0,0,0|0,0,2]=4 153 B18R2.3047 O=Ic1ccccc1C(=O)Cc2ccccc2 1458a_100000032414_100015291786 [1,0,1,0,0,0|1,0,0]=3 154 B18R2.3047 O=Ic1ccccc1C(=O)Cc2ccccn2 1458a_100000032414_100000721315 [1,0,1,0,0,0|2,0,0]=4 155 B18R2.3047 O=Ic1ccccc1C(=O)Cc2cccnc2 1458a_100000032414_100000733263 [1,0,1,0,0,0|2,0,0]=4 156 B18R2.3047 O=Ic1ccccc1C(=O)Cc2ccncc2 1458a_100000032414_100000705612 [1,0,1,0,0,0|2,0,0]=4 157 B18R2.3047 O=Ic1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100000032414 [1,0,1,0,0,0|2,0,0]=4 158 B18R2.3047 O=Ic1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000032414 [1,0,1,0,0,0|2,0,0]=4 159 B18R2.3047 O=Ic1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000032414 [1,0,1,0,0,0|2,0,0]=4 160 B18R2.3047 [13CH3]Oc1ccccc1C(=O)Cc2ccccc2 7a_100000040333_200025704644 [1,0,1,0,0,0|2,0,0]=4 161 B18R2.6536 Cc1ccc(c(c1)C(=O)Cc2ccccc2)Br 1458a_100000689033_100015291786 [1,0,1,0,0,0|2,0,0]=4 162 B18R2.6536 Cc1ccc(c(c1)C(=O)Cc2ccccc2)C 1458a_100000195421_100015291786 [1,0,1,0,0,0|1,0,1]=4 163 B18R2.6536 Cc1ccc(c(c1)C(=O)Cc2ccccc2)Cl 1458a_100011290873_100015291786 [1,0,1,0,0,0|2,0,0]=4 164 B18R2.6536 Cc1ccc(c(c1)C(=O)Cc2ccccc2)F 1458a_100000749327_100015291786 [1,0,1,0,0,0|2,0,0]=4 165 B18R2.6536 Cc1ccc(c(c1)C(=O)Cc2ccccc2)I 1458a_100000057929_100015291786 [1,0,1,0,0,0|2,0,0]=4 166 B18R2.6536 Cc1ccc(c(c1)C(=O)Cc2ccccc2)O 1458a_100000229998_100015291786 [1,0,1,0,0,0|1,0,1]=4 167 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccccc2)Br 1458a_100000759961_100015291786 [1,0,1,0,0,0|0,0,1]=3 168 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccccc2)Cl 1458a_100000692595_100015291786 [1,0,1,0,0,0|0,1,1]=4 169 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccccc2)F 1458a_100000240043_100015291786 [1,0,1,0,0,0|0,1,1]=4 170 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccccc2)I 1458a_100000688012_100015291786 [1,0,1,0,0,0|0,1,1]=4 171 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccccc2)O 1458a_100000687834_100015291786 [1,0,1,0,0,0|1,0,1]=4 172 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccccn2)Br 1458a_100000759961_100000721315 [1,0,1,0,0,0|1,0,1]=4 173 B18R2.6536 Cc1ccc(cc1C(=O)Cc2cccnc2)Br 1458a_100000759961_100000733263 [1,0,1,0,0,0|1,0,1]=4 174 B18R2.6536 Cc1ccc(cc1C(=O)Cc2ccncc2)Br 1458a_100000759961_100000705612 [1,0,1,0,0,0|1,0,1]=4 175 B18R2.6536 Cc1ccc(cc1C(=O)Nc2ccccc2)Br 11a_100000106764_100000759961 [1,0,1,0,0,0|1,0,1]=4 176 B18R2.6536 Cc1ccc(cc1C(=O)Nc2ccccc2)Br 1626a_100000106764_100000759961 [1,0,1,0,0,0|1,0,1]=4 177 B18R2.6536 Cc1ccc(cc1C(=O)Nc2ccccc2)Br 22a_100000106764_100000759961 [1,0,1,0,0,0|1,0,1]=4 178 B18R2.6536 Cc1ccc(cc1C(=O)Nc2ccccc2)Br 527a_100000106764_100000759961 [1,0,1,0,0,0|1,0,1]=4 179 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Br)Br 1458a_100000690610_100015291786 [1,0,1,0,0,0|1,0,0]=3 180 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Br)Cl 1458a_100000736951_100015291786 [1,0,1,0,0,0|1,1,0]=4 181 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Br)F 1458a_100000212315_100015291786 [1,0,1,0,0,0|1,1,0]=4 182 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Br)I 1458a_100000698340_100015291786 [1,0,1,0,0,0|1,1,0]=4 183 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Br)O 1458a_100012352043_100015291786 [1,0,1,0,0,0|2,0,0]=4 184 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Cl)Br 1458a_100000211212_100015291786 [1,0,1,0,0,0|1,0,0]=3 185 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Cl)Cl 1458a_100000210642_100015291786 [1,0,1,0,0,0|1,1,0]=4 186 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Cl)F 1458a_100011219680_100015291786 [1,0,1,0,0,0|1,1,0]=4 187 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Cl)I 1458a_100000688013_100015291786 [1,0,1,0,0,0|1,1,0]=4 188 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2Cl)O 1458a_100000719527_100015291786 [1,0,1,0,0,0|2,0,0]=4 189 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2F)Br 1458a_100000212322_100015291786 [1,0,1,0,0,0|1,0,0]=3 190 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2F)Cl 1458a_100000214954_100015291786 [1,0,1,0,0,0|1,1,0]=4 191 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2F)F 1458a_100000198512_100015291786 [1,0,1,0,0,0|1,1,0]=4 192 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2F)I 1458a_100000688014_100015291786 [1,0,1,0,0,0|1,1,0]=4 193 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2F)O 1458a_100000037260_100015291786 [1,0,1,0,0,0|2,0,0]=4 194 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2I)Br 1458a_100000183945_100015291786 [1,0,1,0,0,0|1,0,0]=3 195 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2I)Cl 1458a_100000739379_100015291786 [1,0,1,0,0,0|1,1,0]=4 196 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2I)F 1458a_100000748905_100015291786 [1,0,1,0,0,0|1,1,0]=4 197 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2I)I 1458a_100000750460_100015291786 [1,0,1,0,0,0|1,1,0]=4 198 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2I)O 1458a_200009995701_100015291786 [1,0,1,0,0,0|2,0,0]=4 199 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2O)Br 1458a_100000212140_100015291786 [1,0,1,0,0,0|0,0,1]=3 200 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2O)Cl 1458a_100000212143_100015291786 [1,0,1,0,0,0|0,1,1]=4 201 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2O)F 1458a_100000742286_100015291786 [1,0,1,0,0,0|0,1,1]=4 202 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2O)I 1458a_100000212111_100015291786 [1,0,1,0,0,0|0,1,1]=4 203 B18R2.6536 O=C(Cc1ccccc1)c2cc(ccc2O)O 1458a_100000758025_100015291786 [1,0,1,0,0,0|1,0,1]=4 204 B18R2.6536 O=C(Cc1ccccn1)c2cc(ccc2Br)Br 1458a_100000690610_100000721315 [1,0,1,0,0,0|2,0,0]=4 205 B18R2.6536 O=C(Cc1ccccn1)c2cc(ccc2Cl)Br 1458a_100000211212_100000721315 [1,0,1,0,0,0|2,0,0]=4 206 B18R2.6536 O=C(Cc1ccccn1)c2cc(ccc2F)Br 1458a_100000212322_100000721315 [1,0,1,0,0,0|2,0,0]=4 207 B18R2.6536 O=C(Cc1ccccn1)c2cc(ccc2I)Br 1458a_100000183945_100000721315 [1,0,1,0,0,0|2,0,0]=4 208 B18R2.6536 O=C(Cc1ccccn1)c2cc(ccc2O)Br 1458a_100000212140_100000721315 [1,0,1,0,0,0|1,0,1]=4 209 B18R2.6536 O=C(Cc1cccnc1)c2cc(ccc2Br)Br 1458a_100000690610_100000733263 [1,0,1,0,0,0|2,0,0]=4 210 B18R2.6536 O=C(Cc1cccnc1)c2cc(ccc2Cl)Br 1458a_100000211212_100000733263 [1,0,1,0,0,0|2,0,0]=4 211 B18R2.6536 O=C(Cc1cccnc1)c2cc(ccc2F)Br 1458a_100000212322_100000733263 [1,0,1,0,0,0|2,0,0]=4 212 B18R2.6536 O=C(Cc1cccnc1)c2cc(ccc2I)Br 1458a_100000183945_100000733263 [1,0,1,0,0,0|2,0,0]=4 213 B18R2.6536 O=C(Cc1cccnc1)c2cc(ccc2O)Br 1458a_100000212140_100000733263 [1,0,1,0,0,0|1,0,1]=4 214 B18R2.6536 O=C(Cc1ccncc1)c2cc(ccc2Br)Br 1458a_100000690610_100000705612 [1,0,1,0,0,0|2,0,0]=4 215 B18R2.6536 O=C(Cc1ccncc1)c2cc(ccc2Cl)Br 1458a_100000211212_100000705612 [1,0,1,0,0,0|2,0,0]=4 216 B18R2.6536 O=C(Cc1ccncc1)c2cc(ccc2F)Br 1458a_100000212322_100000705612 [1,0,1,0,0,0|2,0,0]=4 217 B18R2.6536 O=C(Cc1ccncc1)c2cc(ccc2I)Br 1458a_100000183945_100000705612 [1,0,1,0,0,0|2,0,0]=4 218 B18R2.6536 O=C(Cc1ccncc1)c2cc(ccc2O)Br 1458a_100000212140_100000705612 [1,0,1,0,0,0|1,0,1]=4 219 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Br)Br 11a_100000106764_100000690610 [1,0,1,0,0,0|2,0,0]=4 220 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Br)Br 1626a_100000106764_100000690610 [1,0,1,0,0,0|2,0,0]=4 221 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Br)Br 22a_100000106764_100000690610 [1,0,1,0,0,0|2,0,0]=4 222 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Br)Br 527a_100000106764_100000690610 [1,0,1,0,0,0|2,0,0]=4 223 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Cl)Br 11a_100000106764_100000211212 [1,0,1,0,0,0|2,0,0]=4 224 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Cl)Br 1626a_100000106764_100000211212 [1,0,1,0,0,0|2,0,0]=4 225 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Cl)Br 22a_100000106764_100000211212 [1,0,1,0,0,0|2,0,0]=4 226 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2Cl)Br 527a_100000106764_100000211212 [1,0,1,0,0,0|2,0,0]=4 227 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2F)Br 11a_100000106764_100000212322 [1,0,1,0,0,0|2,0,0]=4 228 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2F)Br 1626a_100000106764_100000212322 [1,0,1,0,0,0|2,0,0]=4 229 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2F)Br 22a_100000106764_100000212322 [1,0,1,0,0,0|2,0,0]=4 230 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2F)Br 527a_100000106764_100000212322 [1,0,1,0,0,0|2,0,0]=4 231 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2I)Br 11a_100000106764_100000183945 [1,0,1,0,0,0|2,0,0]=4 232 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2I)Br 1626a_100000106764_100000183945 [1,0,1,0,0,0|2,0,0]=4 233 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2I)Br 22a_100000106764_100000183945 [1,0,1,0,0,0|2,0,0]=4 234 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2O)Br 1626a_100000106764_100000212140 [1,0,1,0,0,0|1,0,1]=4 235 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2O)Br 22a_100000106764_100000212140 [1,0,1,0,0,0|1,0,1]=4 236 B18R2.6536 O=C(Nc1ccccc1)c2cc(ccc2O)Br 527a_100000106764_100000212140 [1,0,1,0,0,0|1,0,1]=4 237 B18R2.1046 Cc1ccc(c(c1)C=O)C=Cc2ccccc2 271570a_100102527694_100011551863 [1,0,1,0,0,0|1,0,1]=4 238 B18R2.1046 Cc1ccc(c(c1)C=O)SCc2ccccc2 62a_100000211182_100011551863 [1,0,1,0,0,0|2,0,0]=4 239 B18R2.1046 Cc1ccc(c(c1)C=O)SCc2ccccc2 62a_100011551863_100015291786 [1,0,1,0,0,0|2,0,0]=4 240 B18R2.1046 O=Cc1cc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100010185651 [1,0,1,0,0,0|0,0,2]=4 241 B18R2.1046 O=Cc1cc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100010185651 [1,0,1,0,0,0|0,0,1]=3 242 B18R2.1046 O=Cc1cc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100010254386 [1,0,1,0,0,0|0,1,1]=4 243 B18R2.1046 O=Cc1cc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100011218309 [1,0,1,0,0,0|0,1,1]=4 244 B18R2.1046 O=Cc1cc(ccc1C=Cc2ccccc2)O 271570a_100102527694_100000690577 [1,0,1,0,0,0|1,0,1]=4 245 B18R2.1046 O=Cc1cc(ccc1C=Cc2cccnc2)Br 271570a_100102525586_100010185651 [1,0,1,0,0,0|1,0,1]=4 246 B18R2.1046 O=Cc1cc(ccc1OCc2ccccc2)O 271570a_203496583355_100000151859 [1,0,1,0,0,0|2,0,0]=4 247 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100010185651 [1,0,1,0,0,0|1,0,0]=3 248 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)Br 62a_100010185651_100015291786 [1,0,1,0,0,0|1,0,0]=3 249 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100010254386 [1,0,1,0,0,0|1,1,0]=4 250 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)Cl 62a_100010254386_100015291786 [1,0,1,0,0,0|1,1,0]=4 251 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100011218309 [1,0,1,0,0,0|1,1,0]=4 252 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)F 62a_100011218309_100015291786 [1,0,1,0,0,0|1,1,0]=4 253 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)O 62a_100000211182_100000690577 [1,0,1,0,0,0|2,0,0]=4 254 B18R2.1046 O=Cc1cc(ccc1SCc2ccccc2)O 62a_100000690577_100015291786 [1,0,1,0,0,0|2,0,0]=4 255 B18R2.1046 O=Cc1cc(ccc1SCc2ccccn2)Br 62a_100000721315_100010185651 [1,0,1,0,0,0|2,0,0]=4 256 B18R2.1046 O=Cc1cc(ccc1SCc2ccccn2)Br 62a_100010185651_100000721315 [1,0,1,0,0,0|2,0,0]=4 257 B18R2.1046 O=Cc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100010185651 [1,0,1,0,0,0|2,0,0]=4 258 B18R2.1046 O=Cc1cc(ccc1SCc2cccnc2)Br 62a_100010185651_100000741622 [1,0,1,0,0,0|2,0,0]=4 259 B18R2.1046 O=Cc1cc(ccc1SCc2ccncc2)Br 62a_100010185651_100015193705 [1,0,1,0,0,0|2,0,0]=4 260 B18R2.1046 O=Cc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100010185651 [1,0,1,0,0,0|2,0,0]=4 261 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccccc2)Br 1458a_100000741311_100015291786 [1,0,1,0,0,0|0,0,1]=3 262 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccccc2)Cl 1458a_100000688705_100015291786 [1,0,1,0,0,0|0,1,1]=4 263 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccccc2)F 1458a_100000686989_100015291786 [1,0,1,0,0,0|0,1,1]=4 264 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccccc2)I 1458a_100010189873_100015291786 [1,0,1,0,0,0|0,1,1]=4 265 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccccc2)O 1458a_100000692822_100015291786 [1,0,1,0,0,0|1,0,1]=4 266 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccccn2)Br 1458a_100000741311_100000721315 [1,0,1,0,0,0|1,0,1]=4 267 B18R2.6543 Cc1cc(ccc1C(=O)Cc2cccnc2)Br 1458a_100000741311_100000733263 [1,0,1,0,0,0|1,0,1]=4 268 B18R2.6543 Cc1cc(ccc1C(=O)Cc2ccncc2)Br 1458a_100000741311_100000705612 [1,0,1,0,0,0|1,0,1]=4 269 B18R2.6543 Cc1cc(ccc1C(=O)Nc2ccccc2)Br 11a_100000106764_100000741311 [1,0,1,0,0,0|1,0,1]=4 270 B18R2.6543 Cc1cc(ccc1C(=O)Nc2ccccc2)Br 1626a_100000106764_100000741311 [1,0,1,0,0,0|1,0,1]=4 271 B18R2.6543 Cc1cc(ccc1C(=O)Nc2ccccc2)Br 22a_100000106764_100000741311 [1,0,1,0,0,0|1,0,1]=4 272 B18R2.6543 Cc1cc(ccc1C(=O)Nc2ccccc2)Br 527a_100000106764_100000741311 [1,0,1,0,0,0|1,0,1]=4 273 B18R2.6543 Cc1ccc(c(c1)Br)C(=O)Cc2ccccc2 1458a_100000685072_100015291786 [1,0,1,0,0,0|2,0,0]=4 274 B18R2.6543 Cc1ccc(c(c1)C)C(=O)Cc2ccccc2 1458a_100000211164_100015291786 [1,0,1,0,0,0|1,0,1]=4 275 B18R2.6543 Cc1ccc(c(c1)Cl)C(=O)Cc2ccccc2 1458a_100000766932_100015291786 [1,0,1,0,0,0|2,0,0]=4 276 B18R2.6543 Cc1ccc(c(c1)F)C(=O)Cc2ccccc2 1458a_100000766033_100015291786 [1,0,1,0,0,0|2,0,0]=4 277 B18R2.6543 Cc1ccc(c(c1)I)C(=O)Cc2ccccc2 1458a_100009999607_100015291786 [1,0,1,0,0,0|2,0,0]=4 278 B18R2.6543 Cc1ccc(c(c1)O)C(=O)Cc2ccccc2 1458a_100000212137_100015291786 [1,0,1,0,0,0|1,0,1]=4 279 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Br)Br 1458a_100000762965_100015291786 [1,0,1,0,0,0|1,0,0]=3 280 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Br)Cl 1458a_100000766353_100015291786 [1,0,1,0,0,0|1,1,0]=4 281 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Br)F 1458a_100000212304_100015291786 [1,0,1,0,0,0|1,1,0]=4 282 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Br)I 1458a_100012360512_100015291786 [1,0,1,0,0,0|1,1,0]=4 283 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Br)O 1458a_100012344906_100015291786 [1,0,1,0,0,0|2,0,0]=4 284 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Cl)Br 1458a_100000741628_100015291786 [1,0,1,0,0,0|1,0,0]=3 285 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Cl)Cl 1458a_100000185840_100015291786 [1,0,1,0,0,0|1,1,0]=4 286 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Cl)F 1458a_100000211397_100015291786 [1,0,1,0,0,0|1,1,0]=4 287 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Cl)I 1458a_100000751301_100015291786 [1,0,1,0,0,0|1,1,0]=4 288 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2Cl)O 1458a_100000702456_100015291786 [1,0,1,0,0,0|2,0,0]=4 289 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2F)Br 1458a_100000214689_100015291786 [1,0,1,0,0,0|1,0,0]=3 290 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2F)Cl 1458a_100000212326_100015291786 [1,0,1,0,0,0|1,1,0]=4 291 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2F)F 1458a_100000211022_100015291786 [1,0,1,0,0,0|1,1,0]=4 292 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2F)I 1458a_100000037189_100015291786 [1,0,1,0,0,0|1,1,0]=4 293 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2F)O 1458a_100000689029_100015291786 [1,0,1,0,0,0|2,0,0]=4 294 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2I)Br 1458a_100000751167_100015291786 [1,0,1,0,0,0|1,0,0]=3 295 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2I)Cl 1458a_100000739380_100015291786 [1,0,1,0,0,0|1,1,0]=4 296 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2I)F 1458a_100000739341_100015291786 [1,0,1,0,0,0|1,1,0]=4 297 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2O)Br 1458a_100000744433_100015291786 [1,0,1,0,0,0|0,0,1]=3 298 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2O)Cl 1458a_100000188622_100015291786 [1,0,1,0,0,0|0,1,1]=4 299 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2O)F 1458a_100000746061_100015291786 [1,0,1,0,0,0|0,1,1]=4 300 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2O)I 1458a_100000091984_100015291786 [1,0,1,0,0,0|0,1,1]=4 301 B18R2.6543 O=C(Cc1ccccc1)c2ccc(cc2O)O 1458a_100000212172_100015291786 [1,0,1,0,0,0|1,0,1]=4 302 B18R2.6543 O=C(Cc1ccccn1)c2ccc(cc2Br)Br 1458a_100000762965_100000721315 [1,0,1,0,0,0|2,0,0]=4 303 B18R2.6543 O=C(Cc1ccccn1)c2ccc(cc2Cl)Br 1458a_100000741628_100000721315 [1,0,1,0,0,0|2,0,0]=4 304 B18R2.6543 O=C(Cc1ccccn1)c2ccc(cc2F)Br 1458a_100000214689_100000721315 [1,0,1,0,0,0|2,0,0]=4 305 B18R2.6543 O=C(Cc1ccccn1)c2ccc(cc2I)Br 1458a_100000751167_100000721315 [1,0,1,0,0,0|2,0,0]=4 306 B18R2.6543 O=C(Cc1ccccn1)c2ccc(cc2O)Br 1458a_100000744433_100000721315 [1,0,1,0,0,0|1,0,1]=4 307 B18R2.6543 O=C(Cc1cccnc1)c2ccc(cc2Br)Br 1458a_100000762965_100000733263 [1,0,1,0,0,0|2,0,0]=4 308 B18R2.6543 O=C(Cc1cccnc1)c2ccc(cc2Cl)Br 1458a_100000741628_100000733263 [1,0,1,0,0,0|2,0,0]=4 309 B18R2.6543 O=C(Cc1cccnc1)c2ccc(cc2F)Br 1458a_100000214689_100000733263 [1,0,1,0,0,0|2,0,0]=4 310 B18R2.6543 O=C(Cc1cccnc1)c2ccc(cc2I)Br 1458a_100000751167_100000733263 [1,0,1,0,0,0|2,0,0]=4 311 B18R2.6543 O=C(Cc1cccnc1)c2ccc(cc2O)Br 1458a_100000744433_100000733263 [1,0,1,0,0,0|1,0,1]=4 312 B18R2.6543 O=C(Cc1ccncc1)c2ccc(cc2Br)Br 1458a_100000762965_100000705612 [1,0,1,0,0,0|2,0,0]=4 313 B18R2.6543 O=C(Cc1ccncc1)c2ccc(cc2Cl)Br 1458a_100000741628_100000705612 [1,0,1,0,0,0|2,0,0]=4 314 B18R2.6543 O=C(Cc1ccncc1)c2ccc(cc2F)Br 1458a_100000214689_100000705612 [1,0,1,0,0,0|2,0,0]=4 315 B18R2.6543 O=C(Cc1ccncc1)c2ccc(cc2I)Br 1458a_100000751167_100000705612 [1,0,1,0,0,0|2,0,0]=4 316 B18R2.6543 O=C(Cc1ccncc1)c2ccc(cc2O)Br 1458a_100000744433_100000705612 [1,0,1,0,0,0|1,0,1]=4 317 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Br)Br 11a_100000106764_100000762965 [1,0,1,0,0,0|2,0,0]=4 318 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Br)Br 1626a_100000106764_100000762965 [1,0,1,0,0,0|2,0,0]=4 319 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Br)Br 22a_100000106764_100000762965 [1,0,1,0,0,0|2,0,0]=4 320 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Br)Br 527a_100000106764_100000762965 [1,0,1,0,0,0|2,0,0]=4 321 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Cl)Br 11a_100000106764_100000741628 [1,0,1,0,0,0|2,0,0]=4 322 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Cl)Br 1626a_100000106764_100000741628 [1,0,1,0,0,0|2,0,0]=4 323 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Cl)Br 22a_100000106764_100000741628 [1,0,1,0,0,0|2,0,0]=4 324 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2Cl)Br 527a_100000106764_100000741628 [1,0,1,0,0,0|2,0,0]=4 325 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2F)Br 11a_100000106764_100000214689 [1,0,1,0,0,0|2,0,0]=4 326 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2F)Br 1626a_100000106764_100000214689 [1,0,1,0,0,0|2,0,0]=4 327 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2F)Br 22a_100000106764_100000214689 [1,0,1,0,0,0|2,0,0]=4 328 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2F)Br 527a_100000106764_100000214689 [1,0,1,0,0,0|2,0,0]=4 329 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2I)Br 11a_100000106764_100000751167 [1,0,1,0,0,0|2,0,0]=4 330 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2I)Br 1626a_100000106764_100000751167 [1,0,1,0,0,0|2,0,0]=4 331 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2I)Br 22a_100000106764_100000751167 [1,0,1,0,0,0|2,0,0]=4 332 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2I)Br 527a_100000106764_100000751167 [1,0,1,0,0,0|2,0,0]=4 333 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2O)Br 22a_100000106764_100000744433 [1,0,1,0,0,0|1,0,1]=4 334 B18R2.6543 O=C(Nc1ccccc1)c2ccc(cc2O)Br 527a_100000106764_100000744433 [1,0,1,0,0,0|1,0,1]=4 335 B18R2.123723 C=CC=CC(=O)C1Oc2ccc(cc2C1=O)Br 1458a_100016291481_100011071988 [1,0,1,0,0,0|2,0,0]=4 336 B18R3.32722 Brc1ccc2[nH]c(cc2c1)c3ccccc3 271570a_100011218836_100011012855 [2,0,0,0,0,0|1,0,1]=4 337 B18R3.32722 Brc1ccc2cc([nH]c2c1)c3ccccc3 271570a_200010246288_100000210277 [2,0,0,0,0,0|1,0,1]=4 338 B18R3.32722 Brc1ccc2cc(sc2c1)c3ccccc3 271570a_100015653926_100000210277 [2,0,0,0,0,0|1,0,1]=4 339 B18R3.32722 Brc1ccc2oc(cc2c1)c3ccccc3 271570a_100010176198_100000210277 [2,0,0,0,0,0|1,0,1]=4 340 B18R3.32722 Brc1ccc2sc(cc2c1)c3ccccc3 271570a_100011218836_200010198765 [2,0,0,0,0,0|1,0,1]=4 341 B20R2.12102 C=CCN(C(=O)c1cccc(c1)Br)c2ccccc2 11a_100000211662_100000210664 [0,1,1,0,0,0|2,0,0]=4 342 B20R2.12102 C=CCN(C(=O)c1cccc(c1)Br)c2ccccc2 1626a_100000211662_100000210664 [0,1,1,0,0,0|2,0,0]=4 343 B20R2.12102 C=CCN(C(=O)c1cccc(c1)Br)c2ccccc2 22a_100000211662_100000210664 [0,1,1,0,0,0|2,0,0]=4 344 B20R2.12102 O=C(c1cccc(c1)Br)C(CCCl)c2ccccc2 1458a_100000210664_200010132975 [0,1,1,0,0,0|1,0,1]=4 345 B20R2.635311 CC(=O)C(C(=O)c1cccc(c1)Br)c2ccccc2 1458a_100000210664_100009888967 [0,1,1,0,0,0|0,0,0]=2 346 B20R2.635311 CC(=O)C(C(=O)c1cccc(c1)C)c2ccccc2 1458a_100000189346_100009888967 [0,1,1,0,0,0|1,0,0]=3 347 B20R2.635311 CC(=O)C(C(=O)c1cccc(c1)Cl)c2ccccc2 1458a_100000210390_100009888967 [0,1,1,0,0,0|0,1,0]=3 348 B20R2.635311 CC(=O)C(C(=O)c1cccc(c1)F)c2ccccc2 1458a_100000210950_100009888967 [0,1,1,0,0,0|0,1,0]=3 349 B20R2.635311 CC(=O)C(C(=O)c1cccc(c1)I)c2ccccc2 1458a_100000184098_100009888967 [0,1,1,0,0,0|0,1,0]=3 350 B20R2.635311 CC(=O)C(C(=O)c1cccc(c1)O)c2ccccc2 1458a_100000183914_100009888967 [0,1,1,0,0,0|1,0,0]=3 351 B20R2.635311 CC(=O)C(c1ccccc1)N(C)c2cccc(c2)Br 2230a_100000219648_100009888967 [0,1,1,0,0,0|2,0,0]=4 352 B20R2.635311 CC(=O)C(c1ccccc1)N(C)c2cccc(c2)Br 269982a_100000219648_100009888967 [0,1,1,0,0,0|2,0,0]=4 353 B20R2.635311 CN(c1cccc(c1)Br)C(C(=O)N)c2ccccc2 2230a_100000219648_100000188848 [0,1,1,0,0,0|2,0,0]=4 354 B20R2.635311 CN(c1cccc(c1)Br)C(C(=O)N)c2ccccc2 269982a_100000219648_100000188848 [0,1,1,0,0,0|2,0,0]=4 355 B20R2.635311 Cc1cccc(c1)C(=O)C(C(=O)N)c2ccccc2 1458a_100000189346_100000188848 [0,1,1,0,0,0|1,0,0]=3 356 B20R2.635311 NC(=O)C(C(=O)c1cccc(c1)Br)c2ccccc2 1458a_100000210664_100000188848 [0,1,1,0,0,0|0,0,0]=2 357 B20R2.635311 NC(=O)C(C(=O)c1cccc(c1)Cl)c2ccccc2 1458a_100000210390_100000188848 [0,1,1,0,0,0|0,1,0]=3 358 B20R2.635311 NC(=O)C(C(=O)c1cccc(c1)F)c2ccccc2 1458a_100000210950_100000188848 [0,1,1,0,0,0|0,1,0]=3 359 B20R2.635311 NC(=O)C(C(=O)c1cccc(c1)I)c2ccccc2 1458a_100000184098_100000188848 [0,1,1,0,0,0|0,1,0]=3 360 B20R2.635311 NC(=O)C(C(=O)c1cccc(c1)O)c2ccccc2 1458a_100000183914_100000188848 [0,1,1,0,0,0|1,0,0]=3 361 B20R2.12120 C=CCN(C(=O)c1ccc(cc1)Br)c2ccccc2 11a_100000211662_100000185839 [0,1,1,0,0,0|2,0,0]=4 362 B20R2.12120 C=CCN(C(=O)c1ccc(cc1)Br)c2ccccc2 1626a_100000211662_100000185839 [0,1,1,0,0,0|2,0,0]=4 363 B20R2.12120 C=CCN(C(=O)c1ccc(cc1)Br)c2ccccc2 22a_100000211662_100000185839 [0,1,1,0,0,0|2,0,0]=4 364 B20R2.12120 O=C(c1ccc(cc1)Br)C(CCCl)c2ccccc2 1458a_100000185839_200010132975 [0,1,1,0,0,0|1,0,1]=4 365 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)Br)c2ccccc2 1458a_100000185839_100009888967 [0,1,1,0,0,0|0,0,0]=2 366 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)C)c2ccccc2 1458a_100000188618_100009888967 [0,1,1,0,0,0|1,0,0]=3 367 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000070787_100014546569 [0,1,1,0,0,0|0,1,0]=3 368 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000210187_100009888967 [0,1,1,0,0,0|0,1,0]=3 369 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000070787_100020642289 [0,1,1,0,0,0|0,1,0]=3 370 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000187176_100009888967 [0,1,1,0,0,0|0,1,0]=3 371 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)I)c2ccccc2 1458a_100000187904_100009888967 [0,1,1,0,0,0|0,1,0]=3 372 B20R2.236920 CC(=O)C(C(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000212099_100009888967 [0,1,1,0,0,0|1,0,0]=3 373 B20R2.236920 CC(=O)C(c1ccccc1)N(C)c2ccc(cc2)Br 2230a_100000219623_100009888967 [0,1,1,0,0,0|2,0,0]=4 374 B20R2.236920 CC(=O)C(c1ccccc1)N(C)c2ccc(cc2)Br 269982a_100000219623_100009888967 [0,1,1,0,0,0|2,0,0]=4 375 B20R2.236920 CN(c1ccc(cc1)Br)C(C(=O)N)c2ccccc2 2230a_100000219623_100000188848 [0,1,1,0,0,0|2,0,0]=4 376 B20R2.236920 CN(c1ccc(cc1)Br)C(C(=O)N)c2ccccc2 269982a_100000219623_100000188848 [0,1,1,0,0,0|2,0,0]=4 377 B20R2.236920 Cc1ccc(cc1)C(=O)C(C(=O)N)c2ccccc2 1458a_100000188618_100000188848 [0,1,1,0,0,0|1,0,0]=3 378 B20R2.236920 NC(=O)C(C(=O)c1ccc(cc1)Br)c2ccccc2 1458a_100000185839_100000188848 [0,1,1,0,0,0|0,0,0]=2 379 B20R2.236920 NC(=O)C(C(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000210187_100000188848 [0,1,1,0,0,0|0,1,0]=3 380 B20R2.236920 NC(=O)C(C(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000187176_100000188848 [0,1,1,0,0,0|0,1,0]=3 381 B20R2.236920 NC(=O)C(C(=O)c1ccc(cc1)I)c2ccccc2 1458a_100000187904_100000188848 [0,1,1,0,0,0|0,1,0]=3 382 B20R2.236920 NC(=O)C(C(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000212099_100000188848 [0,1,1,0,0,0|1,0,0]=3 383 B20R2.2766 CCc1ccc(cc1C(=O)C(C)c2ccccc2)Br 1458a_100012343961_100000230085 [0,1,1,0,0,0|1,0,1]=4 384 B20R2.2766 COc1ccc(cc1C(=O)C(C)c2ccccc2)Br 1458a_100000188853_100000230085 [0,1,1,0,0,0|2,0,0]=4 385 B20R2.4592 CCOc1ccc(cc1C(=O)Cc2ccccc2)Br 1458a_200000215690_100015291786 [0,1,1,0,0,0|1,0,1]=4 386 B20R2.25992 CCc1ccc(cc1C(=O)Cc2ccccc2Br)Br 1458a_100012343961_100000184730 [0,1,1,0,0,0|1,0,1]=4 387 B20R2.25992 CCc1ccc(cc1C(=O)Cc2ccccc2C)Br 1458a_100012343961_100000211839 [0,1,1,0,0,0|1,0,1]=4 388 B20R2.25992 CCc1ccc(cc1C(=O)Cc2ccccc2Cl)Br 1458a_100012343961_100000187162 [0,1,1,0,0,0|1,0,1]=4 389 B20R2.25992 CCc1ccc(cc1C(=O)Cc2ccccc2F)Br 1458a_100012343961_100000187165 [0,1,1,0,0,0|1,0,1]=4 390 B20R2.25992 CCc1ccc(cc1C(=O)Cc2ccccc2I)Br 1458a_100012343961_100011216222 [0,1,1,0,0,0|1,0,1]=4 391 B20R2.25992 COc1ccc(cc1C(=O)Cc2ccccc2Br)Br 1458a_100000188853_100000184730 [0,1,1,0,0,0|2,0,0]=4 392 B20R2.25992 COc1ccc(cc1C(=O)Cc2ccccc2C)Br 1458a_100000188853_100000211839 [0,1,1,0,0,0|2,0,0]=4 393 B20R2.25992 COc1ccc(cc1C(=O)Cc2ccccc2Cl)Br 1458a_100000188853_100000187162 [0,1,1,0,0,0|2,0,0]=4 394 B20R2.25992 COc1ccc(cc1C(=O)Cc2ccccc2F)Br 1458a_100000188853_100000187165 [0,1,1,0,0,0|2,0,0]=4 395 B20R2.25992 COc1ccc(cc1C(=O)Cc2ccccc2I)Br 1458a_100000188853_100011216222 [0,1,1,0,0,0|2,0,0]=4 396 B20R2.26950 CCc1ccc(cc1C(=O)Cc2ccc(cc2)Br)Br 1458a_100012343961_100000189115 [0,1,1,0,0,0|1,0,1]=4 397 B20R2.26950 CCc1ccc(cc1C(=O)Cc2ccc(cc2)C)Br 1458a_100012343961_100000210814 [0,1,1,0,0,0|1,0,1]=4 398 B20R2.26950 CCc1ccc(cc1C(=O)Cc2ccc(cc2)Cl)Br 1458a_100012343961_100000694040 [0,1,1,0,0,0|1,0,1]=4 399 B20R2.26950 CCc1ccc(cc1C(=O)Cc2ccc(cc2)F)Br 1458a_100012343961_100000198546 [0,1,1,0,0,0|1,0,1]=4 400 B20R2.26950 CCc1ccc(cc1C(=O)Cc2ccc(cc2)I)Br 1458a_100012343961_100000189116 [0,1,1,0,0,0|1,0,1]=4 401 B20R2.26950 COc1ccc(cc1C(=O)Cc2ccc(cc2)Br)Br 1458a_100000188853_100000189115 [0,1,1,0,0,0|2,0,0]=4 402 B20R2.26950 COc1ccc(cc1C(=O)Cc2ccc(cc2)C)Br 1458a_100000188853_100000210814 [0,1,1,0,0,0|2,0,0]=4 403 B20R2.26950 COc1ccc(cc1C(=O)Cc2ccc(cc2)Cl)Br 1458a_100000188853_100000694040 [0,1,1,0,0,0|2,0,0]=4 404 B20R2.26950 COc1ccc(cc1C(=O)Cc2ccc(cc2)F)Br 1458a_100000188853_100000198546 [0,1,1,0,0,0|2,0,0]=4 405 B20R2.26950 COc1ccc(cc1C(=O)Cc2ccc(cc2)I)Br 1458a_100000188853_100000189116 [0,1,1,0,0,0|2,0,0]=4 406 B20R2.26960 CCc1ccc(cc1C(=O)Cc2cccc(c2)Br)Br 1458a_100012343961_100000211773 [0,1,1,0,0,0|1,0,1]=4 407 B20R2.26960 CCc1ccc(cc1C(=O)Cc2cccc(c2)C)Br 1458a_100012343961_100000211840 [0,1,1,0,0,0|1,0,1]=4 408 B20R2.26960 CCc1ccc(cc1C(=O)Cc2cccc(c2)Cl)Br 1458a_100012343961_100000181238 [0,1,1,0,0,0|1,0,1]=4 409 B20R2.26960 CCc1ccc(cc1C(=O)Cc2cccc(c2)F)Br 1458a_100012343961_100000230114 [0,1,1,0,0,0|1,0,1]=4 410 B20R2.26960 CCc1ccc(cc1C(=O)Cc2cccc(c2)I)Br 1458a_100012343961_100011218688 [0,1,1,0,0,0|1,0,1]=4 411 B20R2.26960 CCc1ccc(cc1C(=O)Cc2cccc(c2)O)Br 1458a_100012343961_100011660834 [0,1,1,0,0,0|1,0,1]=4 412 B20R2.26960 COc1ccc(cc1C(=O)Cc2cccc(c2)Br)Br 1458a_100000188853_100000211773 [0,1,1,0,0,0|2,0,0]=4 413 B20R2.26960 COc1ccc(cc1C(=O)Cc2cccc(c2)C)Br 1458a_100000188853_100000211840 [0,1,1,0,0,0|2,0,0]=4 414 B20R2.26960 COc1ccc(cc1C(=O)Cc2cccc(c2)Cl)Br 1458a_100000188853_100000181238 [0,1,1,0,0,0|2,0,0]=4 415 B20R2.26960 COc1ccc(cc1C(=O)Cc2cccc(c2)F)Br 1458a_100000188853_100000230114 [0,1,1,0,0,0|2,0,0]=4 416 B20R2.26960 COc1ccc(cc1C(=O)Cc2cccc(c2)I)Br 1458a_100000188853_100011218688 [0,1,1,0,0,0|2,0,0]=4 417 B20R2.26960 COc1ccc(cc1C(=O)Cc2cccc(c2)O)Br 1458a_100000188853_100011660834 [0,1,1,0,0,0|2,0,0]=4 418 B20R2.156018 CN(Cc1ccccc1)c2cc(ccc2C(=O)N)Br 27a_100000186898_100009815748 [0,1,1,0,0,0|2,0,0]=4 419 B20R2.156018 Cc1ccc(c(c1)C(=O)Cc2ccccc2)[N+](=O)[O-] 1458a_100000763269_100015291786 [0,1,1,0,0,0|2,0,0]=4 420 B20R2.156018 O=C(Cc1ccccc1)c2cc(ccc2[N+](=O)[O-])Br 1458a_100009992657_100015291786 [0,1,1,0,0,0|1,0,0]=3 421 B20R2.156018 O=C(Cc1ccccc1)c2cc(ccc2[N+](=O)[O-])Cl 1458a_100000210914_100015291786 [0,1,1,0,0,0|1,1,0]=4 422 B20R2.156018 O=C(Cc1ccccc1)c2cc(ccc2[N+](=O)[O-])I 1458a_100010186413_100015291786 [0,1,1,0,0,0|1,1,0]=4 423 B20R2.156018 O=C(Cc1ccccc1)c2cc(ccc2[N+](=O)[O-])O 1458a_100000692585_100015291786 [0,1,1,0,0,0|2,0,0]=4 424 B20R2.156018 O=C(Cc1ccccn1)c2cc(ccc2[N+](=O)[O-])Br 1458a_100009992657_100000721315 [0,1,1,0,0,0|2,0,0]=4 425 B20R2.156018 O=C(Cc1cccnc1)c2cc(ccc2[N+](=O)[O-])Br 1458a_100009992657_100000733263 [0,1,1,0,0,0|2,0,0]=4 426 B20R2.156018 O=C(Cc1ccncc1)c2cc(ccc2[N+](=O)[O-])Br 1458a_100009992657_100000705612 [0,1,1,0,0,0|2,0,0]=4 427 B20R2.156018 O=C(Nc1ccccc1)c2cc(ccc2[N+](=O)[O-])Br 1626a_100000106764_100009992657 [0,1,1,0,0,0|2,0,0]=4 428 B20R2.156018 O=C(Nc1ccccc1)c2cc(ccc2[N+](=O)[O-])Br 22a_100000106764_100009992657 [0,1,1,0,0,0|2,0,0]=4 429 B20R2.307066 COc1cc(c(cc1C(=O)Cc2ccccc2)Br)C 1458a_100000728833_100015291786 [0,1,1,0,0,0|2,0,0]=4 430 B20R2.307066 COc1cc(c(cc1C(=O)Cc2ccccc2)Br)Cl 1458a_100000760434_100015291786 [0,1,1,0,0,0|2,0,0]=4 431 B20R2.307066 COc1cc(c(cc1C(=O)Cc2ccccc2)Br)F 1458a_100012355408_100015291786 [0,1,1,0,0,0|2,0,0]=4 432 B20R2.308609 COc1ccc(c(c1C(=O)Cc2ccccc2)C)Br 1458a_200010273786_100015291786 [0,1,1,0,0,0|2,0,0]=4 433 B20R2.308609 COc1ccc(c(c1C(=O)Cc2ccccc2)F)Br 1458a_100010782282_100015291786 [0,1,1,0,0,0|2,0,0]=4 434 B20R2.2621823 COc1c(cc(cc1C(=O)Cc2ccccc2)Br)Br 1458a_100000188141_100015291786 [0,1,1,0,0,0|2,0,0]=4 435 B20R2.4825 CN(C)c1cc(ccc1C(=O)Cc2ccccc2)Br 1458a_200000744963_100015291786 [0,1,1,0,0,0|2,0,0]=4 436 B20R2.4825 CN(Cc1ccccc1)c2ccc(cc2C(=O)N)Br 269982a_200010114593_100000211182 [0,1,1,0,0,0|2,0,0]=4 437 B20R2.4825 CN(Cc1ccccc1)c2ccc(cc2C(=O)N)Br 27a_100000186898_200000162314 [0,1,1,0,0,0|2,0,0]=4 438 B20R2.4825 CN(Cc1ccccc1)c2ccc(cc2C(=O)N)Br 34a_200010114593_100015291786 [0,1,1,0,0,0|2,0,0]=4 439 B20R2.4825 Cc1ccc(c(c1)[N+](=O)[O-])C(=O)Cc2ccccc2 1458a_100011827699_100015291786 [0,1,1,0,0,0|2,0,0]=4 440 B20R2.4825 O=C(Cc1ccccc1)c2ccc(cc2[N+](=O)[O-])Br 1458a_100000767047_100015291786 [0,1,1,0,0,0|1,0,0]=3 441 B20R2.4825 O=C(Cc1ccccc1)c2ccc(cc2[N+](=O)[O-])Cl 1458a_100000210460_100015291786 [0,1,1,0,0,0|1,1,0]=4 442 B20R2.4825 O=C(Cc1ccccc1)c2ccc(cc2[N+](=O)[O-])F 1458a_100000686224_100015291786 [0,1,1,0,0,0|1,1,0]=4 443 B20R2.4825 O=C(Cc1ccccc1)c2ccc(cc2[N+](=O)[O-])I 1458a_100000718686_100015291786 [0,1,1,0,0,0|1,1,0]=4 444 B20R2.4825 O=C(Cc1ccccc1)c2ccc(cc2[N+](=O)[O-])O 1458a_100000701580_100015291786 [0,1,1,0,0,0|2,0,0]=4 445 B20R2.4825 O=C(Cc1ccccn1)c2ccc(cc2[N+](=O)[O-])Br 1458a_100000767047_100000721315 [0,1,1,0,0,0|2,0,0]=4 446 B20R2.4825 O=C(Cc1cccnc1)c2ccc(cc2[N+](=O)[O-])Br 1458a_100000767047_100000733263 [0,1,1,0,0,0|2,0,0]=4 447 B20R2.4825 O=C(Cc1ccncc1)c2ccc(cc2[N+](=O)[O-])Br 1458a_100000767047_100000705612 [0,1,1,0,0,0|2,0,0]=4 448 B20R2.4825 O=C(Nc1ccccc1)c2ccc(cc2[N+](=O)[O-])Br 11a_100000106764_100000767047 [0,1,1,0,0,0|2,0,0]=4 449 B20R2.4825 O=C(Nc1ccccc1)c2ccc(cc2[N+](=O)[O-])Br 1626a_100000106764_100000767047 [0,1,1,0,0,0|2,0,0]=4 450 B20R2.4825 O=C(Nc1ccccc1)c2ccc(cc2[N+](=O)[O-])Br 22a_100000106764_100000767047 [0,1,1,0,0,0|2,0,0]=4 451 B20R2.4825 O=C(Nc1ccccc1)c2ccc(cc2[N+](=O)[O-])Br 527a_100000106764_100000767047 [0,1,1,0,0,0|2,0,0]=4 452 B20R2.8962 COc1cc(cc(c1C(=O)Cc2ccccc2)F)Br 1458a_100010734140_100015291786 [0,1,1,0,0,0|2,0,0]=4 453 B20R2.30535 CCc1cc(ccc1C(=O)Cc2ccc(cc2)Br)Br 1458a_200012349896_100000189115 [0,1,1,0,0,0|1,0,1]=4 454 B20R2.30535 CCc1cc(ccc1C(=O)Cc2ccc(cc2)C)Br 1458a_200012349896_100000210814 [0,1,1,0,0,0|1,0,1]=4 455 B20R2.30535 CCc1cc(ccc1C(=O)Cc2ccc(cc2)Cl)Br 1458a_200012349896_100000694040 [0,1,1,0,0,0|1,0,1]=4 456 B20R2.30535 CCc1cc(ccc1C(=O)Cc2ccc(cc2)F)Br 1458a_200012349896_100000198546 [0,1,1,0,0,0|1,0,1]=4 457 B20R2.30535 CCc1cc(ccc1C(=O)Cc2ccc(cc2)I)Br 1458a_200012349896_100000189116 [0,1,1,0,0,0|1,0,1]=4 458 B20R2.30535 COc1cc(ccc1C(=O)Cc2ccc(cc2)Br)Br 1458a_100000748230_100000189115 [0,1,1,0,0,0|2,0,0]=4 459 B20R2.30535 COc1cc(ccc1C(=O)Cc2ccc(cc2)C)Br 1458a_100000748230_100000210814 [0,1,1,0,0,0|2,0,0]=4 460 B20R2.30535 COc1cc(ccc1C(=O)Cc2ccc(cc2)Cl)Br 1458a_100000748230_100000694040 [0,1,1,0,0,0|2,0,0]=4 461 B20R2.30535 COc1cc(ccc1C(=O)Cc2ccc(cc2)F)Br 1458a_100000748230_100000198546 [0,1,1,0,0,0|2,0,0]=4 462 B20R2.30535 COc1cc(ccc1C(=O)Cc2ccc(cc2)I)Br 1458a_100000748230_100000189116 [0,1,1,0,0,0|2,0,0]=4 463 B20R2.30535 Cc1ccc(cc1)CC(=O)c2ccc(cc2C#N)Br 1458a_100012349539_100000210814 [0,1,1,0,0,0|1,0,1]=4 464 B20R2.30535 Cc1ccc(cc1)CC(=O)c2ccc(cc2CO)Br 1458a_100010253900_100000210814 [0,1,1,0,0,0|0,0,2]=4 465 B20R2.30535 N#Cc1cc(ccc1C(=O)Cc2ccc(cc2)Br)Br 1458a_100012349539_100000189115 [0,1,1,0,0,0|1,0,1]=4 466 B20R2.30535 N#Cc1cc(ccc1C(=O)Cc2ccc(cc2)Cl)Br 1458a_100012349539_100000694040 [0,1,1,0,0,0|1,0,1]=4 467 B20R2.30535 N#Cc1cc(ccc1C(=O)Cc2ccc(cc2)F)Br 1458a_100012349539_100000198546 [0,1,1,0,0,0|1,0,1]=4 468 B20R2.30535 N#Cc1cc(ccc1C(=O)Cc2ccc(cc2)I)Br 1458a_100012349539_100000189116 [0,1,1,0,0,0|1,0,1]=4 469 B20R2.30535 O=C(Cc1ccc(cc1)Br)c2ccc(cc2CO)Br 1458a_100010253900_100000189115 [0,1,1,0,0,0|0,0,2]=4 470 B20R2.30535 O=C(Cc1ccc(cc1)Cl)c2ccc(cc2CO)Br 1458a_100010253900_100000694040 [0,1,1,0,0,0|0,0,2]=4 471 B20R2.30535 O=C(Cc1ccc(cc1)F)c2ccc(cc2CO)Br 1458a_100010253900_100000198546 [0,1,1,0,0,0|0,0,2]=4 472 B20R2.30535 O=C(Cc1ccc(cc1)I)c2ccc(cc2CO)Br 1458a_100010253900_100000189116 [0,1,1,0,0,0|0,0,2]=4 473 B20R2.30545 CCc1cc(ccc1C(=O)Cc2cccc(c2)Br)Br 1458a_200012349896_100000211773 [0,1,1,0,0,0|1,0,1]=4 474 B20R2.30545 CCc1cc(ccc1C(=O)Cc2cccc(c2)C)Br 1458a_200012349896_100000211840 [0,1,1,0,0,0|1,0,1]=4 475 B20R2.30545 CCc1cc(ccc1C(=O)Cc2cccc(c2)Cl)Br 1458a_200012349896_100000181238 [0,1,1,0,0,0|1,0,1]=4 476 B20R2.30545 CCc1cc(ccc1C(=O)Cc2cccc(c2)F)Br 1458a_200012349896_100000230114 [0,1,1,0,0,0|1,0,1]=4 477 B20R2.30545 CCc1cc(ccc1C(=O)Cc2cccc(c2)I)Br 1458a_200012349896_100011218688 [0,1,1,0,0,0|1,0,1]=4 478 B20R2.30545 CCc1cc(ccc1C(=O)Cc2cccc(c2)O)Br 1458a_200012349896_100011660834 [0,1,1,0,0,0|1,0,1]=4 479 B20R2.30545 COc1cc(ccc1C(=O)Cc2cccc(c2)Br)Br 1458a_100000748230_100000211773 [0,1,1,0,0,0|2,0,0]=4 480 B20R2.30545 COc1cc(ccc1C(=O)Cc2cccc(c2)C)Br 1458a_100000748230_100000211840 [0,1,1,0,0,0|2,0,0]=4 481 B20R2.30545 COc1cc(ccc1C(=O)Cc2cccc(c2)Cl)Br 1458a_100000748230_100000181238 [0,1,1,0,0,0|2,0,0]=4 482 B20R2.30545 COc1cc(ccc1C(=O)Cc2cccc(c2)F)Br 1458a_100000748230_100000230114 [0,1,1,0,0,0|2,0,0]=4 483 B20R2.30545 COc1cc(ccc1C(=O)Cc2cccc(c2)I)Br 1458a_100000748230_100011218688 [0,1,1,0,0,0|2,0,0]=4 484 B20R2.30545 COc1cc(ccc1C(=O)Cc2cccc(c2)O)Br 1458a_100000748230_100011660834 [0,1,1,0,0,0|2,0,0]=4 485 B20R2.30545 Cc1cccc(c1)CC(=O)c2ccc(cc2C#N)Br 1458a_100012349539_100000211840 [0,1,1,0,0,0|1,0,1]=4 486 B20R2.30545 Cc1cccc(c1)CC(=O)c2ccc(cc2CO)Br 1458a_100010253900_100000211840 [0,1,1,0,0,0|0,0,2]=4 487 B20R2.30545 N#Cc1cc(ccc1C(=O)Cc2cccc(c2)Br)Br 1458a_100012349539_100000211773 [0,1,1,0,0,0|1,0,1]=4 488 B20R2.30545 N#Cc1cc(ccc1C(=O)Cc2cccc(c2)Cl)Br 1458a_100012349539_100000181238 [0,1,1,0,0,0|1,0,1]=4 489 B20R2.30545 N#Cc1cc(ccc1C(=O)Cc2cccc(c2)F)Br 1458a_100012349539_100000230114 [0,1,1,0,0,0|1,0,1]=4 490 B20R2.30545 N#Cc1cc(ccc1C(=O)Cc2cccc(c2)I)Br 1458a_100012349539_100011218688 [0,1,1,0,0,0|1,0,1]=4 491 B20R2.30545 N#Cc1cc(ccc1C(=O)Cc2cccc(c2)O)Br 1458a_100012349539_100011660834 [0,1,1,0,0,0|1,0,1]=4 492 B20R2.30545 O=C(Cc1cccc(c1)Br)c2ccc(cc2CO)Br 1458a_100010253900_100000211773 [0,1,1,0,0,0|0,0,2]=4 493 B20R2.30545 O=C(Cc1cccc(c1)Cl)c2ccc(cc2CO)Br 1458a_100010253900_100000181238 [0,1,1,0,0,0|0,0,2]=4 494 B20R2.30545 O=C(Cc1cccc(c1)F)c2ccc(cc2CO)Br 1458a_100010253900_100000230114 [0,1,1,0,0,0|0,0,2]=4 495 B20R2.30545 O=C(Cc1cccc(c1)I)c2ccc(cc2CO)Br 1458a_100010253900_100011218688 [0,1,1,0,0,0|0,0,2]=4 496 B20R2.30545 O=C(Cc1cccc(c1)O)c2ccc(cc2CO)Br 1458a_100010253900_100011660834 [0,1,1,0,0,0|0,0,2]=4 497 B20R2.30816 CCc1cc(ccc1C(=O)Cc2ccccc2Br)Br 1458a_200012349896_100000184730 [0,1,1,0,0,0|1,0,1]=4 498 B20R2.30816 CCc1cc(ccc1C(=O)Cc2ccccc2C)Br 1458a_200012349896_100000211839 [0,1,1,0,0,0|1,0,1]=4 499 B20R2.30816 CCc1cc(ccc1C(=O)Cc2ccccc2Cl)Br 1458a_200012349896_100000187162 [0,1,1,0,0,0|1,0,1]=4 500 B20R2.30816 CCc1cc(ccc1C(=O)Cc2ccccc2F)Br 1458a_200012349896_100000187165 [0,1,1,0,0,0|1,0,1]=4 501 B20R2.30816 CCc1cc(ccc1C(=O)Cc2ccccc2I)Br 1458a_200012349896_100011216222 [0,1,1,0,0,0|1,0,1]=4 502 B20R2.30816 COc1cc(ccc1C(=O)Cc2ccccc2Br)Br 1458a_100000748230_100000184730 [0,1,1,0,0,0|2,0,0]=4 503 B20R2.30816 COc1cc(ccc1C(=O)Cc2ccccc2C)Br 1458a_100000748230_100000211839 [0,1,1,0,0,0|2,0,0]=4 504 B20R2.30816 COc1cc(ccc1C(=O)Cc2ccccc2Cl)Br 1458a_100000748230_100000187162 [0,1,1,0,0,0|2,0,0]=4 505 B20R2.30816 COc1cc(ccc1C(=O)Cc2ccccc2F)Br 1458a_100000748230_100000187165 [0,1,1,0,0,0|2,0,0]=4 506 B20R2.30816 COc1cc(ccc1C(=O)Cc2ccccc2I)Br 1458a_100000748230_100011216222 [0,1,1,0,0,0|2,0,0]=4 507 B20R2.30816 Cc1ccccc1CC(=O)c2ccc(cc2C#N)Br 1458a_100012349539_100000211839 [0,1,1,0,0,0|1,0,1]=4 508 B20R2.30816 Cc1ccccc1CC(=O)c2ccc(cc2CO)Br 1458a_100010253900_100000211839 [0,1,1,0,0,0|0,0,2]=4 509 B20R2.30816 N#Cc1cc(ccc1C(=O)Cc2ccccc2Br)Br 1458a_100012349539_100000184730 [0,1,1,0,0,0|1,0,1]=4 510 B20R2.30816 N#Cc1cc(ccc1C(=O)Cc2ccccc2Cl)Br 1458a_100012349539_100000187162 [0,1,1,0,0,0|1,0,1]=4 511 B20R2.30816 N#Cc1cc(ccc1C(=O)Cc2ccccc2F)Br 1458a_100012349539_100000187165 [0,1,1,0,0,0|1,0,1]=4 512 B20R2.30816 N#Cc1cc(ccc1C(=O)Cc2ccccc2I)Br 1458a_100012349539_100011216222 [0,1,1,0,0,0|1,0,1]=4 513 B20R2.30816 O=C(Cc1ccccc1Br)c2ccc(cc2CO)Br 1458a_100010253900_100000184730 [0,1,1,0,0,0|0,0,2]=4 514 B20R2.30816 O=C(Cc1ccccc1Cl)c2ccc(cc2CO)Br 1458a_100010253900_100000187162 [0,1,1,0,0,0|0,0,2]=4 515 B20R2.30816 O=C(Cc1ccccc1F)c2ccc(cc2CO)Br 1458a_100010253900_100000187165 [0,1,1,0,0,0|0,0,2]=4 516 B20R2.30816 O=C(Cc1ccccc1I)c2ccc(cc2CO)Br 1458a_100010253900_100011216222 [0,1,1,0,0,0|0,0,2]=4 517 B20R2.307372 CC(C(=O)c1ccc(cc1C#N)Br)c2ccccc2 1458a_100012349539_100000230085 [0,1,1,0,0,0|1,0,1]=4 518 B20R2.307372 CC(C(=O)c1ccc(cc1CO)Br)c2ccccc2 1458a_100010253900_100000230085 [0,1,1,0,0,0|0,0,2]=4 519 B20R2.307372 CCc1cc(ccc1C(=O)C(C)c2ccccc2)Br 1458a_200012349896_100000230085 [0,1,1,0,0,0|1,0,1]=4 520 B20R2.307372 COc1cc(ccc1C(=O)C(C)c2ccccc2)Br 1458a_100000748230_100000230085 [0,1,1,0,0,0|2,0,0]=4 521 B20R3.402790 O=C1c2ccccc2C(=O)N1c3ccc(cc3)O 271570a_203496583355_100000129684 [1,1,0,0,0,0|1,0,0]=3 522 B22R3.1233078 C=Cc1ccc2c(c1)C(=O)N(C2=O)Cc3ccccc3 271570a_100011290941_100009812378 [0,1,0,0,0,1|2,0,0]=4 523 B22R3.1233078 CSc1ccc2c(c1)C(=O)N(C2=O)Cc3ccccc3 62a_100009812378_200000210301 [0,1,0,0,0,1|2,0,0]=4 524 B22R3.1233078 CSc1ccc2c(c1)C(=O)N(C2=O)Cc3ccccc3 62a_200000210301_100009812378 [0,1,0,0,0,1|2,0,0]=4 525 B22R3.1233078 [13CH3]Sc1ccc2c(c1)C(=O)N(C2=O)Cc3ccccc3 62a_100009812378_200025704644 [0,1,0,0,0,1|2,0,0]=4 526 B22R3.1233078 [13CH3]Sc1ccc2c(c1)C(=O)N(C2=O)Cc3ccccc3 62a_200025704644_100009812378 [0,1,0,0,0,1|2,0,0]=4 527 B22R3.2836900 C=C(C)c1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 271570a_100000694244_200103168701 [0,2,0,0,0,0|2,0,0]=4 528 B22R3.7611855 C=C=Cc1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 271570a_100015277604_200103168701 [0,2,0,0,0,0|2,0,0]=4 529 B22R3.7611855 CC=Cc1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 271570a_100016259895_200103168701 [0,2,0,0,0,0|2,0,0]=4 530 B22R3.7611855 CCSc1ccc2c(c1)C(=O)N(C2=O)c3ccccc3 62a_200103168701_100000210202 [0,2,0,0,0,0|2,0,0]=4 531 B22R3.7611855 O=C1c2ccc(cc2C(=O)N1c3ccccc3)SCF 62a_200103168701_100015361967 [0,2,0,0,0,0|1,1,0]=4 532 B20R3.93639 O=c1c(c[nH]c2c1cc(cc2)Br)c3ccccc3 271570a_100011218836_100012348040 [0,0,1,1,0,0|1,0,1]=4 533 B20R3.2814 Cc1ccc(c(c1)C2=Cc3ccccc3C2)C=O 271570a_100010239756_100000692596 [0,0,1,1,0,0|2,0,0]=4 534 B20R3.2814 O=Cc1ccc(cc1C2=Cc3ccccc3C2)Br 271570a_100010239756_100010146562 [0,0,1,1,0,0|1,0,0]=3 535 B20R3.2814 O=Cc1ccc(cc1C2=Cc3ccccc3C2)F 271570a_100010239756_100000752949 [0,0,1,1,0,0|1,1,0]=4 536 B20R3.2814 O=Cc1ccc(cc1C2=Cc3ccccc3C2)O 271570a_100010239756_100011236494 [0,0,1,1,0,0|2,0,0]=4 537 B20R3.2814 O=Cc1ccc(cc1c2cc3ccccc3[nH]2)Br 271570a_100010206980_100010146562 [0,0,1,1,0,0|1,0,1]=4 538 B20R3.2814 O=Cc1ccc(cc1c2cc3ccccc3o2)Br 271570a_100011328764_100010146562 [0,0,1,1,0,0|0,0,2]=4 539 B20R3.2814 O=Cc1ccc(cc1c2cc3ccccc3s2)Br 271570a_100000034353_100010146562 [0,0,1,1,0,0|0,1,1]=4 540 B20R3.2814 O=Cc1ccc(cc1c2nc3ccccc3s2)Br 271570a_200000082171_100010146562 [0,0,1,1,0,0|1,1,0]=4 541 B20R3.2972 Cc1ccc(c(c1)C=O)C2=Cc3ccccc3C2 271570a_100010239756_100011551863 [0,0,1,1,0,0|2,0,0]=4 542 B20R3.2972 O=Cc1cc(ccc1C2=Cc3ccccc3C2)Br 271570a_100010239756_100010185651 [0,0,1,1,0,0|1,0,0]=3 543 B20R3.2972 O=Cc1cc(ccc1C2=Cc3ccccc3C2)Cl 271570a_100010239756_100010254386 [0,0,1,1,0,0|1,1,0]=4 544 B20R3.2972 O=Cc1cc(ccc1C2=Cc3ccccc3C2)F 271570a_100010239756_100011218309 [0,0,1,1,0,0|1,1,0]=4 545 B20R3.2972 O=Cc1cc(ccc1C2=Cc3ccccc3C2)O 271570a_100010239756_100000690577 [0,0,1,1,0,0|2,0,0]=4 546 B20R3.2972 O=Cc1cc(ccc1c2cc3ccccc3[nH]2)Br 271570a_100010206980_100010185651 [0,0,1,1,0,0|1,0,1]=4 547 B20R3.2972 O=Cc1cc(ccc1c2cc3ccccc3[nH]2)Br 271570a_100021397726_100010232065 [0,0,1,1,0,0|1,0,1]=4 548 B20R3.2972 O=Cc1cc(ccc1c2cc3ccccc3o2)Br 271570a_100011328764_100010185651 [0,0,1,1,0,0|0,0,2]=4 549 B20R3.2972 O=Cc1cc(ccc1c2cc3ccccc3o2)Br 271570a_100021397726_100010159458 [0,0,1,1,0,0|0,0,2]=4 550 B20R3.2972 O=Cc1cc(ccc1c2cc3ccccc3s2)Br 271570a_100000034353_100010185651 [0,0,1,1,0,0|0,1,1]=4 551 B20R3.2972 O=Cc1cc(ccc1c2cc3ccccc3s2)Br 271570a_100021397726_100009816949 [0,0,1,1,0,0|0,1,1]=4 552 B20R3.2972 O=Cc1cc(ccc1c2nc3ccccc3[nH]2)Br 271570a_100021397726_100009814255 [0,0,1,1,0,0|2,0,0]=4 553 B20R3.2972 O=Cc1cc(ccc1c2nc3ccccc3s2)Br 271570a_100021397726_100000751744 [0,0,1,1,0,0|1,1,0]=4 554 B20R3.2972 O=Cc1cc(ccc1c2nc3ccccc3s2)Br 271570a_200000082171_100010185651 [0,0,1,1,0,0|1,1,0]=4 555 B18R2.2553 C=C(c1ccccc1)c2cc(ccc2C=O)Br 271570a_100000068269_100010146562 [0,0,1,0,1,0|1,0,0]=3 556 B18R2.2553 C=C(c1ccccc1)c2cc(ccc2C=O)C 271570a_100000068269_100000692596 [0,0,1,0,1,0|2,0,0]=4 557 B18R2.2553 C=C(c1ccccc1)c2cc(ccc2C=O)F 271570a_100000068269_100000752949 [0,0,1,0,1,0|1,1,0]=4 558 B18R2.2553 C=C(c1ccccc1)c2cc(ccc2C=O)O 271570a_100000068269_100011236494 [0,0,1,0,1,0|2,0,0]=4 559 B18R2.2553 COc1ccc(cc1C(=O)c2ccccc2)Br 7a_200011217964_200000210301 [0,0,1,0,1,0|2,0,0]=4 560 B18R2.2553 [13CH3]Oc1ccc(cc1C(=O)c2ccccc2)Br 7a_200011217964_200025704644 [0,0,1,0,1,0|2,0,0]=4 561 B18R2.2680 C=C(c1ccccc1)c2ccc(cc2C=O)Br 271570a_100000068269_100010185651 [0,0,1,0,1,0|1,0,0]=3 562 B18R2.2680 C=C(c1ccccc1)c2ccc(cc2C=O)C 271570a_100000068269_100011551863 [0,0,1,0,1,0|2,0,0]=4 563 B18R2.2680 C=C(c1ccccc1)c2ccc(cc2C=O)Cl 271570a_100000068269_100010254386 [0,0,1,0,1,0|1,1,0]=4 564 B18R2.2680 C=C(c1ccccc1)c2ccc(cc2C=O)F 271570a_100000068269_100011218309 [0,0,1,0,1,0|1,1,0]=4 565 B18R2.2680 C=C(c1ccccc1)c2ccc(cc2C=O)O 271570a_100000068269_100000690577 [0,0,1,0,1,0|2,0,0]=4 566 B20R2.2159 CCC(C(=O)Cc1cccc(c1)Br)c2ccccc2 1458a_100000211302_100000211773 [0,0,1,0,0,1|1,0,1]=4 567 B20R2.2159 CCC(C(=O)Nc1cccc(c1)Br)c2ccccc2 11a_100000210019_100000211302 [0,0,1,0,0,1|1,0,1]=4 568 B20R2.2159 CCC(C(=O)Nc1cccc(c1)Br)c2ccccc2 1626a_100000210019_100000211302 [0,0,1,0,0,1|1,0,1]=4 569 B20R2.2159 CCC(C(=O)Nc1cccc(c1)Br)c2ccccc2 22a_100000210019_100000211302 [0,0,1,0,0,1|1,0,1]=4 570 B20R2.2159 CCC(C(=O)Nc1cccc(c1)Br)c2ccccc2 527a_100000210019_100000211302 [0,0,1,0,0,1|1,0,1]=4 571 B20R2.2159 CO[C@@H](C(=O)Cc1cccc(c1)Br)c2ccccc2 1458a_100000698336_100000211773 [0,0,1,0,0,1|2,0,0]=4 572 B20R2.2159 CO[C@@H](C(=O)Nc1cccc(c1)Br)c2ccccc2 11a_100000210019_100000698336 [0,0,1,0,0,1|2,0,0]=4 573 B20R2.2159 CO[C@@H](C(=O)Nc1cccc(c1)Br)c2ccccc2 1626a_100000210019_100000698336 [0,0,1,0,0,1|2,0,0]=4 574 B20R2.2159 CO[C@@H](C(=O)Nc1cccc(c1)Br)c2ccccc2 22a_100000210019_100000698336 [0,0,1,0,0,1|2,0,0]=4 575 B20R2.2159 CO[C@@H](C(=O)Nc1cccc(c1)Br)c2ccccc2 527a_100000210019_100000698336 [0,0,1,0,0,1|2,0,0]=4 576 B20R2.2159 O=C(Cc1cccc(c1)Br)C(CO)c2ccccc2 1458a_100011218805_100000211773 [0,0,1,0,0,1|0,0,2]=4 577 B20R2.2159 O=C(Nc1cccc(c1)Br)C(CO)c2ccccc2 22a_100000210019_100011218805 [0,0,1,0,0,1|0,0,2]=4 578 B20R2.10888 CCC(NC(=O)c1cccc(c1)Br)c2ccccc2 11a_100000737752_100000210664 [0,0,1,0,0,1|1,0,1]=4 579 B20R2.10888 CCC(NC(=O)c1cccc(c1)Br)c2ccccc2 1626a_100000737752_100000210664 [0,0,1,0,0,1|1,0,1]=4 580 B20R2.10888 CCC(NC(=O)c1cccc(c1)Br)c2ccccc2 240690a_100000737752_100000210664 [0,0,1,0,0,1|1,0,1]=4 581 B20R2.10888 CCC(NC(=O)c1cccc(c1)Br)c2ccccc2 527a_100000737752_100000210664 [0,0,1,0,0,1|1,0,1]=4 582 B20R2.10888 N#CC(NC(=O)c1cccc(c1)Br)c2ccccc2 1626a_100020627052_100000210664 [0,0,1,0,0,1|1,0,1]=4 583 B20R2.10888 N#CC(NC(=O)c1cccc(c1)Br)c2ccccc2 240690a_100020627052_100000210664 [0,0,1,0,0,1|1,0,1]=4 584 B20R2.10888 O=C(N[C@H](CO)c1ccccc1)c2cccc(c2)Br 240690a_100000751927_100000210664 [0,0,1,0,0,1|0,0,2]=4 585 B20R2.10888 O=C(N[C@H](CO)c1ccccc1)c2cccc(c2)Br 527a_100000751927_100000210664 [0,0,1,0,0,1|0,0,2]=4 586 B20R2.12396 N#CC(Cc1ccccc1)C(=O)c2cccc(c2)Br 1458a_100000210664_100000183401 [0,0,1,0,0,1|1,0,1]=4 587 B20R2.2154 CCC(C(=O)Cc1ccc(cc1)Br)c2ccccc2 1458a_100000211302_100000189115 [0,0,1,0,0,1|1,0,1]=4 588 B20R2.2154 CCC(C(=O)Nc1ccc(cc1)Br)c2ccccc2 11a_100000210018_100000211302 [0,0,1,0,0,1|1,0,1]=4 589 B20R2.2154 CCC(C(=O)Nc1ccc(cc1)Br)c2ccccc2 1626a_100000210018_100000211302 [0,0,1,0,0,1|1,0,1]=4 590 B20R2.2154 CCC(C(=O)Nc1ccc(cc1)Br)c2ccccc2 22a_100000210018_100000211302 [0,0,1,0,0,1|1,0,1]=4 591 B20R2.2154 CCC(C(=O)Nc1ccc(cc1)Br)c2ccccc2 527a_100000210018_100000211302 [0,0,1,0,0,1|1,0,1]=4 592 B20R2.2154 CO[C@@H](C(=O)Cc1ccc(cc1)Br)c2ccccc2 1458a_100000698336_100000189115 [0,0,1,0,0,1|2,0,0]=4 593 B20R2.2154 CO[C@@H](C(=O)Nc1ccc(cc1)Br)c2ccccc2 11a_100000210018_100000698336 [0,0,1,0,0,1|2,0,0]=4 594 B20R2.2154 CO[C@@H](C(=O)Nc1ccc(cc1)Br)c2ccccc2 1626a_100000210018_100000698336 [0,0,1,0,0,1|2,0,0]=4 595 B20R2.2154 CO[C@@H](C(=O)Nc1ccc(cc1)Br)c2ccccc2 22a_100000210018_100000698336 [0,0,1,0,0,1|2,0,0]=4 596 B20R2.2154 CO[C@@H](C(=O)Nc1ccc(cc1)Br)c2ccccc2 527a_100000210018_100000698336 [0,0,1,0,0,1|2,0,0]=4 597 B20R2.2154 O=C(Cc1ccc(cc1)Br)C(CO)c2ccccc2 1458a_100011218805_100000189115 [0,0,1,0,0,1|0,0,2]=4 598 B20R2.2154 O=C(Nc1ccc(cc1)Br)C(CO)c2ccccc2 22a_100000210018_100011218805 [0,0,1,0,0,1|0,0,2]=4 599 B20R2.10876 CCC(NC(=O)c1ccc(cc1)Br)c2ccccc2 11a_100000737752_100000185839 [0,0,1,0,0,1|1,0,1]=4 600 B20R2.10876 CCC(NC(=O)c1ccc(cc1)Br)c2ccccc2 1626a_100000737752_100000185839 [0,0,1,0,0,1|1,0,1]=4 601 B20R2.10876 CCC(NC(=O)c1ccc(cc1)Br)c2ccccc2 240690a_100000737752_100000185839 [0,0,1,0,0,1|1,0,1]=4 602 B20R2.10876 CCC(NC(=O)c1ccc(cc1)Br)c2ccccc2 527a_100000737752_100000185839 [0,0,1,0,0,1|1,0,1]=4 603 B20R2.10876 N#CC(NC(=O)c1ccc(cc1)Br)c2ccccc2 1626a_100020627052_100000185839 [0,0,1,0,0,1|1,0,1]=4 604 B20R2.10876 N#CC(NC(=O)c1ccc(cc1)Br)c2ccccc2 240690a_100020627052_100000185839 [0,0,1,0,0,1|1,0,1]=4 605 B20R2.10876 O=C(N[C@H](CO)c1ccccc1)c2ccc(cc2)Br 240690a_100000751927_100000185839 [0,0,1,0,0,1|0,0,2]=4 606 B20R2.10876 O=C(N[C@H](CO)c1ccccc1)c2ccc(cc2)Br 527a_100000751927_100000185839 [0,0,1,0,0,1|0,0,2]=4 607 B20R2.12422 N#CC(Cc1ccccc1)C(=O)c2ccc(cc2)Br 1458a_100000185839_100000183401 [0,0,1,0,0,1|1,0,1]=4 608 B20R2.2775 CC(Cc1ccccc1)Sc2cc(ccc2C=O)Br 62a_100010146562_200011218536 [0,0,1,0,0,1|1,0,1]=4 609 B20R2.2775 CC(Cc1ccccc1)Sc2cc(ccc2C=O)Br 62a_200011218536_100010146562 [0,0,1,0,0,1|1,0,1]=4 610 B20R2.2775 COc1ccc(cc1CC(=O)Cc2ccccc2)Br 1458a_100000763194_100015291786 [0,0,1,0,0,1|2,0,0]=4 611 B20R2.2775 O=Cc1ccc(cc1CC(=O)C[n+]2ccccc2)F 1458a_200000086051_100010132768 [0,0,1,0,0,1|1,1,0]=4 612 B20R2.2775 O=Cc1ccc(cc1CC(=O)Cc2ccccn2)F 1458a_100000233486_100010132768 [0,0,1,0,0,1|1,1,0]=4 613 B20R2.2775 O=Cc1ccc(cc1CC(=O)Cc2cccnc2)F 1458a_100000737805_100010132768 [0,0,1,0,0,1|1,1,0]=4 614 B20R2.41171 C=Cc1ccc(cc1C(=O)NCc2ccccc2)F 271570a_100011290941_200000205844 [0,0,1,0,0,1|1,1,0]=4 615 B20R2.41171 CCc1ccc(cc1C(=O)CCc2ccccc2)Br 1458a_100012343961_100000765856 [0,0,1,0,0,1|1,0,1]=4 616 B20R2.41171 CCc1ccc(cc1C(=O)NCc2ccccc2)Br 11a_100015324214_100012343961 [0,0,1,0,0,1|1,0,1]=4 617 B20R2.41171 CCc1ccc(cc1C(=O)NCc2ccccc2)Br 1626a_100015324214_100012343961 [0,0,1,0,0,1|1,0,1]=4 618 B20R2.41171 CCc1ccc(cc1C(=O)NCc2ccccc2)Br 240690a_100015324214_100012343961 [0,0,1,0,0,1|1,0,1]=4 619 B20R2.41171 CCc1ccc(cc1C(=O)NCc2ccccc2)Br 527a_100015324214_100012343961 [0,0,1,0,0,1|1,0,1]=4 620 B20R2.41171 COc1ccc(cc1C(=O)CCc2ccccc2)Br 1458a_100000188853_100000765856 [0,0,1,0,0,1|2,0,0]=4 621 B20R2.41171 COc1ccc(cc1C(=O)CNc2ccccc2)Br 34a_100000106764_200000749383 [0,0,1,0,0,1|2,0,0]=4 622 B20R2.41171 COc1ccc(cc1C(=O)COc2ccccc2)Br 34a_100000210340_200000749383 [0,0,1,0,0,1|2,0,0]=4 623 B20R2.41171 COc1ccc(cc1C(=O)COc2ccccc2)Br 7a_100000210340_200000749383 [0,0,1,0,0,1|2,0,0]=4 624 B20R2.41171 COc1ccc(cc1C(=O)CSc2ccccc2)Br 62a_200000749383_100000041952 [0,0,1,0,0,1|2,0,0]=4 625 B20R2.41171 COc1ccc(cc1C(=O)NCc2ccccc2)Br 11a_100015324214_100000188853 [0,0,1,0,0,1|2,0,0]=4 626 B20R2.41171 COc1ccc(cc1C(=O)NCc2ccccc2)Br 1626a_100015324214_100000188853 [0,0,1,0,0,1|2,0,0]=4 627 B20R2.41171 COc1ccc(cc1C(=O)NCc2ccccc2)Br 240690a_100015324214_100000188853 [0,0,1,0,0,1|2,0,0]=4 628 B20R2.41171 COc1ccc(cc1C(=O)NCc2ccccc2)Br 527a_100015324214_100000188853 [0,0,1,0,0,1|2,0,0]=4 629 B20R2.2976 CC(Cc1ccccc1)Sc2ccc(cc2C=O)Br 62a_100010185651_200011218536 [0,0,1,0,0,1|1,0,1]=4 630 B20R2.2976 CC(Cc1ccccc1)Sc2ccc(cc2C=O)Br 62a_200011218536_100010185651 [0,0,1,0,0,1|1,0,1]=4 631 B20R2.2976 COc1cc(ccc1CC(=O)Cc2ccccc2)Br 1458a_100010245118_100015291786 [0,0,1,0,0,1|2,0,0]=4 632 B20R2.2976 O=Cc1cc(ccc1CC(=O)C[n+]2ccccc2)F 1458a_200000086051_100010132769 [0,0,1,0,0,1|1,1,0]=4 633 B20R2.2976 O=Cc1cc(ccc1CC(=O)Cc2ccccn2)F 1458a_100000233486_100010132769 [0,0,1,0,0,1|1,1,0]=4 634 B20R2.2976 O=Cc1cc(ccc1CC(=O)Cc2cccnc2)F 1458a_100000737805_100010132769 [0,0,1,0,0,1|1,1,0]=4 635 B20R2.2983 CCc1cc(ccc1C(=O)CCc2ccccc2)Br 1458a_200012349896_100000765856 [0,0,1,0,0,1|1,0,1]=4 636 B20R2.2983 CCc1cc(ccc1C(=O)NCc2ccccc2)Br 11a_100015324214_200012349896 [0,0,1,0,0,1|1,0,1]=4 637 B20R2.2983 CCc1cc(ccc1C(=O)NCc2ccccc2)Br 1626a_100015324214_200012349896 [0,0,1,0,0,1|1,0,1]=4 638 B20R2.2983 CCc1cc(ccc1C(=O)NCc2ccccc2)Br 240690a_100015324214_200012349896 [0,0,1,0,0,1|1,0,1]=4 639 B20R2.2983 CCc1cc(ccc1C(=O)NCc2ccccc2)Br 527a_100015324214_200012349896 [0,0,1,0,0,1|1,0,1]=4 640 B20R2.2983 COc1cc(ccc1C(=O)CCc2ccccc2)Br 1458a_100000748230_100000765856 [0,0,1,0,0,1|2,0,0]=4 641 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 11a_100015324214_100000748230 [0,0,1,0,0,1|2,0,0]=4 642 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 1626a_100015324214_100000748230 [0,0,1,0,0,1|2,0,0]=4 643 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 240690a_100015324214_100000748230 [0,0,1,0,0,1|2,0,0]=4 644 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 527a_100015324214_100000748230 [0,0,1,0,0,1|2,0,0]=4 645 B20R2.2983 N#Cc1cc(ccc1C(=O)CCc2ccccc2)Br 1458a_100012349539_100000765856 [0,0,1,0,0,1|1,0,1]=4 646 B20R2.2983 N#Cc1cc(ccc1C(=O)NCc2ccccc2)Br 11a_100015324214_100012349539 [0,0,1,0,0,1|1,0,1]=4 647 B20R2.2983 N#Cc1cc(ccc1C(=O)NCc2ccccc2)Br 240690a_100015324214_100012349539 [0,0,1,0,0,1|1,0,1]=4 648 B20R2.2983 O=C(CCc1ccccc1)c2ccc(cc2CO)Br 1458a_100010253900_100000765856 [0,0,1,0,0,1|0,0,2]=4 649 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccccc3 62a_100000719477_200009813996 [1,0,0,0,0,1|0,0,0]=2 650 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccccc3 62a_200009813996_100000041952 [1,0,0,0,0,1|0,0,0]=2 651 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccccn3 62a_100011216584_200009813996 [1,0,0,0,0,1|1,0,0]=3 652 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccccn3 62a_200009813996_100011216584 [1,0,0,0,0,1|1,0,0]=3 653 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cccnc3 62a_100000210063_200009813996 [1,0,0,0,0,1|1,0,0]=3 654 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cccnc3 62a_200009813996_100000210063 [1,0,0,0,0,1|1,0,0]=3 655 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cccnn3 62a_100016991348_200009813996 [1,0,0,0,0,1|2,0,0]=4 656 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cccnn3 62a_200009813996_100016991348 [1,0,0,0,0,1|2,0,0]=4 657 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccncc3 62a_100000728582_200009813996 [1,0,0,0,0,1|1,0,0]=3 658 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccncc3 62a_200009813996_100000728582 [1,0,0,0,0,1|1,0,0]=3 659 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccncn3 62a_100000703185_200009813996 [1,0,0,0,0,1|2,0,0]=4 660 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccncn3 62a_200009813996_100000703185 [1,0,0,0,0,1|2,0,0]=4 661 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccnnc3 62a_100000732662_200009813996 [1,0,0,0,0,1|2,0,0]=4 662 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ccnnc3 62a_200009813996_100000732662 [1,0,0,0,0,1|2,0,0]=4 663 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cnccn3 62a_100000211759_200009813996 [1,0,0,0,0,1|2,0,0]=4 664 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cnccn3 62a_200009813996_100000211759 [1,0,0,0,0,1|2,0,0]=4 665 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cncnc3 62a_100011206942_200009813996 [1,0,0,0,0,1|2,0,0]=4 666 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3cncnc3 62a_200009813996_100011206942 [1,0,0,0,0,1|2,0,0]=4 667 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ncccn3 62a_100000211032_200009813996 [1,0,0,0,0,1|2,0,0]=4 668 B20R3.8816 O=C1c2ccccc2C(=O)C1Sc3ncccn3 62a_200009813996_100000211032 [1,0,0,0,0,1|2,0,0]=4 669 B20R3.93401 O=C1c2cc(ccc2OC1Sc3ccccc3)Br 62a_100000719477_100011071988 [1,0,0,0,0,1|1,0,0]=3 670 B20R3.93401 O=C1c2cc(ccc2OC1Sc3ccccn3)Br 62a_100011216584_100011071988 [1,0,0,0,0,1|2,0,0]=4 671 B20R3.93401 O=C1c2cc(ccc2OC1Sc3cccnc3)Br 62a_100000210063_100011071988 [1,0,0,0,0,1|2,0,0]=4 672 B20R3.93401 O=C1c2cc(ccc2OC1Sc3ccncc3)Br 62a_100000728582_100011071988 [1,0,0,0,0,1|2,0,0]=4