0 B25R3.32645266 O=C(CCCCCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100011218729 [0,0,0,0,0,0|3,0,0]=3 1 B25R3.32645266 O=C(CCCCCCc1ccccc1)C2Cc3ccccc3C2 1458a_100000036270_100000753484 [0,0,0,0,0,0|3,0,1]=4 2 B25R3.32645266 O=C(CCCCCCc1ccccc1)C2Cc3ccccc3C2 1458a_100000685393_100011218729 [0,0,0,0,0,0|3,0,1]=4 3 B25R3.32645266 O=C(CCCCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100011218729 [0,0,0,0,0,0|2,0,1]=3 4 B25R3.32645266 O=C(CCCCCCc1ccccc1)C2Cc3ccccc3S2 1458a_100000024912_100011218729 [0,0,0,0,0,0|2,1,1]=4 5 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3ccccc3C2 11a_100000752595_100000036270 [0,0,0,0,0,0|4,0,0]=4 6 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3ccccc3C2 1626a_100000752595_100000036270 [0,0,0,0,0,0|4,0,0]=4 7 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3ccccc3C2 240690a_100000752595_100000036270 [0,0,0,0,0,0|4,0,0]=4 8 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3ccccc3C2 527a_100000752595_100000036270 [0,0,0,0,0,0|4,0,0]=4 9 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000036270 [0,0,0,0,0,0|3,0,0]=3 10 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000036270 [0,0,0,0,0,0|3,0,0]=3 11 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000036270 [0,0,0,0,0,0|3,0,0]=3 12 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000036270 [0,0,0,0,0,0|3,0,0]=3 13 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cncnc3C2 11a_100015200256_100000036270 [0,0,0,0,0,0|4,0,0]=4 14 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cncnc3C2 240690a_100015200256_100000036270 [0,0,0,0,0,0|4,0,0]=4 15 B25R3.32645266 O=C(CCCCCCc1ccccc1)N2Cc3cncnc3C2 527a_100015200256_100000036270 [0,0,0,0,0,0|4,0,0]=4 16 B25R3.32645266 O=C(CCCCCOc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200011777167 [0,0,0,0,0,0|4,0,0]=4 17 B25R3.32645266 O=C(CCCCCOc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200011777167 [0,0,0,0,0,0|3,0,1]=4 18 B25R3.32645266 O=C(CCCCOCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100011219843 [0,0,0,0,0,0|4,0,0]=4 19 B25R3.32645266 O=C(CCCCOCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100011219843 [0,0,0,0,0,0|3,0,1]=4 20 B25R3.32645266 O=C(CNCCCCc1ccccc1)c2cc3ccccc3s2 2230a_100015280158_100012351422 [0,0,0,0,0,0|3,1,0]=4 21 B25R3.32645266 O=C(CNCCCCc1ccccc1)c2nc3ccccc3s2 2230a_100015280158_100000198972 [0,0,0,0,0,0|2,1,0]=3 22 B25R3.32645266 O=C(CNCCCOc1ccccc1)c2nc3ccccc3s2 2230a_100000216521_100000198972 [0,0,0,0,0,0|3,1,0]=4 23 B25R3.32645266 O=C(CNCCCSc1ccccc1)c2nc3ccccc3s2 2230a_100000184639_100000198972 [0,0,0,0,0,0|3,1,0]=4 24 B25R3.32645266 O=C(CNCCOCc1ccccc1)c2nc3ccccc3s2 2230a_100000753106_100000198972 [0,0,0,0,0,0|3,1,0]=4 25 B25R3.32645266 O=C(CNCCSCc1ccccc1)c2nc3ccccc3s2 2230a_100000189534_100000198972 [0,0,0,0,0,0|3,1,0]=4 26 B25R3.32645266 O=C(COCCCCc1ccccc1)c2cc3ccccc3s2 7a_100000703073_100012351422 [0,0,0,0,0,0|3,1,0]=4 27 B25R3.32645266 O=C(CSCCCCc1ccccc1)c2cc3ccccc3o2 62a_100000701786_100000209828 [0,0,0,0,0,0|3,0,0]=3 28 B25R3.32645266 O=C(CSCCCCc1ccccc1)c2cc3ccccc3s2 62a_100012351422_100000701786 [0,0,0,0,0,0|3,1,0]=4 29 B25R3.32645266 O=C(CSCCCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000701786 [0,0,0,0,0,0|2,1,0]=3 30 B25R3.32645266 O=C(CSCCCCc1ccncc1)c2cc3ccccc3o2 62a_100020630000_100000209828 [0,0,0,0,0,0|4,0,0]=4 31 B25R3.32645266 O=C(CSCCCCc1ccncc1)c2nc3ccccc3s2 62a_100000198972_100020630000 [0,0,0,0,0,0|3,1,0]=4 32 B25R3.32645266 O=C(CSCCCOc1ccccc1)c2cc3ccccc3o2 62a_100000199009_100000209828 [0,0,0,0,0,0|4,0,0]=4 33 B25R3.32645266 O=C(CSCCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000199009 [0,0,0,0,0,0|3,1,0]=4 34 B25R3.32645266 O=C(CSCCCSc1ccccc1)c2cc3ccccc3o2 62a_200011203293_100000209828 [0,0,0,0,0,0|4,0,0]=4 35 B25R3.32645266 O=C(CSCCCSc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011203293 [0,0,0,0,0,0|3,1,0]=4 36 B25R3.32645266 O=C(CSCCOCc1ccccc1)c2cc3ccccc3o2 62a_100000234347_100000209828 [0,0,0,0,0,0|4,0,0]=4 37 B25R3.32645266 O=C(CSCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000234347 [0,0,0,0,0,0|3,1,0]=4 38 B25R3.32645266 O=C(CSCCSCc1ccccc1)c2cc3ccccc3o2 62a_200011297719_100000209828 [0,0,0,0,0,0|4,0,0]=4 39 B25R3.32645266 O=C(CSCCSCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011297719 [0,0,0,0,0,0|3,1,0]=4 40 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3C2 11a_100000750932_100009862756 [0,0,0,0,0,0|4,0,0]=4 41 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3C2 1626a_100000750932_100009862756 [0,0,0,0,0,0|4,0,0]=4 42 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3C2 240690a_100000750932_100009862756 [0,0,0,0,0,0|4,0,0]=4 43 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2Cc3ccccc3O2 11a_100000750932_100000209886 [0,0,0,0,0,0|3,0,1]=4 44 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2Cc3ccccc3O2 1626a_100000750932_100000209886 [0,0,0,0,0,0|3,0,1]=4 45 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2Cc3ccccc3O2 240690a_100000750932_100000209886 [0,0,0,0,0,0|3,0,1]=4 46 B25R3.32645266 O=C(NCCCCCc1ccccc1)C2Cc3ccccc3O2 527a_100000750932_100000209886 [0,0,0,0,0,0|3,0,1]=4 47 B25R3.32645266 O=C(NCCCCCc1ccccc1)N2Cc3cccnc3C2 2708a_100000750932_100000726175 [0,0,0,0,0,0|4,0,0]=4 48 B25R3.32645266 O=C(NCCCCCc1ccccc1)N2Cc3cccnc3C2 273464a_100000750932_100000726175 [0,0,0,0,0,0|4,0,0]=4 49 B25R3.32645266 O=C(NN=CCCCc1ccccc1)c2nc3ccccc3o2 4a_200000092613_100011361547 [0,0,0,0,0,0|3,0,1]=4 50 B24R3.5034911 c1ccc(cc1)CCCCCCSc2cc3cccnc3[nH]2 62a_100011218729_100010079843 [1,0,0,0,0,0|2,0,1]=4 51 B24R3.5034911 c1ccc(cc1)CCCCCCSc2nc3ccccc3[nH]2 62a_100011218729_100009814255 [1,0,0,0,0,0|3,0,0]=4 52 B24R3.5034911 c1ccc(cc1)CCCCCCSc2nc3cccnc3s2 62a_100010188088_100011218729 [1,0,0,0,0,0|3,0,0]=4 53 B24R3.5034911 c1ccc(cc1)CCCCCCSc2nc3cccnc3s2 62a_100011218729_100010188088 [1,0,0,0,0,0|3,0,0]=4 54 B24R3.5034911 c1ccc(cc1)CCCCCNCc2cc3ncccc3o2 207a_100000750932_100000104172 [1,0,0,0,0,0|2,0,1]=4 55 B24R3.5034911 c1ccc(cc1)CCCCCNCc2cc3ncccc3o2 270004a_100000750932_100000104172 [1,0,0,0,0,0|2,0,1]=4 56 B24R3.5034911 c1ccc(cc1)CCCCCNCc2nc3ccccc3o2 2230a_100000750932_100000195508 [1,0,0,0,0,0|2,0,1]=4 57 B24R3.5034911 c1ccc(cc1)CCCCCNCc2nc3ccccc3o2 34a_100000750932_200012361514 [1,0,0,0,0,0|2,0,1]=4 58 B24R3.5034911 c1ccc(cc1)CCCCCNCc2nc3ncccc3o2 2230a_100000750932_100000696355 [1,0,0,0,0,0|1,0,1]=3 59 B24R3.5034911 c1ccc(cc1)CCCCCOCc2nc3ccccc3o2 34a_200011219639_200012361514 [1,0,0,0,0,0|2,0,1]=4 60 B24R3.5034911 c1ccc(cc1)CCCCCOCc2nc3ccccc3o2 7a_200011219639_100000195508 [1,0,0,0,0,0|2,0,1]=4 61 B24R3.5034911 c1ccc(cc1)CCCCCOCc2nc3ncccc3o2 7a_200011219639_100000696355 [1,0,0,0,0,0|1,0,1]=3 62 B24R3.5034911 c1ccc(cc1)CCCCCSCc2nc3ccccc3o2 62a_200011217138_100000195508 [1,0,0,0,0,0|2,0,1]=4 63 B24R3.5034911 c1ccc(cc1)CCCCCSCc2nc3ncccc3o2 62a_200011217138_100000696355 [1,0,0,0,0,0|1,0,1]=3 64 B24R3.5034911 c1ccc(cc1)COCCCNCc2nc3ncccc3o2 2230a_200000206031_100000696355 [1,0,0,0,0,0|2,0,1]=4 65 B24R3.5034911 c1ccc(cc1)COCCCOCc2nc3ncccc3o2 7a_100000691849_100000696355 [1,0,0,0,0,0|2,0,1]=4 66 B24R3.5034911 c1ccc(cc1)COCCCSCc2nc3ncccc3o2 62a_100011215529_100000696355 [1,0,0,0,0,0|2,0,1]=4 67 B24R3.5034911 c1ccc(cc1)OCCCCOCc2nc3ncccc3o2 7a_100000752354_100000696355 [1,0,0,0,0,0|2,0,1]=4 68 B24R3.5034911 c1ccc(cc1)OCCCCSCc2nc3ncccc3o2 62a_100011215240_100000696355 [1,0,0,0,0,0|2,0,1]=4 69 B26R3.3383575 CC1=C(Cc2c1cccc2)C(=O)CCCCCCc3ccccc3 1458a_200000242466_100011218729 [0,1,0,0,0,0|3,0,0]=4 70 B26R3.3383575 Cc1c(oc2c1cccc2)C(=O)CNCCCCc3ccccc3 2230a_100015280158_100000684729 [0,1,0,0,0,0|3,0,0]=4 71 B26R3.3383575 Cc1c(oc2c1cccc2)C(=O)CSCCCCc3ccccc3 62a_100000701786_100000684729 [0,1,0,0,0,0|3,0,0]=4 72 B26R3.16578121 O=C(CNCCCCc1ccc(cc1)Cl)c2nc3ccccc3s2 2230a_100160821348_100000198972 [0,1,0,0,0,0|2,1,0]=4 73 B26R3.16578121 O=C(CSCCCCc1ccc(cc1)F)c2cc3ccccc3o2 62a_100012093538_100000209828 [0,1,0,0,0,0|3,0,0]=4 74 B26R3.16578121 O=C(CSCCCCc1ccc(cc1)F)c2nc3ccccc3s2 62a_100000198972_100012093538 [0,1,0,0,0,0|2,1,0]=4 75 B26R3.17541786 Cc1ccc2c(c1)OC(C2)C(=O)CCCCCCc3ccccc3 1458a_100009922052_100011218729 [0,1,0,0,0,0|2,0,1]=4 76 B26R3.17541786 O=C(CCCCCCc1ccccc1)C2Cc3cc(ccc3O2)O 1458a_200009830173_100011218729 [0,1,0,0,0,0|2,0,1]=4 77 B26R3.17541786 O=C(CCCCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 11a_100016995040_100000036270 [0,1,0,0,0,0|3,0,0]=4 78 B26R3.17541786 O=C(CCCCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 1626a_100016995040_100000036270 [0,1,0,0,0,0|3,0,0]=4 79 B26R3.17541786 O=C(CCCCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 240690a_100016995040_100000036270 [0,1,0,0,0,0|3,0,0]=4 80 B26R3.17541786 O=C(CCCCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 527a_100016995040_100000036270 [0,1,0,0,0,0|3,0,0]=4 81 B26R3.17541786 O=C(CNCCCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100015280158_100010170448 [0,1,0,0,0,0|3,0,0]=4 82 B26R3.17541786 O=C(COCCCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100000703073_100010170448 [0,1,0,0,0,0|3,0,0]=4 83 B26R3.274305930 CN(CCCCc1ccccc1)CC(=O)c2cc3ccccc3o2 269982a_100000741445_100000209828 [0,1,0,0,0,0|3,0,0]=4 84 B26R3.274305930 CN(CCCCc1ccccc1)CC(=O)c2nc3ccccc3s2 2230a_100000741445_100000198972 [0,1,0,0,0,0|2,1,0]=4 85 B26R3.274305930 CN(CCCCc1ccccc1)CC(=O)c2nc3ccccc3s2 269982a_100000741445_100000198972 [0,1,0,0,0,0|2,1,0]=4 86 B26R3.274305930 O=C(CCCCc1ccccc1)CC(=O)c2cc3ccccc3o2 1458a_100011215911_100000209828 [0,1,0,0,0,0|2,0,1]=4 87 B26R3.274338162 CC(CCCc1ccccc1)SCC(=O)c2cc3ccccc3o2 62a_200010759516_100000209828 [0,1,0,0,0,0|3,0,0]=4 88 B26R3.274338162 CC(CCCc1ccccc1)SCC(=O)c2nc3ccccc3s2 62a_100000198972_200010759516 [0,1,0,0,0,0|2,1,0]=4 89 B24R2.206495 Cc1ccccc1OCC(=O)CCCCCCc2ccccc2 1458a_100000182418_100011218729 [0,0,1,0,0,0|2,0,1]=4 90 B24R2.206495 Cc1cccnc1CNC(=O)CCCCCCc2ccccc2 11a_100011223789_100000036270 [0,0,1,0,0,0|3,0,0]=4 91 B24R2.206495 Cc1cccnc1CNC(=O)CCCCCCc2ccccc2 1626a_100011223789_100000036270 [0,0,1,0,0,0|3,0,0]=4 92 B24R2.206495 Cc1cccnc1CNC(=O)CCCCCCc2ccccc2 240690a_100011223789_100000036270 [0,0,1,0,0,0|3,0,0]=4 93 B24R2.206495 Cc1cccnc1CNC(=O)CCCCCCc2ccccc2 527a_100011223789_100000036270 [0,0,1,0,0,0|3,0,0]=4 94 B24R2.206495 Cc1cccnc1NNC(=O)CCCCCCc2ccccc2 22a_100000708268_100000036270 [0,0,1,0,0,0|2,0,1]=4 95 B24R2.206495 Cc1ncccc1NNC(=O)CCCCCCc2ccccc2 22a_100000730703_100000036270 [0,0,1,0,0,0|3,0,0]=4 96 B24R2.206495 O=C(C=Cc1ccccc1F)CCCCCCc2ccccc2 1458a_100016256065_100011218729 [0,0,1,0,0,0|3,0,0]=4 97 B24R2.206495 O=C(C=Cc1ccccc1O)CCCCCCc2ccccc2 1458a_100016263591_100011218729 [0,0,1,0,0,0|2,0,0]=3 98 B24R2.206495 O=C(C=Cc1ccccc1O)CCCCCOc2ccccc2 1458a_100016263591_200011777167 [0,0,1,0,0,0|3,0,0]=4 99 B24R2.206495 O=C(C=Cc1ccccc1O)CCCCOCc2ccccc2 1458a_100016263591_100011219843 [0,0,1,0,0,0|3,0,0]=4 100 B24R2.206495 O=C(CCCCCCc1ccccc1)CCc2ccccc2O 1458a_100000036270_100000722297 [0,0,1,0,0,0|2,0,1]=4 101 B24R2.206495 O=C(CCCCCCc1ccccc1)CCc2ccccc2O 1458a_100000181328_100011218729 [0,0,1,0,0,0|2,0,1]=4 102 B24R2.206495 O=C(CCCCCCc1ccccc1)COc2ccccc2Br 1458a_100000216496_100011218729 [0,0,1,0,0,0|2,0,1]=4 103 B24R2.206495 O=C(CCCCCCc1ccccc1)COc2ccccc2Cl 1458a_100000185159_100011218729 [0,0,1,0,0,0|2,0,1]=4 104 B24R2.206495 O=C(CCCCCCc1ccccc1)COc2ccccc2F 1458a_100000182486_100011218729 [0,0,1,0,0,0|2,0,1]=4 105 B24R2.206495 O=C(CCCCCCc1ccccc1)COc2ccccc2O 1458a_100000183020_100011218729 [0,0,1,0,0,0|2,0,1]=4 106 B24R2.206495 O=C(CCCCCCc1ccccc1)CSc2ccccc2O 1458a_100000695322_100011218729 [0,0,1,0,0,0|2,0,1]=4 107 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ccccc2O 240690a_100000185550_100000036270 [0,0,1,0,0,0|3,0,0]=4 108 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ccccc2O 527a_100000185550_100000036270 [0,0,1,0,0,0|3,0,0]=4 109 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Br 11a_100009818023_100000036270 [0,0,1,0,0,0|3,0,0]=4 110 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Br 240690a_100009818023_100000036270 [0,0,1,0,0,0|3,0,0]=4 111 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Br 527a_100009818023_100000036270 [0,0,1,0,0,0|3,0,0]=4 112 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Cl 11a_100015189234_100000036270 [0,0,1,0,0,0|3,0,0]=4 113 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Cl 1626a_100015189234_100000036270 [0,0,1,0,0,0|3,0,0]=4 114 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Cl 240690a_100015189234_100000036270 [0,0,1,0,0,0|3,0,0]=4 115 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2Cl 527a_100015189234_100000036270 [0,0,1,0,0,0|3,0,0]=4 116 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2F 11a_100000724633_100000036270 [0,0,1,0,0,0|3,0,0]=4 117 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2F 1626a_100000724633_100000036270 [0,0,1,0,0,0|3,0,0]=4 118 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2F 240690a_100000724633_100000036270 [0,0,1,0,0,0|3,0,0]=4 119 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2cccnc2F 527a_100000724633_100000036270 [0,0,1,0,0,0|3,0,0]=4 120 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Br 11a_100020591323_100000036270 [0,0,1,0,0,0|3,0,0]=4 121 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Br 240690a_100020591323_100000036270 [0,0,1,0,0,0|3,0,0]=4 122 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Br 527a_100020591323_100000036270 [0,0,1,0,0,0|3,0,0]=4 123 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Cl 11a_100015189233_100000036270 [0,0,1,0,0,0|3,0,0]=4 124 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Cl 1626a_100015189233_100000036270 [0,0,1,0,0,0|3,0,0]=4 125 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Cl 240690a_100015189233_100000036270 [0,0,1,0,0,0|3,0,0]=4 126 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2Cl 527a_100015189233_100000036270 [0,0,1,0,0,0|3,0,0]=4 127 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2F 11a_100000690088_100000036270 [0,0,1,0,0,0|3,0,0]=4 128 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2F 1626a_100000690088_100000036270 [0,0,1,0,0,0|3,0,0]=4 129 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2F 240690a_100000690088_100000036270 [0,0,1,0,0,0|3,0,0]=4 130 B24R2.206495 O=C(CCCCCCc1ccccc1)NCc2ncccc2F 527a_100000690088_100000036270 [0,0,1,0,0,0|3,0,0]=4 131 B24R2.206495 O=C(CCCCCCc1ccccc1)NNc2ncccc2Br 22a_100011464834_100000036270 [0,0,1,0,0,0|2,0,1]=4 132 B24R2.206495 O=C(CCCCCCc1ccccc1)NNc2ncccc2Cl 22a_100000741667_100000036270 [0,0,1,0,0,0|2,0,1]=4 133 B24R2.206495 O=C(CCCCCCc1ccccc1)NNc2ncccc2F 22a_100000717775_100000036270 [0,0,1,0,0,0|2,0,1]=4 134 B24R2.206495 O=C(CCCCCCc1ccccc1)NNc2ncccc2I 22a_100010221029_100000036270 [0,0,1,0,0,0|2,0,1]=4 135 B24R2.605735 C/C(=C\c1ccccc1)/C(=O)CCCCCCc2ccccc2 1458a_100016990649_100011218729 [0,0,1,0,0,0|3,0,0]=4 136 B24R2.605735 C/C(=C\c1ccccn1)/C(=O)CCCCCCc2ccccc2 1458a_100025712827_100011218729 [0,0,1,0,0,0|2,0,0]=3 137 B24R2.605735 C/C(=C\c1ccccn1)/C(=O)CCCCCOc2ccccc2 1458a_100025712827_200011777167 [0,0,1,0,0,0|3,0,0]=4 138 B24R2.605735 C/C(=C\c1ccccn1)/C(=O)CCCCOCc2ccccc2 1458a_100025712827_100011219843 [0,0,1,0,0,0|3,0,0]=4 139 B24R2.605735 C/C(=C\c1ccccn1)/C(=O)NCCCCCc2ccccc2 11a_100000750932_100025712827 [0,0,1,0,0,0|3,0,0]=4 140 B24R2.605735 C/C(=C\c1ccccn1)/C(=O)NCCCCCc2ccccc2 1626a_100000750932_100025712827 [0,0,1,0,0,0|3,0,0]=4 141 B24R2.605735 C/C(=C\c1ccccn1)/C(=O)NCCCCCc2ccccc2 527a_100000750932_100025712827 [0,0,1,0,0,0|3,0,0]=4 142 B24R2.605735 CC(Cc1ccccn1)C(=O)CCCCCCc2ccccc2 1458a_100012000792_100011218729 [0,0,1,0,0,0|2,0,1]=4 143 B24R2.605735 CC(Oc1ccccc1)C(=O)CCCCCCc2ccccc2 1458a_100000188414_100011218729 [0,0,1,0,0,0|2,0,1]=4 144 B24R2.605735 CC(Sc1ccccn1)C(=O)CCCCCCc2ccccc2 1458a_100000156770_100011218729 [0,0,1,0,0,0|2,0,1]=4 145 B24R2.605735 CN(Cc1ccccn1)C(=O)CCCCCCc2ccccc2 11a_100000207498_100000036270 [0,0,1,0,0,0|3,0,0]=4 146 B24R2.605735 CN(Cc1ccccn1)C(=O)CCCCCCc2ccccc2 240690a_100000207498_100000036270 [0,0,1,0,0,0|3,0,0]=4 147 B24R2.605735 CN(Cc1ccccn1)C(=O)CCCCCCc2ccccc2 527a_100000207498_100000036270 [0,0,1,0,0,0|3,0,0]=4 148 B24R2.605735 CN(Cc1cccnc1)C(=O)CCCCCCc2ccccc2 11a_100000184577_100000036270 [0,0,1,0,0,0|3,0,0]=4 149 B24R2.605735 CN(Cc1cccnc1)C(=O)CCCCCCc2ccccc2 240690a_100000184577_100000036270 [0,0,1,0,0,0|3,0,0]=4 150 B24R2.605735 CN(Cc1cccnc1)C(=O)CCCCCCc2ccccc2 527a_100000184577_100000036270 [0,0,1,0,0,0|3,0,0]=4 151 B24R2.605735 O=C(CCCCCCc1ccccc1)/C(=C\c2ccccc2)/F 1458a_100020889036_100011218729 [0,0,1,0,0,0|3,0,0]=4 152 B24R2.605735 O=C(CCCCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100011218729 [0,0,1,0,0,0|2,0,0]=3 153 B24R2.605735 O=C(CCCCCCc1ccccc1)C(=O)Nc2ccccc2 1458a_100000738435_100011218729 [0,0,1,0,0,0|1,0,2]=4 154 B24R2.605735 O=C(CCCCCCc1ccccc1)[C@H](O)Cc2ccccc2 1458a_100009816399_100011218729 [0,0,1,0,0,0|2,0,1]=4 155 B24R2.605735 O=C(CCCCCOc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200011777167 [0,0,1,0,0,0|3,0,0]=4 156 B24R2.605735 O=C(CCCCOCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100011219843 [0,0,1,0,0,0|3,0,0]=4 157 B24R2.605735 O=C(NCCCCCc1ccccc1)C(=Cc2cccnc2)F 11a_100000750932_100000731744 [0,0,1,0,0,0|3,0,0]=4 158 B24R2.605735 O=C(NCCCCCc1ccccc1)C(=Cc2cccnc2)F 240690a_100000750932_100000731744 [0,0,1,0,0,0|3,0,0]=4 159 B24R2.605735 O=C(NCCCCCc1ccccc1)C(=Cc2cccnc2)F 527a_100000750932_100000731744 [0,0,1,0,0,0|3,0,0]=4 160 B26R4.1603427 O=C(CNCC1CCc2c1cccc2)c3nc4ccccc4s3 2230a_100020632452_100000198972 [0,0,0,1,0,0|2,1,0]=4 161 B26R4.4071071 O=C(CN1CCCC1c2ccccc2)c3cc4ccccc4o3 269982a_100000243309_100000209828 [0,0,0,1,0,0|3,0,0]=4 162 B26R4.4071071 O=C(CN1CCCC1c2ccccc2)c3nc4ccccc4s3 2230a_100000243309_100000198972 [0,0,0,1,0,0|2,1,0]=4 163 B26R4.4071071 O=C(CN1CCCC1c2ccccc2)c3nc4ccccc4s3 269982a_100000243309_100000198972 [0,0,0,1,0,0|2,1,0]=4 164 B24R3.449484 O=C(CCCCCCc1ccccc1)C2Cc3c2cccc3 1458a_200000238571_100011218729 [0,0,0,0,1,0|2,0,1]=4 165 B24R3.28951759 O=C(CCCCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200011217138 [0,0,0,0,1,0|3,0,0]=4 166 B24R3.28951759 O=C(CCCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200011217138 [0,0,0,0,1,0|2,0,1]=4 167 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100011216832 [0,0,0,0,1,0|3,0,0]=4 168 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100011216832 [0,0,0,0,1,0|3,0,0]=4 169 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100011216832 [0,0,0,0,1,0|3,0,0]=4 170 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100011216832 [0,0,0,0,1,0|3,0,0]=4 171 B24R3.28951759 O=C(CNCCCc1ccccc1)c2nc3ccccc3s2 2230a_100000211184_100000198972 [0,0,0,0,1,0|2,1,0]=4 172 B24R3.28951759 O=C(CSCCCc1ccccc1)c2cc3ccccc3o2 62a_100000211621_100000209828 [0,0,0,0,1,0|3,0,0]=4 173 B24R3.28951759 O=C(CSCCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000211621 [0,0,0,0,1,0|2,1,0]=4 174 B26R3.4549812 O=C(CCCCCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100011218729 [0,0,0,0,0,1|2,0,0]=3 175 B26R3.4549812 O=C(CCCCCCc1ccccc1)C2CCc3ccccc3O2 1458a_100000065239_100011218729 [0,0,0,0,0,1|2,0,1]=4 176 B26R3.4549812 O=C(CCCCCCc1ccccc1)C2COc3ccccc3C2 1458a_100000203760_100011218729 [0,0,0,0,0,1|2,0,1]=4 177 B26R3.4549812 O=C(CCCCCCc1ccccc1)C2COc3ccccc3O2 1458a_100000182656_100011218729 [0,0,0,0,0,1|2,0,1]=4 178 B26R3.4549812 O=C(CCCCCCc1ccccc1)C2Cc3ccccc3CO2 1458a_100009880028_100011218729 [0,0,0,0,0,1|2,0,1]=4 179 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3cccnc3C2 11a_100015206102_100000036270 [0,0,0,0,0,1|3,0,0]=4 180 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3cccnc3C2 1626a_100015206102_100000036270 [0,0,0,0,0,1|3,0,0]=4 181 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3cccnc3C2 240690a_100015206102_100000036270 [0,0,0,0,0,1|3,0,0]=4 182 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3cccnc3C2 527a_100015206102_100000036270 [0,0,0,0,0,1|3,0,0]=4 183 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3ncccc3C2 11a_100000699647_100000036270 [0,0,0,0,0,1|3,0,0]=4 184 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3ncccc3C2 240690a_100000699647_100000036270 [0,0,0,0,0,1|3,0,0]=4 185 B26R3.4549812 O=C(CCCCCCc1ccccc1)N2CCc3ncccc3C2 527a_100000699647_100000036270 [0,0,0,0,0,1|3,0,0]=4 186 B26R3.4549812 O=C(CCCCCCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100011218729 [0,0,0,0,0,1|2,0,0]=3 187 B26R3.4549812 O=C(CCCCCCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100011218729 [0,0,0,0,0,1|2,0,0]=3 188 B26R3.4549812 O=C(CCCCCCc1ccccc1)c2ccc3nccnc3c2 1458a_100000184533_100011218729 [0,0,0,0,0,1|3,0,0]=4 189 B26R3.4549812 O=C(CCCCCOc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200011777167 [0,0,0,0,0,1|3,0,0]=4 190 B26R3.4549812 O=C(CCCCCOc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200011777167 [0,0,0,0,0,1|3,0,0]=4 191 B26R3.4549812 O=C(CCCCCOc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200011777167 [0,0,0,0,0,1|3,0,0]=4 192 B26R3.4549812 O=C(CCCCOCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100011219843 [0,0,0,0,0,1|3,0,0]=4 193 B26R3.4549812 O=C(CCCCOCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100011219843 [0,0,0,0,0,1|3,0,0]=4 194 B26R3.4549812 O=C(CCCCOCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100011219843 [0,0,0,0,0,1|3,0,0]=4 195 B26R3.4549812 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3OC2 11a_100000750932_100000018039 [0,0,0,0,0,1|3,0,0]=4 196 B26R3.4549812 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3OC2 1626a_100000750932_100000018039 [0,0,0,0,0,1|3,0,0]=4 197 B26R3.4549812 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3OC2 240690a_100000750932_100000018039 [0,0,0,0,0,1|3,0,0]=4 198 B26R3.4549812 O=C(NCCCCCc1ccccc1)C2=Cc3ccccc3OC2 527a_100000750932_100000018039 [0,0,0,0,0,1|3,0,0]=4 199 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3cccnc3c2 11a_100000750932_100011933907 [0,0,0,0,0,1|3,0,0]=4 200 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3cccnc3c2 1626a_100000750932_100011933907 [0,0,0,0,0,1|3,0,0]=4 201 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3cccnc3c2 240690a_100000750932_100011933907 [0,0,0,0,0,1|3,0,0]=4 202 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3cccnc3c2 527a_100000750932_100011933907 [0,0,0,0,0,1|3,0,0]=4 203 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3ncccc3c2 11a_100000750932_100011216044 [0,0,0,0,0,1|3,0,0]=4 204 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3ncccc3c2 1626a_100000750932_100011216044 [0,0,0,0,0,1|3,0,0]=4 205 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3ncccc3c2 240690a_100000750932_100011216044 [0,0,0,0,0,1|3,0,0]=4 206 B26R3.4549812 O=C(NCCCCCc1ccccc1)c2ccc3ncccc3c2 527a_100000750932_100011216044 [0,0,0,0,0,1|3,0,0]=4 207 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100011218729 [0,0,0,0,0,1|2,0,0]=3 208 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2cn3ccccc3n2 1458a_100000036270_100000689847 [0,0,0,0,0,1|3,0,0]=4 209 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100000036270_100000737899 [0,0,0,0,0,1|2,0,0]=3 210 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100000036270_100000195508 [0,0,0,0,0,1|1,0,0]=2 211 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100011218729 [0,0,0,0,0,1|1,0,0]=2 212 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2nc3ccccc3s2 1458a_100000036270_100011217541 [0,0,0,0,0,1|1,1,0]=3 213 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000036270_100011549802 [0,0,0,0,0,1|1,0,1]=3 214 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100000036270_100000696355 [0,0,0,0,0,1|0,0,0]=1 215 B26R3.39763824 O=C(CCCCCCc1ccccc1)Cn2cc3ccccc3n2 1458a_100000060251_100011218729 [0,0,0,0,0,1|3,0,0]=4 216 B26R3.39763824 O=C(CCCCCOc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_200011777167 [0,0,0,0,0,1|3,0,0]=4 217 B26R3.39763824 O=C(CCCCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200011777167 [0,0,0,0,0,1|2,0,0]=3 218 B26R3.39763824 O=C(CCCCOCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100011219843 [0,0,0,0,0,1|3,0,0]=4 219 B26R3.39763824 O=C(CCCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100011219843 [0,0,0,0,0,1|2,0,0]=3 220 B26R3.39763824 O=C(CCCCSSc1ccccn1)Cc2nc3ncccc3o2 1458a_200010996202_100000696355 [0,0,0,0,0,1|3,0,0]=4 221 B26R3.39763824 O=C(CCNCCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100000211184_200011213626 [0,0,0,0,0,1|2,1,0]=4 222 B26R3.39763824 O=C(CCOCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000210828_200011213626 [0,0,0,0,0,1|2,1,0]=4 223 B26R3.39763824 O=C(CNCCCCc1ccccc1)Nc2nc3ccccc3[nH]2 2230a_100015280158_100011353410 [0,0,0,0,0,1|3,0,0]=4 224 B26R3.39763824 O=C(CNCCCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100015280158_100000752643 [0,0,0,0,0,1|2,1,0]=4 225 B26R3.39763824 O=C(COCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000703073_100000752643 [0,0,0,0,0,1|2,1,0]=4 226 B26R3.39763824 O=C(COCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100012357824_100000195508 [0,0,0,0,0,1|3,0,0]=4 227 B26R3.39763824 O=C(COCCOCc1ccccc1)Cc2nc3ncccc3o2 1458a_100012357824_100000696355 [0,0,0,0,0,1|2,0,0]=3 228 B26R3.39763824 O=C(Cc1cc2ccccc2o1)NCCCCCc3ccccc3 11a_100000750932_100000735538 [0,0,0,0,0,1|3,0,0]=4 229 B26R3.39763824 O=C(Cc1cc2ccccc2o1)NCCCCCc3ccccc3 240690a_100000750932_100000735538 [0,0,0,0,0,1|3,0,0]=4 230 B26R3.39763824 O=C(Cc1nc2ccccc2[nH]1)NCCCCCc3ccccc3 240690a_100000750932_100000188031 [0,0,0,0,0,1|3,0,0]=4 231 B26R3.39763824 O=C(Cc1nc2ccccc2s1)NCCCCCc3ccccc3 240690a_100000750932_100000747980 [0,0,0,0,0,1|2,1,0]=4 232 B26R3.39785884 O=C(CCCCCCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200009813472 [0,0,0,0,0,1|3,0,0]=4 233 B26R3.39785884 O=C(CCCCCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200009813472 [0,0,0,0,0,1|2,0,1]=4 234 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_200000034917 [0,0,0,0,0,1|3,0,0]=4 235 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_200000034917 [0,0,0,0,0,1|3,0,0]=4 236 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_200000034917 [0,0,0,0,0,1|3,0,0]=4 237 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_200000034917 [0,0,0,0,0,1|3,0,0]=4 238 B26R3.39785884 O=C(CCCCCCOc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200012047174 [0,0,0,0,0,1|3,0,0]=4 239 B26R3.39785884 O=C(CCCCCCOc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200012047174 [0,0,0,0,0,1|2,0,1]=4 240 B26R3.39785884 O=C(CCCCCOCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100012032903 [0,0,0,0,0,1|3,0,0]=4 241 B26R3.39785884 O=C(CCCCCOCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100012032903 [0,0,0,0,0,1|2,0,1]=4 242 B26R3.39785884 O=C(CNCCCCCc1ccccc1)c2cc3ccccc3s2 2230a_100000750932_100012351422 [0,0,0,0,0,1|2,1,0]=4 243 B26R3.39785884 O=C(CNCCCCCc1ccccc1)c2nc3ccccc3s2 2230a_100000750932_100000198972 [0,0,0,0,0,1|1,1,0]=3 244 B26R3.39785884 O=C(CNCCCOCc1ccccc1)c2nc3ccccc3s2 2230a_200000206031_100000198972 [0,0,0,0,0,1|2,1,0]=4 245 B26R3.39785884 O=C(COCCCCCc1ccccc1)c2cc3ccccc3s2 7a_200011219639_100012351422 [0,0,0,0,0,1|2,1,0]=4 246 B26R3.39785884 O=C(CSCCCCCc1ccccc1)c2cc3ccccc3o2 62a_200011217138_100000209828 [0,0,0,0,0,1|2,0,0]=3 247 B26R3.39785884 O=C(CSCCCCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011217138 [0,0,0,0,0,1|1,1,0]=3 248 B26R3.39785884 O=C(CSCCCCOc1ccccc1)c2cc3ccccc3o2 62a_100011215240_100000209828 [0,0,0,0,0,1|3,0,0]=4 249 B26R3.39785884 O=C(CSCCCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011215240 [0,0,0,0,0,1|2,1,0]=4 250 B26R3.39785884 O=C(CSCCCOCc1ccccc1)c2cc3ccccc3o2 62a_100011215529_100000209828 [0,0,0,0,0,1|3,0,0]=4 251 B26R3.39785884 O=C(CSCCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011215529 [0,0,0,0,0,1|2,1,0]=4 252 B23R2.478121 O=C(C#Cc1ccccn1)CCCCCCc2ccccc2 1458a_102125277312_100011218729 [1,0,1,0,0,0|1,0,1]=4 253 B23R2.478121 O=C(C=Cc1ccccc1)CCCCCCc2ccccc2 1458a_100000210462_100011218729 [1,0,1,0,0,0|2,0,0]=4 254 B23R2.478121 O=C(C=Cc1ccccn1)CCCCCCc2ccccc2 1458a_100000740811_100011218729 [1,0,1,0,0,0|1,0,0]=3 255 B23R2.478121 O=C(C=Cc1ccccn1)CCCCCOc2ccccc2 1458a_100000740811_200011777167 [1,0,1,0,0,0|2,0,0]=4 256 B23R2.478121 O=C(C=Cc1ccccn1)CCCCOCc2ccccc2 1458a_100000740811_100011219843 [1,0,1,0,0,0|2,0,0]=4 257 B23R2.478121 O=C(C=Cc1ccccn1)NCCCCCc2ccccc2 11a_100000750932_100000740811 [1,0,1,0,0,0|2,0,0]=4 258 B23R2.478121 O=C(C=Cc1ccccn1)NCCCCCc2ccccc2 240690a_100000750932_100000740811 [1,0,1,0,0,0|2,0,0]=4 259 B23R2.478121 O=C(C=Cc1cccnc1)CCCCCCc2ccccc2 1458a_100000735890_100011218729 [1,0,1,0,0,0|1,0,0]=3 260 B23R2.478121 O=C(C=Cc1cccnc1)CCCCCOc2ccccc2 1458a_100000735890_200011777167 [1,0,1,0,0,0|2,0,0]=4 261 B23R2.478121 O=C(C=Cc1cccnc1)CCCCOCc2ccccc2 1458a_100000735890_100011219843 [1,0,1,0,0,0|2,0,0]=4 262 B23R2.478121 O=C(C=Cc1cccnc1)NCCCCCc2ccccc2 11a_100000750932_100000735890 [1,0,1,0,0,0|2,0,0]=4 263 B23R2.478121 O=C(C=Cc1cccnc1)NCCCCCc2ccccc2 240690a_100000750932_100000735890 [1,0,1,0,0,0|2,0,0]=4 264 B23R2.478121 O=C(CCCCCCc1ccccc1)CCc2ccccn2 1458a_100000036270_100015183660 [1,0,1,0,0,0|1,0,1]=4 265 B23R2.478121 O=C(CCCCCCc1ccccc1)CCc2ccccn2 1458a_100015195070_100011218729 [1,0,1,0,0,0|1,0,1]=4 266 B23R2.478121 O=C(CCCCCCc1ccccc1)CCc2cccnc2 1458a_100000036270_200011713674 [1,0,1,0,0,0|1,0,1]=4 267 B23R2.478121 O=C(CCCCCCc1ccccc1)CCc2cccnc2 1458a_100000198484_100011218729 [1,0,1,0,0,0|1,0,1]=4 268 B23R2.478121 O=C(CCCCCCc1ccccc1)COc2ccccc2 1458a_100000186222_100011218729 [1,0,1,0,0,0|1,0,1]=4 269 B23R2.478121 O=C(CCCCCCc1ccccc1)COc2ccccn2 1458a_100102699861_100011218729 [1,0,1,0,0,0|1,0,1]=4 270 B23R2.478121 O=C(CCCCCCc1ccccc1)COc2cccnc2 1458a_100015207166_100011218729 [1,0,1,0,0,0|0,0,1]=3 271 B23R2.478121 O=C(CCCCCCc1ccccc1)CSc2ccccn2 1458a_100000156281_100011218729 [1,0,1,0,0,0|1,0,1]=4 272 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2ccccn2 11a_100000210449_100000036270 [1,0,1,0,0,0|2,0,0]=4 273 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2ccccn2 1626a_100000210449_100000036270 [1,0,1,0,0,0|2,0,0]=4 274 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2ccccn2 240690a_100000210449_100000036270 [1,0,1,0,0,0|2,0,0]=4 275 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2ccccn2 527a_100000210449_100000036270 [1,0,1,0,0,0|2,0,0]=4 276 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2cccnc2 11a_100000210453_100000036270 [1,0,1,0,0,0|2,0,0]=4 277 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2cccnc2 240690a_100000210453_100000036270 [1,0,1,0,0,0|2,0,0]=4 278 B23R2.478121 O=C(CCCCCCc1ccccc1)NCc2cccnc2 527a_100000210453_100000036270 [1,0,1,0,0,0|2,0,0]=4 279 B23R2.478121 O=C(CCCCCCc1ccccc1)NNc2ccccn2 22a_100000183288_100000036270 [1,0,1,0,0,0|1,0,1]=4 280 B23R2.478121 O=C(CCCCCCc1ccccc1)NNc2cccnc2 22a_100000728903_100000036270 [1,0,1,0,0,0|2,0,0]=4 281 B23R2.478121 O=C(CCCCCOc1ccccc1)COc2cccnc2 1458a_100015207166_200011777167 [1,0,1,0,0,0|1,0,1]=4 282 B23R2.478121 O=C(CCCCOCc1ccccc1)COc2cccnc2 1458a_100015207166_100011219843 [1,0,1,0,0,0|1,0,1]=4 283 B23R2.478121 O=C(COc1cccnc1)NCCCCCc2ccccc2 11a_100000750932_100015207166 [1,0,1,0,0,0|1,0,1]=4 284 B23R2.478121 O=C(COc1cccnc1)NCCCCCc2ccccc2 1626a_100000750932_100015207166 [1,0,1,0,0,0|1,0,1]=4 285 B23R2.478121 O=C(COc1cccnc1)NCCCCCc2ccccc2 240690a_100000750932_100015207166 [1,0,1,0,0,0|1,0,1]=4 286 B23R2.478121 O=C(COc1cccnc1)NCCCCCc2ccccc2 527a_100000750932_100015207166 [1,0,1,0,0,0|1,0,1]=4 287 B25R2.132909 COc1ccccc1C=CC(=O)CCCCCCc2ccccc2 1458a_100000182468_100011218729 [0,1,1,0,0,0|2,0,0]=4 288 B25R2.132909 COc1cccnc1NNC(=O)CCCCCCc2ccccc2 22a_100012020716_100000036270 [0,1,1,0,0,0|1,0,1]=4 289 B25R2.132909 COc1ncccc1C=CC(=O)CCCCCCc2ccccc2 1458a_100102601226_100011218729 [0,1,1,0,0,0|2,0,0]=4 290 B25R2.195874 O=C(CCCCCCc1ccccc1)C(=O)Nc2ccc(cn2)Cl 1458a_100011297360_100011218729 [0,1,1,0,0,0|0,0,2]=4 291 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100011216832_100000696355 [1,1,0,0,0,0|0,0,2]=4 292 B27R3.3734015 O=C(CCCCCCc1ccccc1)c2ccc3cccnc3c2O 1458a_100000036822_100011218729 [0,1,0,0,0,1|2,0,0]=4 293 B27R3.20376009 O=C(CCCCCCc1ccccc1)C2=Cc3cc(ccc3OC2)Br 1458a_100000735388_100011218729 [0,1,0,0,0,1|2,0,0]=4 294 B27R3.20376009 O=C(CCCCCCc1ccccc1)C2=Cc3cc(ccc3OC2)Cl 1458a_100000020880_100011218729 [0,1,0,0,0,1|2,0,0]=4 295 B27R3.20390035 Cc1ccc2cc(ccc2n1)C(=O)CCCCCCc3ccccc3 1458a_100000691375_100011218729 [0,1,0,0,0,1|2,0,0]=4 296 B27R3.20390035 O=C(CCCCCCc1ccccc1)c2ccc3nc(ccc3c2)O 1458a_100015838258_100011218729 [0,1,0,0,0,1|2,0,0]=4 297 B27R3.38933506 O=C(CCCCCCc1ccccc1)c2cc(c3ncccc3c2)O 1458a_200009880037_100011218729 [0,1,0,0,0,1|2,0,0]=4 298 B27R3.3735830 Cn1c(nc2c1cccc2)CC(=O)CCCCCCc3ccccc3 1458a_100000036270_100000748711 [0,1,0,0,0,1|2,0,0]=4 299 B27R3.20475279 Cc1ccc2nc([nH]c2c1)CC(=O)CCCCCCc3ccccc3 1458a_100000036270_100020603265 [0,1,0,0,0,1|2,0,0]=4 300 B27R3.20475279 Cc1ccc2nc(oc2c1)CC(=O)CCCCCCc3ccccc3 1458a_100000036270_100011295139 [0,1,0,0,0,1|1,0,0]=3 301 B27R3.20475279 Cc1ccc2oc(nc2c1)CC(=O)CCCCCCc3ccccc3 1458a_100000036270_100011374149 [0,1,0,0,0,1|1,0,0]=3 302 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3cc(ccc3[nH]2)Br 1458a_100000036270_100000701424 [0,1,0,0,0,1|2,0,0]=4 303 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3cc(ccc3[nH]2)Cl 1458a_100000036270_100000179801 [0,1,0,0,0,1|2,0,0]=4 304 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3cc(ccc3o2)Br 1458a_100000036270_100000730559 [0,1,0,0,0,1|1,0,0]=3 305 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3cc(ccc3o2)Cl 1458a_100000036270_100011222916 [0,1,0,0,0,1|1,0,0]=3 306 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3cc(ccc3o2)F 1458a_100000036270_100000687093 [0,1,0,0,0,1|1,0,0]=3 307 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3ccc(cc3[nH]2)F 1458a_100000036270_200011347187 [0,1,0,0,0,1|2,0,0]=4 308 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3ccc(cc3o2)Br 1458a_100000036270_100000729449 [0,1,0,0,0,1|1,0,0]=3 309 B27R3.20475279 O=C(CCCCCCc1ccccc1)Cc2nc3ccc(cc3o2)F 1458a_100000036270_100000687025 [0,1,0,0,0,1|1,0,0]=3 310 B27R3.37104622 Cc1cccc2c1nc(o2)CC(=O)CCCCCCc3ccccc3 1458a_100000036270_100011397728 [0,1,0,0,0,1|1,0,0]=3 311 B27R3.37104622 Cc1ccnc2c1nc([nH]2)CC(=O)CCCCCCc3ccccc3 1458a_100000036270_200000699823 [0,1,0,0,0,1|1,0,1]=4 312 B27R3.44149734 O=C(CCCC(=O)OCc1ccccc1)Cc2nc3ncccc3o2 1458a_100010293158_100000696355 [0,1,0,0,0,1|1,0,1]=4 313 B27R3.44169487 O=C(CCCCNC(=O)c1ccccc1)Cc2nc3ncccc3o2 1458a_100000689376_100000696355 [0,1,0,0,0,1|1,0,1]=4 314 B27R3.287559301 CC(OCCOCc1ccccc1)C(=O)Cc2nc3ncccc3o2 1458a_100014626310_100000696355 [0,1,0,0,0,1|2,0,0]=4 315 B27R3.3735503 Cc1c(oc2c1cccc2)C(=O)CNCCCCCc3ccccc3 2230a_100000750932_100000684729 [0,1,0,0,0,1|2,0,0]=4 316 B27R3.20474539 O=C(CNCCCCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100000750932_100010170448 [0,1,0,0,0,1|2,0,0]=4 317 B27R3.20474539 O=C(COCCCCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_200011219639_100010170448 [0,1,0,0,0,1|2,0,0]=4 318 B27R3.287560044 O=C(CCCCCc1ccccc1)CC(=O)c2cc3ccccc3o2 1458a_100011216832_100000209828 [0,1,0,0,0,1|2,0,0]=4 319 B25R4.1653930 c1ccc(cc1)[C@H]2CCC[C@H]2NCc3nc4ncccc4o3 2230a_100009885948_100000696355 [1,0,0,1,0,0|1,0,1]=4 320 B25R4.1654041 c1ccc(cc1)C2CCCCN2Cc3nc4ncccc4o3 2230a_100000707174_100000696355 [1,0,0,1,0,0|1,0,1]=4 321 B25R4.1655537 c1ccc(cc1)CC2CCCN2Cc3nc4ncccc4o3 2230a_100159249835_100000696355 [1,0,0,1,0,0|1,0,1]=4 322 B27R4.4352022 O=C(Cc1nc2ccccc2o1)C3CCCN3Cc4ccccc4 1458a_100000743216_100000195508 [0,0,0,1,0,1|2,0,0]=4 323 B27R4.4352022 O=C(Cc1nc2ncccc2o1)C3CCCN3Cc4ccccc4 1458a_100000743216_100000696355 [0,0,0,1,0,1|1,0,0]=3 324 B27R4.4352042 O=C(Cc1nc2ccccc2o1)C3CCCCN3c4ccccc4 1458a_100010388615_100000195508 [0,0,0,1,0,1|2,0,0]=4 325 B27R4.4352042 O=C(Cc1nc2ncccc2o1)C3CCCCN3c4ccccc4 1458a_100010388615_100000696355 [0,0,0,1,0,1|1,0,0]=3 326 B27R4.30247475 O=C(CCN1CCCc2c1cccc2)Cc3nc4ccccc4o3 1458a_200000189361_100000195508 [0,0,0,1,0,1|2,0,0]=4 327 B27R4.30247475 O=C(CCN1CCCc2c1cccc2)Cc3nc4ncccc4o3 1458a_200000189361_100000696355 [0,0,0,1,0,1|1,0,0]=3 328 B27R4.4354745 O=C(CN1CCCCC1c2ccccc2)c3cc4ccccc4o3 269982a_100000707174_100000209828 [0,0,0,1,0,1|2,0,0]=4 329 B27R4.4354745 O=C(CN1CCCCC1c2ccccc2)c3nc4ccccc4s3 2230a_100000707174_100000198972 [0,0,0,1,0,1|1,1,0]=4 330 B27R4.4354745 O=C(CN1CCCCC1c2ccccc2)c3nc4ccccc4s3 269982a_100000707174_100000198972 [0,0,0,1,0,1|1,1,0]=4 331 B27R4.30395980 O=C(CN1CCCC1Cc2ccccc2)c3cc4ccccc4o3 269982a_100159249835_100000209828 [0,0,0,1,0,1|2,0,0]=4 332 B27R4.30395980 O=C(CN1CCCC1Cc2ccccc2)c3nc4ccccc4s3 2230a_100159249835_100000198972 [0,0,0,1,0,1|1,1,0]=4 333 B27R4.30395980 O=C(CN1CCCC1Cc2ccccc2)c3nc4ccccc4s3 269982a_100159249835_100000198972 [0,0,0,1,0,1|1,1,0]=4 334 B27R4.30460497 O=C(CN[C@@H]1CCC[C@@H]1c2ccccc2)c3nc4ccccc4s3 2230a_100009885948_100000198972 [0,0,0,1,0,1|1,1,0]=4 335 B23R2.179300 Cc1cccnc1CC(=O)CCCCCCc2ccccc2 1458a_100000036270_100000696600 [0,0,1,0,1,0|1,0,1]=4 336 B23R2.179300 Cc1cccnc1CC(=O)CCCCCCc2ccccc2 1458a_200000722269_100011218729 [0,0,1,0,1,0|1,0,1]=4 337 B23R2.179300 Cc1ncccc1CC(=O)CCCCCCc2ccccc2 1458a_100000036270_100000732876 [0,0,1,0,1,0|1,0,1]=4 338 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ccccc2O 1458a_100000743006_100011218729 [0,0,1,0,1,0|1,0,1]=4 339 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2cccnc2Br 1458a_100000036270_100010140945 [0,0,1,0,1,0|1,0,1]=4 340 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2cccnc2Cl 1458a_100000036270_100000045678 [0,0,1,0,1,0|1,0,1]=4 341 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2cccnc2Cl 1458a_100000093521_100011218729 [0,0,1,0,1,0|1,0,1]=4 342 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2cccnc2F 1458a_100000036270_100000099810 [0,0,1,0,1,0|1,0,1]=4 343 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ncccc2Br 1458a_100000036270_100025702911 [0,0,1,0,1,0|1,0,1]=4 344 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ncccc2Br 1458a_200012357574_100011218729 [0,0,1,0,1,0|1,0,1]=4 345 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ncccc2Cl 1458a_100000036270_100000099807 [0,0,1,0,1,0|1,0,1]=4 346 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ncccc2Cl 1458a_100011998755_100011218729 [0,0,1,0,1,0|1,0,1]=4 347 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ncccc2F 1458a_100000036270_100000104219 [0,0,1,0,1,0|1,0,1]=4 348 B23R2.179300 O=C(CCCCCCc1ccccc1)Cc2ncccc2O 1458a_100000036270_200020655725 [0,0,1,0,1,0|0,0,1]=3 349 B23R2.179300 O=C(CCCCCCc1ccccc1)Nc2ccccc2O 22a_100000185747_100000036270 [0,0,1,0,1,0|1,0,1]=4 350 B23R2.179300 O=C(CCCCCCc1ccccc1)Nc2ccccc2O 527a_100000185747_100000036270 [0,0,1,0,1,0|1,0,1]=4 351 B23R2.179665 O=C(C=Cc1ccccc1O)CCCCCc2ccccc2 1458a_100016263591_200011217138 [0,0,1,0,1,0|2,0,0]=4 352 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)CCCCCc2ccccc2 1458a_100025712827_200011217138 [0,0,1,0,1,0|2,0,0]=4 353 B23R2.477864 O=C(CCCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200011217138 [0,0,1,0,1,0|2,0,0]=4 354 B23R2.478117 C=C(C(=O)CCCCCCc1ccccc1)c2ccccc2 1458a_100000065200_100011218729 [0,0,1,0,1,0|2,0,0]=4 355 B23R2.478117 CC(C(=O)CCCCCCc1ccccc1)c2ccccn2 1458a_100000722050_100011218729 [0,0,1,0,1,0|1,0,1]=4 356 B23R2.478117 O=C(CCCCCCc1ccccc1)[C@H](O)c2ccccc2 1458a_100000684486_100011218729 [0,0,1,0,1,0|1,0,1]=4 357 B23R3.3869082 c1ccc(cc1)CCCCNCc2cc3ncccc3o2 207a_100015280158_100000104172 [1,0,0,0,1,0|2,0,0]=4 358 B23R3.3869082 c1ccc(cc1)CCCCNCc2cc3ncccc3o2 270004a_100015280158_100000104172 [1,0,0,0,1,0|2,0,0]=4 359 B23R3.3869082 c1ccc(cc1)CCCCNCc2nc3ccccc3o2 2230a_100015280158_100000195508 [1,0,0,0,1,0|2,0,0]=4 360 B23R3.3869082 c1ccc(cc1)CCCCNCc2nc3ccccc3o2 34a_100015280158_200012361514 [1,0,0,0,1,0|2,0,0]=4 361 B23R3.3869082 c1ccc(cc1)CCCCNCc2nc3ncccc3o2 2230a_100015280158_100000696355 [1,0,0,0,1,0|1,0,0]=3 362 B23R3.3869082 c1ccc(cc1)CCCCOCc2nc3ccccc3o2 34a_100000703073_200012361514 [1,0,0,0,1,0|2,0,0]=4 363 B23R3.3869082 c1ccc(cc1)CCCCOCc2nc3ccccc3o2 7a_100000703073_100000195508 [1,0,0,0,1,0|2,0,0]=4 364 B23R3.3869082 c1ccc(cc1)CCCCOCc2nc3ncccc3o2 7a_100000703073_100000696355 [1,0,0,0,1,0|1,0,0]=3 365 B23R3.3869082 c1ccc(cc1)CCCCSCc2nc3ccccc3o2 62a_100000701786_100000195508 [1,0,0,0,1,0|2,0,0]=4 366 B23R3.3869082 c1ccc(cc1)CCCCSCc2nc3ncccc3o2 62a_100000701786_100000696355 [1,0,0,0,1,0|1,0,0]=3 367 B23R3.3869082 c1ccc(cc1)COCCNCc2nc3ncccc3o2 2230a_100000753106_100000696355 [1,0,0,0,1,0|2,0,0]=4 368 B23R3.3869082 c1ccc(cc1)COCCOCc2nc3ncccc3o2 7a_100000759325_100000696355 [1,0,0,0,1,0|2,0,0]=4 369 B23R3.3869082 c1ccc(cc1)COCCSCc2nc3ncccc3o2 62a_100000234347_100000696355 [1,0,0,0,1,0|2,0,0]=4 370 B23R3.3869082 c1ccc(cc1)CSCCNCc2nc3ncccc3o2 2230a_100000189534_100000696355 [1,0,0,0,1,0|2,0,0]=4 371 B23R3.3869082 c1ccc(cc1)CSCCNCc2nc3ncccc3o2 7a_100000189534_100000696355 [1,0,0,0,1,0|2,0,0]=4 372 B23R3.3869082 c1ccc(cc1)CSCCOCc2nc3ncccc3o2 7a_100011205989_100000696355 [1,0,0,0,1,0|2,0,0]=4 373 B23R3.3869082 c1ccc(cc1)CSCCSCc2nc3ncccc3o2 62a_200011297719_100000696355 [1,0,0,0,1,0|2,0,0]=4 374 B23R3.3869082 c1ccc(cc1)OCCCNCc2nc3ncccc3o2 2230a_100000216521_100000696355 [1,0,0,0,1,0|2,0,0]=4 375 B23R3.3869082 c1ccc(cc1)OCCCOCc2nc3ncccc3o2 7a_100011215863_100000696355 [1,0,0,0,1,0|2,0,0]=4 376 B23R3.3869082 c1ccc(cc1)OCCCSCc2nc3ncccc3o2 62a_100000199009_100000696355 [1,0,0,0,1,0|2,0,0]=4 377 B23R3.3869082 c1ccc(cc1)SCCCNCc2nc3ncccc3o2 2230a_100000184639_100000696355 [1,0,0,0,1,0|2,0,0]=4 378 B23R3.3869082 c1ccc(cc1)SCCCSCc2nc3ncccc3o2 62a_200011203293_100000696355 [1,0,0,0,1,0|2,0,0]=4 379 B23R3.3869082 c1cnc2nc(oc2c1)CSCCCCc3ccncc3 62a_100020630000_100000696355 [1,0,0,0,1,0|2,0,0]=4 380 B23R3.3869082 c1cncc(c1)CCCCOCc2nc3ncccc3o2 7a_100012039607_100000696355 [1,0,0,0,1,0|2,0,0]=4 381 B25R2.218918 O=C(C=Cc1ccccc1O)CCCCCCCc2ccccc2 1458a_100016263591_200009813472 [0,0,1,0,0,1|2,0,0]=4 382 B25R2.218918 O=C(C=Cc1ccccc1O)CCCCCCOc2ccccc2 1458a_100016263591_200012047174 [0,0,1,0,0,1|2,0,0]=4 383 B25R2.218918 O=C(C=Cc1ccccc1O)CCCCCOCc2ccccc2 1458a_100016263591_100012032903 [0,0,1,0,0,1|2,0,0]=4 384 B25R2.741167 O=C(CCCCCCc1ccccc1)CC(=O)Nc2ccccn2 1458a_100000036270_100020662008 [0,0,1,0,0,1|0,0,2]=4 385 B25R2.741167 O=C(CCCCCCc1ccccc1)CC(=O)Oc2ccccc2 1458a_100000036270_100009813826 [0,0,1,0,0,1|2,0,0]=4 386 B25R2.741402 C/C(=C\c1ccccn1)/C(=O)CCCCCCCc2ccccc2 1458a_100025712827_200009813472 [0,0,1,0,0,1|2,0,0]=4 387 B25R2.741402 C/C(=C\c1ccccn1)/C(=O)CCCCCCOc2ccccc2 1458a_100025712827_200012047174 [0,0,1,0,0,1|2,0,0]=4 388 B25R2.741402 C/C(=C\c1ccccn1)/C(=O)CCCCCOCc2ccccc2 1458a_100025712827_100012032903 [0,0,1,0,0,1|2,0,0]=4 389 B25R2.741402 O=C(CCCCCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200009813472 [0,0,1,0,0,1|2,0,0]=4 390 B25R2.741402 O=C(CCCCCCOc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200012047174 [0,0,1,0,0,1|2,0,0]=4 391 B25R2.741402 O=C(CCCCCOCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100012032903 [0,0,1,0,0,1|2,0,0]=4 392 B25R3.2065763 c1ccc(cc1)CCCCCCSc2ccc3cccnc3n2 62a_100000075685_100011218729 [1,0,0,0,0,1|2,0,0]=4 393 B25R3.2065763 c1ccc(cc1)CCCCCCSc2ccc3cccnc3n2 62a_100011218729_100000075685 [1,0,0,0,0,1|2,0,0]=4 394 B25R3.2065763 c1ccc(cc1)CCCCCCSc2cnc3cccnc3n2 62a_100011218729_200010275043 [1,0,0,0,0,1|2,0,0]=4 395 B25R3.2065763 c1ccc(cc1)CCCCCCSc2cnc3cccnc3n2 62a_200010275043_100011218729 [1,0,0,0,0,1|2,0,0]=4 396 B25R3.2065763 c1ccc(cc1)CCCCCCSc2cnc3ncccc3n2 62a_100000084304_100011218729 [1,0,0,0,0,1|2,0,0]=4 397 B25R3.2065763 c1ccc(cc1)CCCCCCSc2cnc3ncccc3n2 62a_100011218729_100000084304 [1,0,0,0,0,1|2,0,0]=4 398 B25R3.2065763 c1ccc(cc1)CCCCCCSc2ncc3cccnc3n2 62a_100009875485_100011218729 [1,0,0,0,0,1|2,0,0]=4 399 B25R3.2065763 c1ccc(cc1)CCCCCCSc2ncc3cccnc3n2 62a_100011218729_100009875485 [1,0,0,0,0,1|2,0,0]=4 400 B25R3.6103231 c1ccc(cc1)CCCCCCOCc2nc3ccccc3o2 34a_100011215581_200012361514 [1,0,0,0,0,1|1,0,1]=4 401 B25R3.6103231 c1ccc(cc1)CCCCCCOCc2nc3ccccc3o2 7a_100011215581_100000195508 [1,0,0,0,0,1|1,0,1]=4 402 B25R3.6103231 c1ccc(cc1)CCCCCCOCc2nc3ncccc3o2 7a_100011215581_100000696355 [1,0,0,0,0,1|0,0,1]=3 403 B25R3.6103231 c1ccc(cc1)CCCCCCSCc2nc3ccccc3o2 62a_100011218729_100000195508 [1,0,0,0,0,1|1,0,1]=4 404 B25R3.6103231 c1ccc(cc1)CCCCCCSCc2nc3ncccc3o2 62a_100011218729_100000696355 [1,0,0,0,0,1|0,0,1]=3 405 B25R3.6103231 c1ccc(cc1)COCCCCNCc2nc3ncccc3o2 2230a_100000748060_100000696355 [1,0,0,0,0,1|1,0,1]=4 406 B25R3.6103231 c1ccc(cc1)COCCCCOCc2nc3ncccc3o2 7a_100011215074_100000696355 [1,0,0,0,0,1|1,0,1]=4 407 B25R3.6103231 c1ccc(cc1)COCCCCSCc2nc3ncccc3o2 62a_100011219843_100000696355 [1,0,0,0,0,1|1,0,1]=4 408 B25R3.6103231 c1ccc(cc1)OCCCCCSCc2nc3ncccc3o2 62a_200011777167_100000696355 [1,0,0,0,0,1|1,0,1]=4 409 B25R3.3979048 O=C(CCCCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200011217138 [0,0,0,0,1,1|2,0,0]=4 410 B25R3.3979048 O=C(CCCCCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200011217138 [0,0,0,0,1,1|2,0,0]=4 411 B25R3.3979048 O=C(CCCCCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200011217138 [0,0,0,0,1,1|2,0,0]=4 412 B27R3.5024880 O=C(CCCCCCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200009813472 [0,0,0,0,0,2|2,0,0]=4 413 B27R3.5024880 O=C(CCCCCCOc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200012047174 [0,0,0,0,0,2|2,0,0]=4 414 B27R3.5024880 O=C(CCCCCCOc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200012047174 [0,0,0,0,0,2|2,0,0]=4 415 B27R3.5024880 O=C(CCCCCCOc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200012047174 [0,0,0,0,0,2|2,0,0]=4 416 B27R3.5024880 O=C(CCCCCOCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100012032903 [0,0,0,0,0,2|2,0,0]=4 417 B27R3.5024880 O=C(CCCCCOCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100012032903 [0,0,0,0,0,2|2,0,0]=4 418 B27R3.5024880 O=C(CCCCCOCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100012032903 [0,0,0,0,0,2|2,0,0]=4 419 B27R3.44183560 O=C(CCCCCCc1ccccc1)C2=Cc3ccccc3OC=C2 1458a_200000089061_100011218729 [0,0,0,0,0,2|2,0,0]=4 420 B27R3.44183742 O=C(CCCCCCc1ccccc1)Cc2cc3ccccc3cn2 1458a_100000036270_100009869231 [0,0,0,0,0,2|2,0,0]=4 421 B27R3.44183742 O=C(CCCCCCc1ccccc1)Cc2ccc3ccccc3n2 1458a_100000036270_100000737579 [0,0,0,0,0,2|2,0,0]=4 422 B27R3.44183742 O=C(CCCCCCc1ccccc1)Cc2ccc3ncccc3c2 1458a_100000036270_100000703657 [0,0,0,0,0,2|2,0,0]=4 423 B27R3.44183742 O=C(CCCCCCc1ccccc1)Cc2ccc3ncccc3c2 1458a_100011218584_100011218729 [0,0,0,0,0,2|2,0,0]=4 424 B27R3.44183742 O=C(CCCCCCc1ccccc1)Cc2cnc3ccccc3n2 1458a_100000036270_200000751123 [0,0,0,0,0,2|2,0,0]=4 425 B27R3.44183742 O=C(CCCCCCc1ccccc1)Cc2ncc3ccccc3n2 1458a_100000036270_100009868571 [0,0,0,0,0,2|2,0,0]=4 426 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3cccnc3c2 11a_100102887122_100000036270 [0,0,0,0,0,2|2,0,0]=4 427 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3cccnc3c2 1626a_100102887122_100000036270 [0,0,0,0,0,2|2,0,0]=4 428 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3cccnc3c2 22a_100102887122_100000036270 [0,0,0,0,0,2|2,0,0]=4 429 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3cccnc3c2 527a_100102887122_100000036270 [0,0,0,0,0,2|2,0,0]=4 430 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3ncccc3c2 11a_100011198106_100000036270 [0,0,0,0,0,2|2,0,0]=4 431 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3ncccc3c2 1626a_100011198106_100000036270 [0,0,0,0,0,2|2,0,0]=4 432 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3ncccc3c2 22a_100011198106_100000036270 [0,0,0,0,0,2|2,0,0]=4 433 B27R3.44183742 O=C(CCCCCCc1ccccc1)Nc2ccc3ncccc3c2 527a_100011198106_100000036270 [0,0,0,0,0,2|2,0,0]=4 434 B27R3.44182660 O=C(C=Cc1nc2ccccc2o1)CCCCCCc3ccccc3 1458a_100000697878_100011218729 [0,0,0,0,0,2|1,0,0]=3 435 B27R3.44182660 O=C(C=Cc1nc2ccccc2o1)CCCCCOc3ccccc3 1458a_100000697878_200011777167 [0,0,0,0,0,2|2,0,0]=4 436 B27R3.44182660 O=C(C=Cc1nc2ccccc2o1)CCCCOCc3ccccc3 1458a_100000697878_100011219843 [0,0,0,0,0,2|2,0,0]=4 437 B27R3.44182660 O=C(C=Cc1nc2ccccc2o1)NCCCCCc3ccccc3 11a_100000750932_100000697878 [0,0,0,0,0,2|2,0,0]=4 438 B27R3.44182660 O=C(C=Cc1nc2ccccc2o1)NCCCCCc3ccccc3 240690a_100000750932_100000697878 [0,0,0,0,0,2|2,0,0]=4 439 B27R3.44182660 O=C(CCCCCCc1ccccc1)CCc2nc3ccccc3[nH]2 1458a_100102526157_100011218729 [0,0,0,0,0,2|2,0,0]=4 440 B27R3.44182660 O=C(CCCCCCc1ccccc1)CCc2nc3ccccc3s2 1458a_100000182949_100011218729 [0,0,0,0,0,2|1,1,0]=4 441 B27R3.44182660 O=C(CCCCCCc1ccccc1)CSc2nc3ccccc3[nH]2 1458a_100000179484_100011218729 [0,0,0,0,0,2|2,0,0]=4 442 B27R3.44182660 O=C(CCCCCCc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_100011218729 [0,0,0,0,0,2|1,0,0]=3 443 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cc3ccccc3o2 11a_100011220112_100000036270 [0,0,0,0,0,2|2,0,0]=4 444 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cc3ccccc3o2 1626a_100011220112_100000036270 [0,0,0,0,0,2|2,0,0]=4 445 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cc3ccccc3o2 240690a_100011220112_100000036270 [0,0,0,0,0,2|2,0,0]=4 446 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cc3ccccc3o2 527a_100011220112_100000036270 [0,0,0,0,0,2|2,0,0]=4 447 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cn3cccnc3n2 11a_100025705072_100000036270 [0,0,0,0,0,2|2,0,0]=4 448 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cn3cccnc3n2 1626a_100025705072_100000036270 [0,0,0,0,0,2|2,0,0]=4 449 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cn3cccnc3n2 240690a_100025705072_100000036270 [0,0,0,0,0,2|2,0,0]=4 450 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2cn3cccnc3n2 527a_100025705072_100000036270 [0,0,0,0,0,2|2,0,0]=4 451 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3[nH]2 240690a_100000729406_100000036270 [0,0,0,0,0,2|2,0,0]=4 452 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3[nH]2 527a_100000729406_100000036270 [0,0,0,0,0,2|2,0,0]=4 453 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3o2 11a_100000733820_100000036270 [0,0,0,0,0,2|1,0,0]=3 454 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3o2 1626a_100000733820_100000036270 [0,0,0,0,0,2|1,0,0]=3 455 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3o2 240690a_100000733820_100000036270 [0,0,0,0,0,2|1,0,0]=3 456 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3o2 527a_100000733820_100000036270 [0,0,0,0,0,2|1,0,0]=3 457 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3s2 11a_100000174905_100000036270 [0,0,0,0,0,2|1,1,0]=4 458 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3s2 1626a_100000174905_100000036270 [0,0,0,0,0,2|1,1,0]=4 459 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3s2 240690a_100000174905_100000036270 [0,0,0,0,0,2|1,1,0]=4 460 B27R3.44182660 O=C(CCCCCCc1ccccc1)NCc2nc3ccccc3s2 527a_100000174905_100000036270 [0,0,0,0,0,2|1,1,0]=4 461 B27R3.44182660 O=C(CCCCCCc1ccccc1)NNc2nc3ccccc3[nH]2 22a_100000188875_100000036270 [0,0,0,0,0,2|2,0,0]=4 462 B27R3.44182660 O=C(CCCCCCc1ccccc1)NNc2nc3ccccc3o2 22a_100000182307_100000036270 [0,0,0,0,0,2|1,0,0]=3 463 B27R3.44182660 O=C(CCCCCCc1ccccc1)NNc2nc3ccccc3s2 22a_100000181811_100000036270 [0,0,0,0,0,2|1,1,0]=4 464 B27R3.44182660 O=C(CCCCCOc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_200011777167 [0,0,0,0,0,2|2,0,0]=4 465 B27R3.44182660 O=C(CCCCOCc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_100011219843 [0,0,0,0,0,2|2,0,0]=4 466 B27R3.44182660 O=C(CSc1nc2ccccc2o1)NCCCCCc3ccccc3 527a_100000750932_200000179485 [0,0,0,0,0,2|2,0,0]=4 467 B27R3.44182660 O=C(NCCCCCc1ccccc1)NCc2nc3ccccc3o2 2708a_100000733820_100000750932 [0,0,0,0,0,2|2,0,0]=4 468 B27R3.44182660 O=C(NCCCCCc1ccccc1)NCc2nc3ccccc3o2 2708a_100000750932_100000733820 [0,0,0,0,0,2|2,0,0]=4 469 B27R3.44182660 O=C(NCCCCCc1ccccc1)NCc2nc3ccccc3o2 273464a_100000733820_100000750932 [0,0,0,0,0,2|2,0,0]=4 470 B27R3.44182660 O=C(NCCCCCc1ccccc1)NCc2nc3ccccc3o2 273464a_100000750932_100000733820 [0,0,0,0,0,2|2,0,0]=4 471 B27R3.44182660 O=C(NCCCCCc1ccccc1)NCc2nc3ccccc3o2 512a_100000733820_100000750932 [0,0,0,0,0,2|2,0,0]=4 472 B27R3.44182660 O=C(NCCCCCc1ccccc1)NCc2nc3ccccc3o2 512a_100000750932_100000733820 [0,0,0,0,0,2|2,0,0]=4 473 B27R3.44182660 O=C(NCCCCCc1ccccc1)NNc2nc3ccccc3o2 273464a_100000750932_100000182307 [0,0,0,0,0,2|2,0,0]=4 474 B27R3.44182660 O=C(NCCCCCc1ccccc1)NNc2nc3ccccc3o2 512a_100000182307_100000750932 [0,0,0,0,0,2|2,0,0]=4 475 B27R3.44182660 O=C(NCCCCCc1ccccc1)NNc2nc3ccccc3o2 512a_100000750932_100000182307 [0,0,0,0,0,2|2,0,0]=4 476 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_200000034917_100000737899 [0,0,0,0,0,2|2,0,0]=4 477 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200009813472 [0,0,0,0,0,2|1,0,0]=3 478 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_200000034917_100000195508 [0,0,0,0,0,2|1,0,0]=3 479 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3ccccc3s2 1458a_200000034917_100011217541 [0,0,0,0,0,2|1,1,0]=4 480 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_200000034917_100011549802 [0,0,0,0,0,2|1,0,1]=4 481 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_200000034917_100000696355 [0,0,0,0,0,2|0,0,0]=2 482 B27R3.44211927 O=C(CCCCCCOc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_200012047174 [0,0,0,0,0,2|2,0,0]=4 483 B27R3.44211927 O=C(CCCCCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200012047174 [0,0,0,0,0,2|1,0,0]=3 484 B27R3.44211927 O=C(CCCCCOCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100012032903 [0,0,0,0,0,2|2,0,0]=4 485 B27R3.44211927 O=C(CCCCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100012032903 [0,0,0,0,0,2|1,0,0]=3 486 B27R3.44211927 O=C(CCNCCCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100015280158_200011213626 [0,0,0,0,0,2|1,1,0]=4 487 B27R3.44211927 O=C(CCOCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000703073_200011213626 [0,0,0,0,0,2|1,1,0]=4 488 B27R3.44211927 O=C(CCOCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100011072030_100000195508 [0,0,0,0,0,2|2,0,0]=4 489 B27R3.44211927 O=C(CCOCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100010883073 [0,0,0,0,0,2|2,0,0]=4 490 B27R3.44211927 O=C(CCOCCOCc1ccccc1)Cc2nc3ncccc3o2 1458a_100011072030_100000696355 [0,0,0,0,0,2|1,0,0]=3 491 B27R3.44211927 O=C(CNCCCCCc1ccccc1)Nc2nc3ccccc3[nH]2 2230a_100000750932_100011353410 [0,0,0,0,0,2|2,0,0]=4 492 B27R3.44211927 O=C(CNCCCCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100000750932_100000752643 [0,0,0,0,0,2|1,1,0]=4 493 B27R3.44211927 O=C(COCCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_200011219639_100000752643 [0,0,0,0,0,2|1,1,0]=4 494 B27R3.44110942 O=C(CNCCCCOCc1ccccc1)c2nc3ccccc3s2 2230a_100000748060_100000198972 [0,0,0,0,0,2|1,1,0]=4 495 B27R3.44110942 O=C(CSCCCCCOc1ccccc1)c2cc3ccccc3o2 62a_200011777167_100000209828 [0,0,0,0,0,2|2,0,0]=4 496 B27R3.44110942 O=C(CSCCCCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011777167 [0,0,0,0,0,2|1,1,0]=4 497 B27R3.44110942 O=C(CSCCCCOCc1ccccc1)c2cc3ccccc3o2 62a_100011219843_100000209828 [0,0,0,0,0,2|2,0,0]=4 498 B27R3.44110942 O=C(CSCCCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011219843 [0,0,0,0,0,2|1,1,0]=4