0 B23R3.19444762 CC(=NNCCc1ccccc1)c2nc3ccccc3o2 4a_100000740470_100000037696 [0,0,0,0,0,0|4,0,0]=4 1 B23R3.19444762 CN(CCCCc1ccccc1)c2nc3ccccc3[nH]2 27a_100000741445_100009814255 [0,0,0,0,0,0|4,0,0]=4 2 B23R3.19444762 CN(CCCCc1ccccc1)c2nc3ccccc3s2 27a_100000741445_100000751744 [0,0,0,0,0,0|3,1,0]=4 3 B23R3.19444762 CN(CCCCc1ccccc1)c2nc3cccnc3s2 27a_100000741445_100010188088 [0,0,0,0,0,0|4,0,0]=4 4 B23R3.19444762 O=C(CCCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100000701786 [0,0,0,0,0,0|3,0,0]=3 5 B23R3.19444762 O=C(CCCCc1ccccc1)C2Cc3ccccc3C2 1458a_100000685393_100000701786 [0,0,0,0,0,0|3,0,1]=4 6 B23R3.19444762 O=C(CCCCc1ccccc1)C2Cc3ccccc3C2 1458a_100011215911_100000753484 [0,0,0,0,0,0|3,0,1]=4 7 B23R3.19444762 O=C(CCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100000701786 [0,0,0,0,0,0|2,0,1]=3 8 B23R3.19444762 O=C(CCCCc1ccccc1)C2Cc3ccccc3S2 1458a_100000024912_100000701786 [0,0,0,0,0,0|2,1,1]=4 9 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3ccccc3C2 11a_100000752595_100011215911 [0,0,0,0,0,0|4,0,0]=4 10 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3ccccc3C2 1626a_100000752595_100011215911 [0,0,0,0,0,0|4,0,0]=4 11 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3ccccc3C2 240690a_100000752595_100011215911 [0,0,0,0,0,0|4,0,0]=4 12 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3ccccc3C2 527a_100000752595_100011215911 [0,0,0,0,0,0|4,0,0]=4 13 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100011215911 [0,0,0,0,0,0|3,0,0]=3 14 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100011215911 [0,0,0,0,0,0|3,0,0]=3 15 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100011215911 [0,0,0,0,0,0|3,0,0]=3 16 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100011215911 [0,0,0,0,0,0|3,0,0]=3 17 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cncnc3C2 11a_100015200256_100011215911 [0,0,0,0,0,0|4,0,0]=4 18 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cncnc3C2 240690a_100015200256_100011215911 [0,0,0,0,0,0|4,0,0]=4 19 B23R3.19444762 O=C(CCCCc1ccccc1)N2Cc3cncnc3C2 527a_100015200256_100011215911 [0,0,0,0,0,0|4,0,0]=4 20 B23R3.19444762 O=C(CCCCc1ccncc1)C2=Cc3ccccc3C2 1458a_100009862756_100020630000 [0,0,0,0,0,0|4,0,0]=4 21 B23R3.19444762 O=C(CCCCc1ccncc1)C2Cc3ccccc3O2 1458a_100000209886_100020630000 [0,0,0,0,0,0|3,0,1]=4 22 B23R3.19444762 O=C(CCCOc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100000199009 [0,0,0,0,0,0|4,0,0]=4 23 B23R3.19444762 O=C(CCCOc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100000199009 [0,0,0,0,0,0|3,0,1]=4 24 B23R3.19444762 O=C(CCCOc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000212059 [0,0,0,0,0,0|4,0,0]=4 25 B23R3.19444762 O=C(CCCOc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000212059 [0,0,0,0,0,0|4,0,0]=4 26 B23R3.19444762 O=C(CCCOc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000212059 [0,0,0,0,0,0|4,0,0]=4 27 B23R3.19444762 O=C(CCCOc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000212059 [0,0,0,0,0,0|4,0,0]=4 28 B23R3.19444762 O=C(CCCSc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200011203293 [0,0,0,0,0,0|4,0,0]=4 29 B23R3.19444762 O=C(CCCSc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200011203293 [0,0,0,0,0,0|3,0,1]=4 30 B23R3.19444762 O=C(CCCSc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000182835 [0,0,0,0,0,0|4,0,0]=4 31 B23R3.19444762 O=C(CCCSc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000182835 [0,0,0,0,0,0|4,0,0]=4 32 B23R3.19444762 O=C(CCCSc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000182835 [0,0,0,0,0,0|4,0,0]=4 33 B23R3.19444762 O=C(CCCSc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000182835 [0,0,0,0,0,0|4,0,0]=4 34 B23R3.19444762 O=C(CCOCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100000234347 [0,0,0,0,0,0|4,0,0]=4 35 B23R3.19444762 O=C(CCOCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100000234347 [0,0,0,0,0,0|3,0,1]=4 36 B23R3.19444762 O=C(CCOCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000743319 [0,0,0,0,0,0|4,0,0]=4 37 B23R3.19444762 O=C(CCOCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000743319 [0,0,0,0,0,0|4,0,0]=4 38 B23R3.19444762 O=C(CCOCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000743319 [0,0,0,0,0,0|4,0,0]=4 39 B23R3.19444762 O=C(CCOCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000743319 [0,0,0,0,0,0|4,0,0]=4 40 B23R3.19444762 O=C(CCSCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200011297719 [0,0,0,0,0,0|4,0,0]=4 41 B23R3.19444762 O=C(CCSCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200011297719 [0,0,0,0,0,0|3,0,1]=4 42 B23R3.19444762 O=C(CCSCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000173759 [0,0,0,0,0,0|4,0,0]=4 43 B23R3.19444762 O=C(CCSCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000173759 [0,0,0,0,0,0|4,0,0]=4 44 B23R3.19444762 O=C(CCSCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000173759 [0,0,0,0,0,0|4,0,0]=4 45 B23R3.19444762 O=C(CCSCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000173759 [0,0,0,0,0,0|4,0,0]=4 46 B23R3.19444762 O=C(CNCCc1ccccc1)c2cc3ccccc3s2 2230a_100000106460_100012351422 [0,0,0,0,0,0|3,1,0]=4 47 B23R3.19444762 O=C(CNCCc1ccccc1)c2nc3ccccc3s2 2230a_100000106460_100000198972 [0,0,0,0,0,0|2,1,0]=3 48 B23R3.19444762 O=C(CNCCc1cccnc1)c2nc3ccccc3s2 2230a_100000736294_100000198972 [0,0,0,0,0,0|3,1,0]=4 49 B23R3.19444762 O=C(COCCc1ccccc1)c2cc3ccccc3s2 7a_100000210268_100012351422 [0,0,0,0,0,0|3,1,0]=4 50 B23R3.19444762 O=C(CSCCc1ccccc1)c2cc3ccccc3o2 62a_100000765856_100000209828 [0,0,0,0,0,0|3,0,0]=3 51 B23R3.19444762 O=C(CSCCc1ccccc1)c2cc3ccccc3s2 62a_100012351422_100011218657 [0,0,0,0,0,0|3,1,0]=4 52 B23R3.19444762 O=C(CSCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011218657 [0,0,0,0,0,0|2,1,0]=3 53 B23R3.19444762 O=C(CSCCc1ccccn1)c2cc3ccccc3o2 62a_100015183660_100000209828 [0,0,0,0,0,0|4,0,0]=4 54 B23R3.19444762 O=C(CSCCc1ccccn1)c2nc3ccccc3s2 62a_100000198972_100015183660 [0,0,0,0,0,0|3,1,0]=4 55 B23R3.19444762 O=C(CSCCc1cccnc1)c2cc3ccccc3o2 62a_200011713674_100000209828 [0,0,0,0,0,0|4,0,0]=4 56 B23R3.19444762 O=C(CSCCc1cccnc1)c2nc3ccccc3s2 62a_100000198972_200011713674 [0,0,0,0,0,0|3,1,0]=4 57 B23R3.19444762 O=C(CSCCc1ccncc1)c2cc3ccccc3o2 62a_100000723409_100000209828 [0,0,0,0,0,0|4,0,0]=4 58 B23R3.19444762 O=C(CSCCc1ccncc1)c2nc3ccccc3s2 62a_100000198972_100000723409 [0,0,0,0,0,0|3,1,0]=4 59 B23R3.19444762 O=C(CSCSc1ccccc1)c2cc3ccccc3o2 62a_100011218342_100000209828 [0,0,0,0,0,0|4,0,0]=4 60 B23R3.19444762 O=C(CSCSc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011218342 [0,0,0,0,0,0|3,1,0]=4 61 B23R3.19444762 O=C(NCCCc1ccccc1)C2=Cc3ccccc3C2 11a_100000211184_100009862756 [0,0,0,0,0,0|4,0,0]=4 62 B23R3.19444762 O=C(NCCCc1ccccc1)C2=Cc3ccccc3C2 1626a_100000211184_100009862756 [0,0,0,0,0,0|4,0,0]=4 63 B23R3.19444762 O=C(NCCCc1ccccc1)C2=Cc3ccccc3C2 240690a_100000211184_100009862756 [0,0,0,0,0,0|4,0,0]=4 64 B23R3.19444762 O=C(NCCCc1ccccc1)C2Cc3ccccc3O2 11a_100000211184_100000209886 [0,0,0,0,0,0|3,0,1]=4 65 B23R3.19444762 O=C(NCCCc1ccccc1)C2Cc3ccccc3O2 1626a_100000211184_100000209886 [0,0,0,0,0,0|3,0,1]=4 66 B23R3.19444762 O=C(NCCCc1ccccc1)C2Cc3ccccc3O2 240690a_100000211184_100000209886 [0,0,0,0,0,0|3,0,1]=4 67 B23R3.19444762 O=C(NCCCc1ccccc1)C2Cc3ccccc3O2 527a_100000211184_100000209886 [0,0,0,0,0,0|3,0,1]=4 68 B23R3.19444762 O=C(NCCCc1ccccc1)N2Cc3cccnc3C2 2708a_100000211184_100000726175 [0,0,0,0,0,0|4,0,0]=4 69 B23R3.19444762 O=C(NCCCc1ccccc1)N2Cc3cccnc3C2 273464a_100000211184_100000726175 [0,0,0,0,0,0|4,0,0]=4 70 B23R3.19444762 O=C(NN=CCc1ccccc1)c2nc3ccccc3o2 4a_200000092613_100000209964 [0,0,0,0,0,0|3,0,1]=4 71 B22R3.3018238 C(=NNCCc1ccccc1)c2cc3ncccc3o2 4a_100000740470_100000104172 [1,0,0,0,0,0|3,0,0]=4 72 B22R3.3018238 c1ccc(cc1)CCCCNc2nc3ccccc3[nH]2 27a_100015280158_100009814255 [1,0,0,0,0,0|3,0,0]=4 73 B22R3.3018238 c1ccc(cc1)CCCCNc2nc3ccccc3s2 27a_100015280158_100000751744 [1,0,0,0,0,0|2,1,0]=4 74 B22R3.3018238 c1ccc(cc1)CCCCNc2nc3cccnc3s2 27a_100015280158_100010188088 [1,0,0,0,0,0|3,0,0]=4 75 B22R3.3018238 c1ccc(cc1)CCCCSc2cc3ccccc3o2 62a_100000701786_100010159458 [1,0,0,0,0,0|3,0,0]=4 76 B22R3.3018238 c1ccc(cc1)CCCCSc2cc3cccnc3[nH]2 62a_100000701786_100010079843 [1,0,0,0,0,0|2,0,1]=4 77 B22R3.3018238 c1ccc(cc1)CCCCSc2nc3ccccc3[nH]2 62a_100000701786_100009814255 [1,0,0,0,0,0|3,0,0]=4 78 B22R3.3018238 c1ccc(cc1)CCCCSc2nc3ccccc3s2 62a_100000701786_100000751744 [1,0,0,0,0,0|2,1,0]=4 79 B22R3.3018238 c1ccc(cc1)CCCCSc2nc3cccnc3s2 62a_100000701786_100010188088 [1,0,0,0,0,0|3,0,0]=4 80 B22R3.3018238 c1ccc(cc1)CCCCSc2nc3cccnc3s2 62a_100010188088_100000701786 [1,0,0,0,0,0|3,0,0]=4 81 B22R3.3018238 c1ccc(cc1)CCCNCc2cc3ncccc3o2 207a_100000211184_100000104172 [1,0,0,0,0,0|2,0,1]=4 82 B22R3.3018238 c1ccc(cc1)CCCNCc2cc3ncccc3o2 270004a_100000211184_100000104172 [1,0,0,0,0,0|2,0,1]=4 83 B22R3.3018238 c1ccc(cc1)CCCNCc2nc3ccccc3o2 2230a_100000211184_100000195508 [1,0,0,0,0,0|2,0,1]=4 84 B22R3.3018238 c1ccc(cc1)CCCNCc2nc3ccccc3o2 34a_100000211184_200012361514 [1,0,0,0,0,0|2,0,1]=4 85 B22R3.3018238 c1ccc(cc1)CCCNCc2nc3ncccc3o2 2230a_100000211184_100000696355 [1,0,0,0,0,0|1,0,1]=3 86 B22R3.3018238 c1ccc(cc1)CCCOCc2nc3ccccc3o2 34a_100000210828_200012361514 [1,0,0,0,0,0|2,0,1]=4 87 B22R3.3018238 c1ccc(cc1)CCCOCc2nc3ccccc3o2 7a_100000210828_100000195508 [1,0,0,0,0,0|2,0,1]=4 88 B22R3.3018238 c1ccc(cc1)CCCOCc2nc3ncccc3o2 7a_100000210828_100000696355 [1,0,0,0,0,0|1,0,1]=3 89 B22R3.3018238 c1ccc(cc1)CCCSCc2nc3ccccc3o2 62a_100000211621_100000195508 [1,0,0,0,0,0|2,0,1]=4 90 B22R3.3018238 c1ccc(cc1)CCCSCc2nc3ncccc3o2 62a_100000211621_100000696355 [1,0,0,0,0,0|1,0,1]=3 91 B22R3.3018238 c1ccc(cc1)CNCCSc2nc3ccccc3o2 207a_100015185336_100015611070 [1,0,0,0,0,0|3,0,0]=4 92 B22R3.3018238 c1ccc(cc1)CNCCSc2nc3ccccc3o2 270004a_100015185336_100015611070 [1,0,0,0,0,0|3,0,0]=4 93 B22R3.3018238 c1ccc(cc1)COCSCc2nc3ncccc3o2 62a_100000763385_100000696355 [1,0,0,0,0,0|2,0,1]=4 94 B22R3.3018238 c1ccc(cc1)CSCSCc2nc3ncccc3o2 62a_200011217039_100000696355 [1,0,0,0,0,0|2,0,1]=4 95 B22R3.3018238 c1ccc(cc1)OCCNCc2nc3ncccc3o2 2230a_100000174943_100000696355 [1,0,0,0,0,0|2,0,1]=4 96 B22R3.3018238 c1ccc(cc1)OCCOCc2nc3ncccc3o2 7a_100000210260_100000696355 [1,0,0,0,0,0|2,0,1]=4 97 B22R3.3018238 c1ccc(cc1)OCCSCc2nc3ncccc3o2 62a_100000184471_100000696355 [1,0,0,0,0,0|2,0,1]=4 98 B22R3.3018238 c1ccc(cc1)SCCNCc2nc3ncccc3o2 2230a_100000189519_100000696355 [1,0,0,0,0,0|2,0,1]=4 99 B22R3.3018238 c1ccc(cc1)SCCOCc2nc3ncccc3o2 7a_100000230494_100000696355 [1,0,0,0,0,0|2,0,1]=4 100 B22R3.3018238 c1ccc(cc1)SCCSCc2nc3ncccc3o2 62a_100000246102_100000696355 [1,0,0,0,0,0|2,0,1]=4 101 B22R3.3018238 c1cnc2nc(oc2c1)CNCCCc3ccncc3 2230a_100011275580_100000696355 [1,0,0,0,0,0|2,0,1]=4 102 B22R3.3018238 c1cncc(c1)CCCNCc2nc3ncccc3o2 2230a_100011532358_100000696355 [1,0,0,0,0,0|2,0,1]=4 103 B24R3.446256 CC(Cc1ccccc1)SCC(=O)c2cc3ccccc3o2 62a_200011218536_100000209828 [0,1,0,0,0,0|3,0,0]=4 104 B24R3.446256 CC(Cc1ccccc1)SCC(=O)c2nc3ccccc3s2 62a_100000198972_200011218536 [0,1,0,0,0,0|2,1,0]=4 105 B24R3.448607 CC(CNCC(=O)c1nc2ccccc2s1)c3ccccc3 2230a_100000701038_100000198972 [0,1,0,0,0,0|2,1,0]=4 106 B24R3.448607 CC(CSCC(=O)c1cc2ccccc2o1)c3ccccc3 62a_100000756946_100000209828 [0,1,0,0,0,0|3,0,0]=4 107 B24R3.448607 CC(CSCC(=O)c1nc2ccccc2s1)c3ccccc3 62a_100000198972_100000756946 [0,1,0,0,0,0|2,1,0]=4 108 B24R3.448607 O=C(CNCC(O)c1ccccc1)c2nc3ccccc3s2 2230a_100000210709_100000198972 [0,1,0,0,0,0|2,1,0]=4 109 B24R3.448607 O=C(CSCC(O)c1ccccc1)c2cc3ccccc3o2 62a_100000185958_100000209828 [0,1,0,0,0,0|3,0,0]=4 110 B24R3.448607 O=C(CSCC(O)c1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000185958 [0,1,0,0,0,0|2,1,0]=4 111 B24R3.448607 O=C(CSC[C@@H](O)c1ccccc1)c2cc3ccccc3o2 62a_100011933945_100000209828 [0,1,0,0,0,0|3,0,0]=4 112 B24R3.448607 O=C(CSC[C@@H](O)c1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011933945 [0,1,0,0,0,0|2,1,0]=4 113 B24R3.2710304 CC1=C(Cc2c1cccc2)C(=O)CCCCc3ccccc3 1458a_200000242466_100000701786 [0,1,0,0,0,0|3,0,0]=4 114 B24R3.2710304 Cc1c(oc2c1cccc2)C(=O)CNCCc3ccccc3 2230a_100000106460_100000684729 [0,1,0,0,0,0|3,0,0]=4 115 B24R3.2710304 Cc1c(oc2c1cccc2)C(=O)CSCCc3ccccc3 62a_100000765856_100000684729 [0,1,0,0,0,0|3,0,0]=4 116 B24R3.11388209 Cc1cccc(c1)CCNCC(=O)c2nc3ccccc3s2 2230a_100000749837_100000198972 [0,1,0,0,0,0|2,1,0]=4 117 B24R3.11388209 Cc1cccc(c1)CCSCC(=O)c2cc3ccccc3o2 62a_100011713685_100000209828 [0,1,0,0,0,0|3,0,0]=4 118 B24R3.11388209 Cc1cccc(c1)CCSCC(=O)c2nc3ccccc3s2 62a_100000198972_100011713685 [0,1,0,0,0,0|2,1,0]=4 119 B24R3.11388209 O=C(CCCCc1cccc(c1)Br)N2Cc3cccnc3C2 11a_100000726175_200010160685 [0,1,0,0,0,0|3,0,0]=4 120 B24R3.11388209 O=C(CCCCc1cccc(c1)Br)N2Cc3cccnc3C2 1626a_100000726175_200010160685 [0,1,0,0,0,0|3,0,0]=4 121 B24R3.11388209 O=C(CCCCc1cccc(c1)Br)N2Cc3cccnc3C2 240690a_100000726175_200010160685 [0,1,0,0,0,0|3,0,0]=4 122 B24R3.11388209 O=C(CCCCc1cccc(c1)Br)N2Cc3cccnc3C2 527a_100000726175_200010160685 [0,1,0,0,0,0|3,0,0]=4 123 B24R3.11388209 O=C(CNCCc1cccc(c1)Br)c2nc3ccccc3s2 2230a_100011207229_100000198972 [0,1,0,0,0,0|2,1,0]=4 124 B24R3.11388209 O=C(CNCCc1cccc(c1)Cl)c2nc3ccccc3s2 2230a_100000185263_100000198972 [0,1,0,0,0,0|2,1,0]=4 125 B24R3.11388209 O=C(CNCCc1cccc(c1)F)c2nc3ccccc3s2 2230a_100000205154_100000198972 [0,1,0,0,0,0|2,1,0]=4 126 B24R3.11388209 O=C(CNCCc1cccc(c1)O)c2nc3ccccc3s2 2230a_100000747277_100000198972 [0,1,0,0,0,0|2,1,0]=4 127 B24R3.11388209 O=C(CSCCc1cccc(c1)Br)c2cc3ccccc3o2 62a_100011740638_100000209828 [0,1,0,0,0,0|3,0,0]=4 128 B24R3.11388209 O=C(CSCCc1cccc(c1)Br)c2nc3ccccc3s2 62a_100000198972_100011740638 [0,1,0,0,0,0|2,1,0]=4 129 B24R3.11388209 O=C(CSCCc1cccc(c1)Cl)c2cc3ccccc3o2 62a_100011713710_100000209828 [0,1,0,0,0,0|3,0,0]=4 130 B24R3.11388209 O=C(CSCCc1cccc(c1)Cl)c2nc3ccccc3s2 62a_100000198972_100011713710 [0,1,0,0,0,0|2,1,0]=4 131 B24R3.11388209 O=C(CSCCc1cccc(c1)F)c2cc3ccccc3o2 62a_100011217235_100000209828 [0,1,0,0,0,0|3,0,0]=4 132 B24R3.11388209 O=C(CSCCc1cccc(c1)F)c2nc3ccccc3s2 62a_100000198972_100011217235 [0,1,0,0,0,0|2,1,0]=4 133 B24R3.11555009 Cc1ccc2c(c1)OC(C2)C(=O)CCCCc3ccccc3 1458a_100009922052_100000701786 [0,1,0,0,0,0|2,0,1]=4 134 B24R3.11555009 O=C(CCCCc1ccccc1)C2Cc3cc(ccc3O2)O 1458a_200009830173_100000701786 [0,1,0,0,0,0|2,0,1]=4 135 B24R3.11555009 O=C(CCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 11a_100016995040_100011215911 [0,1,0,0,0,0|3,0,0]=4 136 B24R3.11555009 O=C(CCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 1626a_100016995040_100011215911 [0,1,0,0,0,0|3,0,0]=4 137 B24R3.11555009 O=C(CCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 240690a_100016995040_100011215911 [0,1,0,0,0,0|3,0,0]=4 138 B24R3.11555009 O=C(CCCCc1ccccc1)N2Cc3ccc(nc3C2)Cl 527a_100016995040_100011215911 [0,1,0,0,0,0|3,0,0]=4 139 B24R3.11555009 O=C(CNCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100000106460_100010170448 [0,1,0,0,0,0|3,0,0]=4 140 B24R3.11555009 O=C(COCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100000210268_100010170448 [0,1,0,0,0,0|3,0,0]=4 141 B24R3.11555009 O=C(CSCCc1ccccc1)c2cc3cc(ccc3o2)Br 62a_100000765856_100010170448 [0,1,0,0,0,0|3,0,0]=4 142 B24R3.11904236 Cc1ccccc1CCNCC(=O)c2nc3ccccc3s2 2230a_100000685071_100000198972 [0,1,0,0,0,0|2,1,0]=4 143 B24R3.11904236 Cc1ccccc1CCSCC(=O)c2cc3ccccc3o2 62a_100011713688_100000209828 [0,1,0,0,0,0|3,0,0]=4 144 B24R3.11904236 Cc1ccccc1CCSCC(=O)c2nc3ccccc3s2 62a_100000198972_100011713688 [0,1,0,0,0,0|2,1,0]=4 145 B24R3.11904236 O=C(CNCCc1ccccc1Br)c2nc3ccccc3s2 2230a_100000747383_100000198972 [0,1,0,0,0,0|2,1,0]=4 146 B24R3.11904236 O=C(CNCCc1ccccc1Cl)c2nc3ccccc3s2 2230a_100011207228_100000198972 [0,1,0,0,0,0|2,1,0]=4 147 B24R3.11904236 O=C(CNCCc1ccccc1F)c2nc3ccccc3s2 2230a_100000185272_100000198972 [0,1,0,0,0,0|2,1,0]=4 148 B24R3.11904236 O=C(CSCCc1ccccc1Br)c2cc3ccccc3o2 62a_100012161201_100000209828 [0,1,0,0,0,0|3,0,0]=4 149 B24R3.11904236 O=C(CSCCc1ccccc1Br)c2nc3ccccc3s2 62a_100000198972_100012161201 [0,1,0,0,0,0|2,1,0]=4 150 B24R3.11904236 O=C(CSCCc1ccccc1Cl)c2cc3ccccc3o2 62a_100011713703_100000209828 [0,1,0,0,0,0|3,0,0]=4 151 B24R3.11904236 O=C(CSCCc1ccccc1Cl)c2nc3ccccc3s2 62a_100000198972_100011713703 [0,1,0,0,0,0|2,1,0]=4 152 B24R3.11904236 O=C(CSCCc1ccccc1F)c2cc3ccccc3o2 62a_100011713696_100000209828 [0,1,0,0,0,0|3,0,0]=4 153 B24R3.11904236 O=C(CSCCc1ccccc1F)c2nc3ccccc3s2 62a_100000198972_100011713696 [0,1,0,0,0,0|2,1,0]=4 154 B24R3.11904236 O=C(CSCCc1ccccc1O)c2cc3ccccc3o2 62a_100000722297_100000209828 [0,1,0,0,0,0|3,0,0]=4 155 B24R3.11904236 O=C(CSCCc1ccccc1O)c2nc3ccccc3s2 62a_100000198972_100000722297 [0,1,0,0,0,0|2,1,0]=4 156 B24R3.37409406 Cc1ccc(cc1)CCNCC(=O)c2nc3ccccc3s2 2230a_100000705350_100000198972 [0,1,0,0,0,0|2,1,0]=4 157 B24R3.37409406 Cc1ccc(cc1)CCSCC(=O)c2cc3ccccc3o2 62a_100011713686_100000209828 [0,1,0,0,0,0|3,0,0]=4 158 B24R3.37409406 Cc1ccc(cc1)CCSCC(=O)c2nc3ccccc3s2 62a_100000198972_100011713686 [0,1,0,0,0,0|2,1,0]=4 159 B24R3.37409406 O=C(CCCCc1ccc(cc1)Br)C2=Cc3ccccc3C2 1458a_100009862756_200012094861 [0,1,0,0,0,0|3,0,0]=4 160 B24R3.37409406 O=C(CCCCc1ccc(cc1)Br)C2Cc3ccccc3O2 1458a_100000209886_200012094861 [0,1,0,0,0,0|2,0,1]=4 161 B24R3.37409406 O=C(CCCCc1ccc(cc1)Br)N2Cc3cccnc3C2 11a_100000726175_100000741018 [0,1,0,0,0,0|3,0,0]=4 162 B24R3.37409406 O=C(CCCCc1ccc(cc1)Br)N2Cc3cccnc3C2 1626a_100000726175_100000741018 [0,1,0,0,0,0|3,0,0]=4 163 B24R3.37409406 O=C(CCCCc1ccc(cc1)Br)N2Cc3cccnc3C2 240690a_100000726175_100000741018 [0,1,0,0,0,0|3,0,0]=4 164 B24R3.37409406 O=C(CCCCc1ccc(cc1)Br)N2Cc3cccnc3C2 527a_100000726175_100000741018 [0,1,0,0,0,0|3,0,0]=4 165 B24R3.37409406 O=C(CCCCc1ccc(cc1)Cl)N2Cc3cccnc3C2 11a_100000726175_100000684701 [0,1,0,0,0,0|3,0,0]=4 166 B24R3.37409406 O=C(CCCCc1ccc(cc1)Cl)N2Cc3cccnc3C2 1626a_100000726175_100000684701 [0,1,0,0,0,0|3,0,0]=4 167 B24R3.37409406 O=C(CCCCc1ccc(cc1)Cl)N2Cc3cccnc3C2 240690a_100000726175_100000684701 [0,1,0,0,0,0|3,0,0]=4 168 B24R3.37409406 O=C(CCCCc1ccc(cc1)Cl)N2Cc3cccnc3C2 527a_100000726175_100000684701 [0,1,0,0,0,0|3,0,0]=4 169 B24R3.37409406 O=C(CCCCc1ccc(cc1)F)C2=Cc3ccccc3C2 1458a_100009862756_100012093538 [0,1,0,0,0,0|3,0,0]=4 170 B24R3.37409406 O=C(CCCCc1ccc(cc1)F)C2Cc3ccccc3O2 1458a_100000209886_100012093538 [0,1,0,0,0,0|2,0,1]=4 171 B24R3.37409406 O=C(CCCCc1ccc(cc1)F)N2Cc3cccnc3C2 11a_100000726175_100000703604 [0,1,0,0,0,0|3,0,0]=4 172 B24R3.37409406 O=C(CCCCc1ccc(cc1)F)N2Cc3cccnc3C2 1626a_100000726175_100000703604 [0,1,0,0,0,0|3,0,0]=4 173 B24R3.37409406 O=C(CCCCc1ccc(cc1)F)N2Cc3cccnc3C2 240690a_100000726175_100000703604 [0,1,0,0,0,0|3,0,0]=4 174 B24R3.37409406 O=C(CCCCc1ccc(cc1)F)N2Cc3cccnc3C2 527a_100000726175_100000703604 [0,1,0,0,0,0|3,0,0]=4 175 B24R3.37409406 O=C(CCCCc1ccc(cc1)I)N2Cc3cccnc3C2 11a_100000726175_100000749853 [0,1,0,0,0,0|3,0,0]=4 176 B24R3.37409406 O=C(CCCCc1ccc(cc1)I)N2Cc3cccnc3C2 1626a_100000726175_100000749853 [0,1,0,0,0,0|3,0,0]=4 177 B24R3.37409406 O=C(CCCCc1ccc(cc1)I)N2Cc3cccnc3C2 240690a_100000726175_100000749853 [0,1,0,0,0,0|3,0,0]=4 178 B24R3.37409406 O=C(CCCCc1ccc(cc1)I)N2Cc3cccnc3C2 527a_100000726175_100000749853 [0,1,0,0,0,0|3,0,0]=4 179 B24R3.37409406 O=C(CCCCc1ccc(cc1)O)N2Cc3cccnc3C2 240690a_100000726175_100000047048 [0,1,0,0,0,0|3,0,0]=4 180 B24R3.37409406 O=C(CCCCc1ccc(cc1)O)N2Cc3cccnc3C2 527a_100000726175_100000047048 [0,1,0,0,0,0|3,0,0]=4 181 B24R3.37409406 O=C(CNCCc1ccc(cc1)Br)c2nc3ccccc3s2 2230a_100000755846_100000198972 [0,1,0,0,0,0|2,1,0]=4 182 B24R3.37409406 O=C(CNCCc1ccc(cc1)Cl)c2nc3ccccc3s2 2230a_100000185265_100000198972 [0,1,0,0,0,0|2,1,0]=4 183 B24R3.37409406 O=C(CNCCc1ccc(cc1)F)c2nc3ccccc3s2 2230a_100000199005_100000198972 [0,1,0,0,0,0|2,1,0]=4 184 B24R3.37409406 O=C(CSCCc1ccc(cc1)Br)c2cc3ccccc3o2 62a_100011740612_100000209828 [0,1,0,0,0,0|3,0,0]=4 185 B24R3.37409406 O=C(CSCCc1ccc(cc1)Br)c2nc3ccccc3s2 62a_100000198972_100011740612 [0,1,0,0,0,0|2,1,0]=4 186 B24R3.37409406 O=C(CSCCc1ccc(cc1)Cl)c2cc3ccccc3o2 62a_100011713675_100000209828 [0,1,0,0,0,0|3,0,0]=4 187 B24R3.37409406 O=C(CSCCc1ccc(cc1)Cl)c2nc3ccccc3s2 62a_100000198972_100011713675 [0,1,0,0,0,0|2,1,0]=4 188 B24R3.37409406 O=C(CSCCc1ccc(cc1)F)c2cc3ccccc3o2 62a_100011217392_100000209828 [0,1,0,0,0,0|3,0,0]=4 189 B24R3.37409406 O=C(CSCCc1ccc(cc1)F)c2nc3ccccc3s2 62a_100000198972_100011217392 [0,1,0,0,0,0|2,1,0]=4 190 B24R3.37409406 O=C(CSCCc1ccc(cc1)O)c2cc3ccccc3o2 62a_100009816426_100000209828 [0,1,0,0,0,0|3,0,0]=4 191 B24R3.37409406 O=C(CSCCc1ccc(cc1)O)c2nc3ccccc3s2 62a_100000198972_100009816426 [0,1,0,0,0,0|2,1,0]=4 192 B24R3.52280632 CN(CCc1ccccc1)CC(=O)c2cc3ccccc3o2 269982a_100000207497_100000209828 [0,1,0,0,0,0|3,0,0]=4 193 B24R3.52280632 CN(CCc1ccccc1)CC(=O)c2nc3ccccc3s2 2230a_100000207497_100000198972 [0,1,0,0,0,0|2,1,0]=4 194 B24R3.52280632 CN(CCc1ccccc1)CC(=O)c2nc3ccccc3s2 269982a_100000207497_100000198972 [0,1,0,0,0,0|2,1,0]=4 195 B24R3.52280632 O=C(CCc1ccccc1)CC(=O)c2cc3ccccc3o2 1458a_100000185753_100000209828 [0,1,0,0,0,0|2,0,1]=4 196 B24R3.248836599 CC(CCCc1ccccc1)C(=O)C2=Cc3ccccc3C2 1458a_100009862756_200010759516 [0,1,0,0,0,0|3,0,0]=4 197 B24R3.248836599 CC(CCCc1ccccc1)C(=O)C2Cc3ccccc3O2 1458a_100000209886_200010759516 [0,1,0,0,0,0|2,0,1]=4 198 B22R2.202375 Cc1ccccc1OCC(=O)CCCCc2ccccc2 1458a_100000182418_100000701786 [0,0,1,0,0,0|2,0,1]=4 199 B22R2.202375 Cc1cccnc1CNC(=O)CCCCc2ccccc2 11a_100011223789_100011215911 [0,0,1,0,0,0|3,0,0]=4 200 B22R2.202375 Cc1cccnc1CNC(=O)CCCCc2ccccc2 1626a_100011223789_100011215911 [0,0,1,0,0,0|3,0,0]=4 201 B22R2.202375 Cc1cccnc1CNC(=O)CCCCc2ccccc2 240690a_100011223789_100011215911 [0,0,1,0,0,0|3,0,0]=4 202 B22R2.202375 Cc1cccnc1CNC(=O)CCCCc2ccccc2 527a_100011223789_100011215911 [0,0,1,0,0,0|3,0,0]=4 203 B22R2.202375 Cc1cccnc1NNC(=O)CCCCc2ccccc2 22a_100000708268_100011215911 [0,0,1,0,0,0|2,0,1]=4 204 B22R2.202375 Cc1ncccc1NNC(=O)CCCCc2ccccc2 22a_100000730703_100011215911 [0,0,1,0,0,0|3,0,0]=4 205 B22R2.202375 Cc1ncccc1OCC(=O)NCCCc2ccccc2 34a_100000745507_100000182878 [0,0,1,0,0,0|2,0,1]=4 206 B22R2.202375 Cc1ncccc1OCC(=O)NCCCc2ccccc2 7a_100000745507_100000182878 [0,0,1,0,0,0|2,0,1]=4 207 B22R2.202375 Nc1ncccc1OCC(=O)NCCCc2ccccc2 34a_100000211975_100000182878 [0,0,1,0,0,0|1,0,2]=4 208 B22R2.202375 Nc1ncccc1OCC(=O)NCCCc2ccccc2 7a_100000211975_100000182878 [0,0,1,0,0,0|1,0,2]=4 209 B22R2.202375 O=C(C=Cc1ccccc1Br)CCCCc2ccccc2 1458a_100000719032_100000701786 [0,0,1,0,0,0|3,0,0]=4 210 B22R2.202375 O=C(C=Cc1ccccc1Cl)CCCCc2ccccc2 1458a_100000720304_100000701786 [0,0,1,0,0,0|3,0,0]=4 211 B22R2.202375 O=C(C=Cc1ccccc1F)CCCCc2ccccc2 1458a_100016256065_100000701786 [0,0,1,0,0,0|3,0,0]=4 212 B22R2.202375 O=C(C=Cc1ccccc1O)CCCCc2ccccc2 1458a_100016263591_100000701786 [0,0,1,0,0,0|2,0,0]=3 213 B22R2.202375 O=C(C=Cc1ccccc1O)CCCCc2ccncc2 1458a_100016263591_100020630000 [0,0,1,0,0,0|3,0,0]=4 214 B22R2.202375 O=C(C=Cc1ccccc1O)CCCOc2ccccc2 1458a_100016263591_100000199009 [0,0,1,0,0,0|3,0,0]=4 215 B22R2.202375 O=C(C=Cc1ccccc1O)CCCSc2ccccc2 1458a_100016263591_200011203293 [0,0,1,0,0,0|3,0,0]=4 216 B22R2.202375 O=C(C=Cc1ccccc1O)CCOCc2ccccc2 1458a_100016263591_100000234347 [0,0,1,0,0,0|3,0,0]=4 217 B22R2.202375 O=C(C=Cc1ccccc1O)CCSCc2ccccc2 1458a_100016263591_200011297719 [0,0,1,0,0,0|3,0,0]=4 218 B22R2.202375 O=C(CCCCc1ccccc1)CCc2ccccc2O 1458a_100000181328_100000701786 [0,0,1,0,0,0|2,0,1]=4 219 B22R2.202375 O=C(CCCCc1ccccc1)CCc2ccccc2O 1458a_100011215911_100000722297 [0,0,1,0,0,0|2,0,1]=4 220 B22R2.202375 O=C(CCCCc1ccccc1)COc2ccccc2Br 1458a_100000216496_100000701786 [0,0,1,0,0,0|2,0,1]=4 221 B22R2.202375 O=C(CCCCc1ccccc1)COc2ccccc2Cl 1458a_100000185159_100000701786 [0,0,1,0,0,0|2,0,1]=4 222 B22R2.202375 O=C(CCCCc1ccccc1)COc2ccccc2F 1458a_100000182486_100000701786 [0,0,1,0,0,0|2,0,1]=4 223 B22R2.202375 O=C(CCCCc1ccccc1)COc2ccccc2O 1458a_100000183020_100000701786 [0,0,1,0,0,0|2,0,1]=4 224 B22R2.202375 O=C(CCCCc1ccccc1)CSc2ccccc2O 1458a_100000695322_100000701786 [0,0,1,0,0,0|2,0,1]=4 225 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ccccc2O 240690a_100000185550_100011215911 [0,0,1,0,0,0|3,0,0]=4 226 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ccccc2O 527a_100000185550_100011215911 [0,0,1,0,0,0|3,0,0]=4 227 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Br 11a_100009818023_100011215911 [0,0,1,0,0,0|3,0,0]=4 228 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Br 240690a_100009818023_100011215911 [0,0,1,0,0,0|3,0,0]=4 229 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Br 527a_100009818023_100011215911 [0,0,1,0,0,0|3,0,0]=4 230 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Cl 11a_100015189234_100011215911 [0,0,1,0,0,0|3,0,0]=4 231 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Cl 1626a_100015189234_100011215911 [0,0,1,0,0,0|3,0,0]=4 232 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Cl 240690a_100015189234_100011215911 [0,0,1,0,0,0|3,0,0]=4 233 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2Cl 527a_100015189234_100011215911 [0,0,1,0,0,0|3,0,0]=4 234 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2F 11a_100000724633_100011215911 [0,0,1,0,0,0|3,0,0]=4 235 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2F 1626a_100000724633_100011215911 [0,0,1,0,0,0|3,0,0]=4 236 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2F 240690a_100000724633_100011215911 [0,0,1,0,0,0|3,0,0]=4 237 B22R2.202375 O=C(CCCCc1ccccc1)NCc2cccnc2F 527a_100000724633_100011215911 [0,0,1,0,0,0|3,0,0]=4 238 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Br 11a_100020591323_100011215911 [0,0,1,0,0,0|3,0,0]=4 239 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Br 240690a_100020591323_100011215911 [0,0,1,0,0,0|3,0,0]=4 240 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Br 527a_100020591323_100011215911 [0,0,1,0,0,0|3,0,0]=4 241 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Cl 11a_100015189233_100011215911 [0,0,1,0,0,0|3,0,0]=4 242 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Cl 1626a_100015189233_100011215911 [0,0,1,0,0,0|3,0,0]=4 243 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Cl 240690a_100015189233_100011215911 [0,0,1,0,0,0|3,0,0]=4 244 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2Cl 527a_100015189233_100011215911 [0,0,1,0,0,0|3,0,0]=4 245 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2F 11a_100000690088_100011215911 [0,0,1,0,0,0|3,0,0]=4 246 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2F 1626a_100000690088_100011215911 [0,0,1,0,0,0|3,0,0]=4 247 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2F 240690a_100000690088_100011215911 [0,0,1,0,0,0|3,0,0]=4 248 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ncccc2F 527a_100000690088_100011215911 [0,0,1,0,0,0|3,0,0]=4 249 B22R2.202375 O=C(CCCCc1ccccc1)NNc2ncccc2Br 22a_100011464834_100011215911 [0,0,1,0,0,0|2,0,1]=4 250 B22R2.202375 O=C(CCCCc1ccccc1)NNc2ncccc2Cl 22a_100000741667_100011215911 [0,0,1,0,0,0|2,0,1]=4 251 B22R2.202375 O=C(CCCCc1ccccc1)NNc2ncccc2F 22a_100000717775_100011215911 [0,0,1,0,0,0|2,0,1]=4 252 B22R2.202375 O=C(CCCCc1ccccc1)NNc2ncccc2I 22a_100010221029_100011215911 [0,0,1,0,0,0|2,0,1]=4 253 B22R2.202375 O=C(COc1cccnc1Br)NCCCc2ccccc2 34a_100000744436_100000182878 [0,0,1,0,0,0|2,0,1]=4 254 B22R2.202375 O=C(COc1cccnc1Br)NCCCc2ccccc2 7a_100000744436_100000182878 [0,0,1,0,0,0|2,0,1]=4 255 B22R2.202375 O=C(COc1cccnc1Cl)NCCCc2ccccc2 34a_100000757616_100000182878 [0,0,1,0,0,0|2,0,1]=4 256 B22R2.202375 O=C(COc1cccnc1Cl)NCCCc2ccccc2 7a_100000757616_100000182878 [0,0,1,0,0,0|2,0,1]=4 257 B22R2.202375 O=C(COc1cccnc1F)NCCCc2ccccc2 34a_100000061740_100000182878 [0,0,1,0,0,0|2,0,1]=4 258 B22R2.202375 O=C(COc1cccnc1F)NCCCc2ccccc2 7a_100000061740_100000182878 [0,0,1,0,0,0|2,0,1]=4 259 B22R2.202375 O=C(COc1cccnc1I)NCCCc2ccccc2 34a_100000034122_100000182878 [0,0,1,0,0,0|2,0,1]=4 260 B22R2.202375 O=C(COc1cccnc1I)NCCCc2ccccc2 7a_100000034122_100000182878 [0,0,1,0,0,0|2,0,1]=4 261 B22R2.202375 O=C(CSc1ncccc1O)NCCCc2ccccc2 62a_100000034122_100000182878 [0,0,1,0,0,0|2,0,1]=4 262 B22R2.202375 O=C(CSc1ncccc1O)NCCCc2ccccc2 62a_100000182878_100000034122 [0,0,1,0,0,0|2,0,1]=4 263 B22R2.359951 C/C(=C\c1ccccc1)/C(=O)CCCCc2ccccc2 1458a_100016990649_100000701786 [0,0,1,0,0,0|3,0,0]=4 264 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)CCCCc2ccccc2 1458a_100025712827_100000701786 [0,0,1,0,0,0|2,0,0]=3 265 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)CCCCc2ccncc2 1458a_100025712827_100020630000 [0,0,1,0,0,0|3,0,0]=4 266 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)CCCOc2ccccc2 1458a_100025712827_100000199009 [0,0,1,0,0,0|3,0,0]=4 267 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)CCCSc2ccccc2 1458a_100025712827_200011203293 [0,0,1,0,0,0|3,0,0]=4 268 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)CCOCc2ccccc2 1458a_100025712827_100000234347 [0,0,1,0,0,0|3,0,0]=4 269 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)CCSCc2ccccc2 1458a_100025712827_200011297719 [0,0,1,0,0,0|3,0,0]=4 270 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)NCCCc2ccccc2 11a_100000211184_100025712827 [0,0,1,0,0,0|3,0,0]=4 271 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)NCCCc2ccccc2 1626a_100000211184_100025712827 [0,0,1,0,0,0|3,0,0]=4 272 B22R2.359951 C/C(=C\c1ccccn1)/C(=O)NCCCc2ccccc2 527a_100000211184_100025712827 [0,0,1,0,0,0|3,0,0]=4 273 B22R2.359951 CC(Cc1ccccn1)C(=O)CCCCc2ccccc2 1458a_100012000792_100000701786 [0,0,1,0,0,0|2,0,1]=4 274 B22R2.359951 CC(Oc1ccccc1)C(=O)CCCCc2ccccc2 1458a_100000188414_100000701786 [0,0,1,0,0,0|2,0,1]=4 275 B22R2.359951 CC(Sc1ccccn1)C(=O)CCCCc2ccccc2 1458a_100000156770_100000701786 [0,0,1,0,0,0|2,0,1]=4 276 B22R2.359951 CN(Cc1ccccn1)C(=O)CCCCc2ccccc2 11a_100000207498_100011215911 [0,0,1,0,0,0|3,0,0]=4 277 B22R2.359951 CN(Cc1ccccn1)C(=O)CCCCc2ccccc2 240690a_100000207498_100011215911 [0,0,1,0,0,0|3,0,0]=4 278 B22R2.359951 CN(Cc1ccccn1)C(=O)CCCCc2ccccc2 527a_100000207498_100011215911 [0,0,1,0,0,0|3,0,0]=4 279 B22R2.359951 CN(Cc1cccnc1)C(=O)CCCCc2ccccc2 11a_100000184577_100011215911 [0,0,1,0,0,0|3,0,0]=4 280 B22R2.359951 CN(Cc1cccnc1)C(=O)CCCCc2ccccc2 240690a_100000184577_100011215911 [0,0,1,0,0,0|3,0,0]=4 281 B22R2.359951 CN(Cc1cccnc1)C(=O)CCCCc2ccccc2 527a_100000184577_100011215911 [0,0,1,0,0,0|3,0,0]=4 282 B22R2.359951 O=C(CCCCc1ccccc1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000701786 [0,0,1,0,0,0|3,0,0]=4 283 B22R2.359951 O=C(CCCCc1ccccc1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000701786 [0,0,1,0,0,0|3,0,0]=4 284 B22R2.359951 O=C(CCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100000701786 [0,0,1,0,0,0|2,0,0]=3 285 B22R2.359951 O=C(CCCCc1ccccc1)C(=O)Nc2ccccc2 1458a_100000738435_100000701786 [0,0,1,0,0,0|1,0,2]=4 286 B22R2.359951 O=C(CCCCc1ccccc1)[C@H](O)Cc2ccccc2 1458a_100009816399_100000701786 [0,0,1,0,0,0|2,0,1]=4 287 B22R2.359951 O=C(CCCCc1ccncc1)C(=Cc2cccnc2)F 1458a_100000731744_100020630000 [0,0,1,0,0,0|3,0,0]=4 288 B22R2.359951 O=C(CCCOc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100000199009 [0,0,1,0,0,0|3,0,0]=4 289 B22R2.359951 O=C(CCCSc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200011203293 [0,0,1,0,0,0|3,0,0]=4 290 B22R2.359951 O=C(CCOCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100000234347 [0,0,1,0,0,0|3,0,0]=4 291 B22R2.359951 O=C(CCSCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200011297719 [0,0,1,0,0,0|3,0,0]=4 292 B22R2.359951 O=C(NCCCc1ccccc1)C(=Cc2cccnc2)F 11a_100000211184_100000731744 [0,0,1,0,0,0|3,0,0]=4 293 B22R2.359951 O=C(NCCCc1ccccc1)C(=Cc2cccnc2)F 240690a_100000211184_100000731744 [0,0,1,0,0,0|3,0,0]=4 294 B22R2.359951 O=C(NCCCc1ccccc1)C(=Cc2cccnc2)F 527a_100000211184_100000731744 [0,0,1,0,0,0|3,0,0]=4 295 B24R4.1622655 O=C(CC1CCc2c1cccc2)N3Cc4cccnc4C3 11a_100000726175_100000756587 [0,0,0,1,0,0|3,0,0]=4 296 B24R4.1622655 O=C(CC1CCc2c1cccc2)N3Cc4cccnc4C3 1626a_100000726175_100000756587 [0,0,0,1,0,0|3,0,0]=4 297 B24R4.1622655 O=C(CC1CCc2c1cccc2)N3Cc4cccnc4C3 240690a_100000726175_100000756587 [0,0,0,1,0,0|3,0,0]=4 298 B24R4.1622655 O=C(CC1CCc2c1cccc2)N3Cc4cccnc4C3 527a_100000726175_100000756587 [0,0,0,1,0,0|3,0,0]=4 299 B24R4.145169885 O=C(C1CCCc2c1cccc2)N3Cc4cccnc4C3 11a_100000726175_100011198263 [0,0,0,1,0,0|3,0,0]=4 300 B24R4.145169885 O=C(C1CCCc2c1cccc2)N3Cc4cccnc4C3 1626a_100000726175_100011198263 [0,0,0,1,0,0|3,0,0]=4 301 B24R4.145169885 O=C(C1CCCc2c1cccc2)N3Cc4cccnc4C3 240690a_100000726175_100011198263 [0,0,0,1,0,0|3,0,0]=4 302 B24R4.145169885 O=C(C1CCCc2c1cccc2)N3Cc4cccnc4C3 527a_100000726175_100011198263 [0,0,0,1,0,0|3,0,0]=4 303 B24R4.341390225 O=C(CSC1Cc2c1cccc2)c3cc4ccccc4o3 62a_100009813401_100000209828 [0,0,0,1,0,0|3,0,0]=4 304 B24R4.341390225 O=C(CSC1Cc2c1cccc2)c3nc4ccccc4s3 62a_100000198972_100009813401 [0,0,0,1,0,0|2,1,0]=4 305 B22R3.789354 O=C(CCCCc1ccccc1)C2Cc3c2cccc3 1458a_200000238571_100000701786 [0,0,0,0,1,0|2,0,1]=4 306 B22R3.12500697 O=C(CCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100000211621 [0,0,0,0,1,0|3,0,0]=4 307 B22R3.12500697 O=C(CCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100000211621 [0,0,0,0,1,0|2,0,1]=4 308 B22R3.12500697 O=C(CCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100011207963 [0,0,0,0,1,0|3,0,0]=4 309 B22R3.12500697 O=C(CCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100011207963 [0,0,0,0,1,0|3,0,0]=4 310 B22R3.12500697 O=C(CCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100011207963 [0,0,0,0,1,0|3,0,0]=4 311 B22R3.12500697 O=C(CCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100011207963 [0,0,0,0,1,0|3,0,0]=4 312 B22R3.12500697 O=C(CNCc1ccccc1)c2nc3ccccc3s2 2230a_100015324214_100000198972 [0,0,0,0,1,0|2,1,0]=4 313 B22R3.12500697 O=C(CSCc1ccccc1)c2cc3ccccc3o2 62a_100000211182_100000209828 [0,0,0,0,1,0|3,0,0]=4 314 B22R3.12500697 O=C(CSCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100015291786 [0,0,0,0,1,0|2,1,0]=4 315 B24R3.446311 CN(CCCCc1ccccc1)c2ccc3cccnc3n2 27a_100000741445_100000075685 [0,0,0,0,0,1|3,0,0]=4 316 B24R3.446311 CN(CCCCc1ccccc1)c2cnc3cccnc3n2 27a_100000741445_200010275043 [0,0,0,0,0,1|3,0,0]=4 317 B24R3.446311 CN(CCCCc1ccccc1)c2cnc3ncccc3n2 27a_100000741445_100000084304 [0,0,0,0,0,1|3,0,0]=4 318 B24R3.446311 CN(CCCCc1ccccc1)c2ncc3cccnc3n2 27a_100000741445_100009875485 [0,0,0,0,0,1|3,0,0]=4 319 B24R3.446311 O=C(CCCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100000701786 [0,0,0,0,0,1|2,0,0]=3 320 B24R3.446311 O=C(CCCCc1ccccc1)C2CCc3ccccc3O2 1458a_100000065239_100000701786 [0,0,0,0,0,1|2,0,1]=4 321 B24R3.446311 O=C(CCCCc1ccccc1)C2COc3ccccc3C2 1458a_100000203760_100000701786 [0,0,0,0,0,1|2,0,1]=4 322 B24R3.446311 O=C(CCCCc1ccccc1)C2COc3ccccc3O2 1458a_100000182656_100000701786 [0,0,0,0,0,1|2,0,1]=4 323 B24R3.446311 O=C(CCCCc1ccccc1)C2Cc3ccccc3CO2 1458a_100009880028_100000701786 [0,0,0,0,0,1|2,0,1]=4 324 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3cccnc3C2 11a_100015206102_100011215911 [0,0,0,0,0,1|3,0,0]=4 325 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3cccnc3C2 1626a_100015206102_100011215911 [0,0,0,0,0,1|3,0,0]=4 326 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3cccnc3C2 240690a_100015206102_100011215911 [0,0,0,0,0,1|3,0,0]=4 327 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3cccnc3C2 527a_100015206102_100011215911 [0,0,0,0,0,1|3,0,0]=4 328 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3ncccc3C2 11a_100000699647_100011215911 [0,0,0,0,0,1|3,0,0]=4 329 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3ncccc3C2 240690a_100000699647_100011215911 [0,0,0,0,0,1|3,0,0]=4 330 B24R3.446311 O=C(CCCCc1ccccc1)N2CCc3ncccc3C2 527a_100000699647_100011215911 [0,0,0,0,0,1|3,0,0]=4 331 B24R3.446311 O=C(CCCCc1ccccc1)c2ccc3ccccc3c2 1458a_100000210637_100000701786 [0,0,0,0,0,1|3,0,0]=4 332 B24R3.446311 O=C(CCCCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100000701786 [0,0,0,0,0,1|2,0,0]=3 333 B24R3.446311 O=C(CCCCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100000701786 [0,0,0,0,0,1|2,0,0]=3 334 B24R3.446311 O=C(CCCCc1ccccc1)c2ccc3nccnc3c2 1458a_100000184533_100000701786 [0,0,0,0,0,1|3,0,0]=4 335 B24R3.446311 O=C(CCCCc1ccncc1)C2=Cc3ccccc3OC2 1458a_100000018039_100020630000 [0,0,0,0,0,1|3,0,0]=4 336 B24R3.446311 O=C(CCCCc1ccncc1)c2ccc3cccnc3c2 1458a_100011933907_100020630000 [0,0,0,0,0,1|3,0,0]=4 337 B24R3.446311 O=C(CCCCc1ccncc1)c2ccc3ncccc3c2 1458a_100011216044_100020630000 [0,0,0,0,0,1|3,0,0]=4 338 B24R3.446311 O=C(CCCOc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100000199009 [0,0,0,0,0,1|3,0,0]=4 339 B24R3.446311 O=C(CCCOc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100000199009 [0,0,0,0,0,1|3,0,0]=4 340 B24R3.446311 O=C(CCCOc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100000199009 [0,0,0,0,0,1|3,0,0]=4 341 B24R3.446311 O=C(CCCSc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200011203293 [0,0,0,0,0,1|3,0,0]=4 342 B24R3.446311 O=C(CCCSc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200011203293 [0,0,0,0,0,1|3,0,0]=4 343 B24R3.446311 O=C(CCCSc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200011203293 [0,0,0,0,0,1|3,0,0]=4 344 B24R3.446311 O=C(CCOCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100000234347 [0,0,0,0,0,1|3,0,0]=4 345 B24R3.446311 O=C(CCOCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100000234347 [0,0,0,0,0,1|3,0,0]=4 346 B24R3.446311 O=C(CCOCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100000234347 [0,0,0,0,0,1|3,0,0]=4 347 B24R3.446311 O=C(CCSCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200011297719 [0,0,0,0,0,1|3,0,0]=4 348 B24R3.446311 O=C(CCSCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200011297719 [0,0,0,0,0,1|3,0,0]=4 349 B24R3.446311 O=C(CCSCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200011297719 [0,0,0,0,0,1|3,0,0]=4 350 B24R3.446311 O=C(NCCCc1ccccc1)C2=Cc3ccccc3OC2 11a_100000211184_100000018039 [0,0,0,0,0,1|3,0,0]=4 351 B24R3.446311 O=C(NCCCc1ccccc1)C2=Cc3ccccc3OC2 1626a_100000211184_100000018039 [0,0,0,0,0,1|3,0,0]=4 352 B24R3.446311 O=C(NCCCc1ccccc1)C2=Cc3ccccc3OC2 240690a_100000211184_100000018039 [0,0,0,0,0,1|3,0,0]=4 353 B24R3.446311 O=C(NCCCc1ccccc1)C2=Cc3ccccc3OC2 527a_100000211184_100000018039 [0,0,0,0,0,1|3,0,0]=4 354 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3cccnc3c2 11a_100000211184_100011933907 [0,0,0,0,0,1|3,0,0]=4 355 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3cccnc3c2 1626a_100000211184_100011933907 [0,0,0,0,0,1|3,0,0]=4 356 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3cccnc3c2 240690a_100000211184_100011933907 [0,0,0,0,0,1|3,0,0]=4 357 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3cccnc3c2 527a_100000211184_100011933907 [0,0,0,0,0,1|3,0,0]=4 358 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3ncccc3c2 11a_100000211184_100011216044 [0,0,0,0,0,1|3,0,0]=4 359 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3ncccc3c2 1626a_100000211184_100011216044 [0,0,0,0,0,1|3,0,0]=4 360 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3ncccc3c2 240690a_100000211184_100011216044 [0,0,0,0,0,1|3,0,0]=4 361 B24R3.446311 O=C(NCCCc1ccccc1)c2ccc3ncccc3c2 527a_100000211184_100011216044 [0,0,0,0,0,1|3,0,0]=4 362 B24R3.28927599 CN(CCCCc1ccccc1)Cc2cc3ncccc3o2 270004a_100000741445_100000104172 [0,0,0,0,0,1|3,0,0]=4 363 B24R3.28927599 CN(CCCCc1ccccc1)Cc2nc3ccccc3o2 2230a_100000741445_100000195508 [0,0,0,0,0,1|3,0,0]=4 364 B24R3.28927599 CN(CCCCc1ccccc1)Cc2nc3ccccc3o2 34a_100000741445_200012361514 [0,0,0,0,0,1|3,0,0]=4 365 B24R3.28927599 CN(CCCCc1ccccc1)Cc2nc3ncccc3o2 2230a_100000741445_100000696355 [0,0,0,0,0,1|2,0,0]=3 366 B24R3.28927599 CN(CCCOc1ccccc1)Cc2nc3ncccc3o2 2230a_100000225623_100000696355 [0,0,0,0,0,1|3,0,0]=4 367 B24R3.28927599 CN(CCCSc1ccccc1)Cc2nc3ncccc3o2 2230a_100015183843_100000696355 [0,0,0,0,0,1|3,0,0]=4 368 B24R3.28927599 CN(CCOCc1ccccc1)Cc2nc3ncccc3o2 2230a_100000687121_100000696355 [0,0,0,0,0,1|3,0,0]=4 369 B24R3.28927599 O=C(C=CCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100016484021_100000195508 [0,0,0,0,0,1|1,0,2]=4 370 B24R3.28927599 O=C(C=CCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100016484021_100000696355 [0,0,0,0,0,1|0,0,2]=3 371 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100000701786 [0,0,0,0,0,1|2,0,0]=3 372 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2cc3ccccc3s2 1458a_100012001211_100000701786 [0,0,0,0,0,1|2,1,0]=4 373 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2cn3ccccc3n2 1458a_100011215911_100000689847 [0,0,0,0,0,1|3,0,0]=4 374 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100011215911_100000737899 [0,0,0,0,0,1|2,0,0]=3 375 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100011215911_100000195508 [0,0,0,0,0,1|1,0,0]=2 376 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100000701786 [0,0,0,0,0,1|1,0,0]=2 377 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2nc3ccccc3s2 1458a_100011215911_100011217541 [0,0,0,0,0,1|1,1,0]=3 378 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100011215911_100011549802 [0,0,0,0,0,1|1,0,1]=3 379 B24R3.28927599 O=C(CCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100011215911_100000696355 [0,0,0,0,0,1|0,0,0]=1 380 B24R3.28927599 O=C(CCCCc1ccccc1)Cn2cc3ccccc3n2 1458a_100000060251_100000701786 [0,0,0,0,0,1|3,0,0]=4 381 B24R3.28927599 O=C(CCCCc1ccncc1)Cc2cc3ccccc3o2 1458a_100000735538_100020630000 [0,0,0,0,0,1|3,0,0]=4 382 B24R3.28927599 O=C(CCCCc1ccncc1)Cc2nc3ccccc3o2 1458a_100015185861_100020630000 [0,0,0,0,0,1|2,0,0]=3 383 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100000199009 [0,0,0,0,0,1|3,0,0]=4 384 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100000212059_100000737899 [0,0,0,0,0,1|3,0,0]=4 385 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_100000212059_100000195508 [0,0,0,0,0,1|2,0,0]=3 386 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100000199009 [0,0,0,0,0,1|2,0,0]=3 387 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2nc3ccccc3s2 1458a_100000212059_100011217541 [0,0,0,0,0,1|2,1,0]=4 388 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000212059_100011549802 [0,0,0,0,0,1|2,0,1]=4 389 B24R3.28927599 O=C(CCCOc1ccccc1)Cc2nc3ncccc3o2 1458a_100000212059_100000696355 [0,0,0,0,0,1|1,0,0]=2 390 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_200011203293 [0,0,0,0,0,1|3,0,0]=4 391 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100000182835_100000737899 [0,0,0,0,0,1|3,0,0]=4 392 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2nc3ccccc3o2 1458a_100000182835_100000195508 [0,0,0,0,0,1|2,0,0]=3 393 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200011203293 [0,0,0,0,0,1|2,0,0]=3 394 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2nc3ccccc3s2 1458a_100000182835_100011217541 [0,0,0,0,0,1|2,1,0]=4 395 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000182835_100011549802 [0,0,0,0,0,1|2,0,1]=4 396 B24R3.28927599 O=C(CCCSc1ccccc1)Cc2nc3ncccc3o2 1458a_100000182835_100000696355 [0,0,0,0,0,1|1,0,0]=2 397 B24R3.28927599 O=C(CCNCc1ccccc1)Nc2nc3ccccc3s2 2230a_100015324214_200011213626 [0,0,0,0,0,1|2,1,0]=4 398 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100000234347 [0,0,0,0,0,1|3,0,0]=4 399 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100000743319_100000737899 [0,0,0,0,0,1|3,0,0]=4 400 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100000743319_100000195508 [0,0,0,0,0,1|2,0,0]=3 401 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100000234347 [0,0,0,0,0,1|2,0,0]=3 402 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2nc3ccccc3s2 1458a_100000743319_100011217541 [0,0,0,0,0,1|2,1,0]=4 403 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000743319_100011549802 [0,0,0,0,0,1|2,0,1]=4 404 B24R3.28927599 O=C(CCOCc1ccccc1)Cc2nc3ncccc3o2 1458a_100000743319_100000696355 [0,0,0,0,0,1|1,0,0]=2 405 B24R3.28927599 O=C(CCOCc1ccccc1)Nc2nc3ccccc3s2 7a_100000210790_200011213626 [0,0,0,0,0,1|2,1,0]=4 406 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_200011297719 [0,0,0,0,0,1|3,0,0]=4 407 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100000173759_100000737899 [0,0,0,0,0,1|3,0,0]=4 408 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2nc3ccccc3o2 1458a_100000173759_100000195508 [0,0,0,0,0,1|2,0,0]=3 409 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200011297719 [0,0,0,0,0,1|2,0,0]=3 410 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2nc3ccccc3s2 1458a_100000173759_100011217541 [0,0,0,0,0,1|2,1,0]=4 411 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000173759_100011549802 [0,0,0,0,0,1|2,0,1]=4 412 B24R3.28927599 O=C(CCSCc1ccccc1)Cc2nc3ncccc3o2 1458a_100000173759_100000696355 [0,0,0,0,0,1|1,0,0]=2 413 B24R3.28927599 O=C(CCSCc1ccccn1)Cc2nc3ccccc3o2 1458a_100000742633_100000195508 [0,0,0,0,0,1|3,0,0]=4 414 B24R3.28927599 O=C(CCSCc1ccccn1)Cc2nc3ncccc3o2 1458a_100000742633_100000696355 [0,0,0,0,0,1|2,0,0]=3 415 B24R3.28927599 O=C(CCSSc1ccccn1)Cc2nc3ncccc3o2 1458a_100000068049_100000696355 [0,0,0,0,0,1|3,0,0]=4 416 B24R3.28927599 O=C(CNCCc1ccccc1)Nc2nc3ccccc3[nH]2 2230a_100000106460_100011353410 [0,0,0,0,0,1|3,0,0]=4 417 B24R3.28927599 O=C(CNCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100000106460_100000752643 [0,0,0,0,0,1|2,1,0]=4 418 B24R3.28927599 O=C(COCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000210268_100000752643 [0,0,0,0,0,1|2,1,0]=4 419 B24R3.28927599 O=C(Cc1cc2ccccc2o1)NCCCc3ccccc3 11a_100000211184_100000735538 [0,0,0,0,0,1|3,0,0]=4 420 B24R3.28927599 O=C(Cc1cc2ccccc2o1)NCCCc3ccccc3 240690a_100000211184_100000735538 [0,0,0,0,0,1|3,0,0]=4 421 B24R3.28927599 O=C(Cc1nc2ccccc2[nH]1)NCCCc3ccccc3 240690a_100000211184_100000188031 [0,0,0,0,0,1|3,0,0]=4 422 B24R3.28927599 O=C(Cc1nc2ccccc2o1)NNCCc3ccccc3 22a_100000740470_100015185861 [0,0,0,0,0,1|3,0,0]=4 423 B24R3.28927599 O=C(Cc1nc2ccccc2s1)NCCCc3ccccc3 240690a_100000211184_100000747980 [0,0,0,0,0,1|2,1,0]=4 424 B24R3.28951759 O=C(CCCCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200011217138 [0,0,0,0,0,1|3,0,0]=4 425 B24R3.28951759 O=C(CCCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200011217138 [0,0,0,0,0,1|2,0,1]=4 426 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100011216832 [0,0,0,0,0,1|3,0,0]=4 427 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100011216832 [0,0,0,0,0,1|3,0,0]=4 428 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100011216832 [0,0,0,0,0,1|3,0,0]=4 429 B24R3.28951759 O=C(CCCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100011216832 [0,0,0,0,0,1|3,0,0]=4 430 B24R3.28951759 O=C(CCCCOc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100011215240 [0,0,0,0,0,1|3,0,0]=4 431 B24R3.28951759 O=C(CCCCOc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100011215240 [0,0,0,0,0,1|2,0,1]=4 432 B24R3.28951759 O=C(CCCCOc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_200011216290 [0,0,0,0,0,1|3,0,0]=4 433 B24R3.28951759 O=C(CCCCOc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_200011216290 [0,0,0,0,0,1|3,0,0]=4 434 B24R3.28951759 O=C(CCCCOc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_200011216290 [0,0,0,0,0,1|3,0,0]=4 435 B24R3.28951759 O=C(CCCCOc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_200011216290 [0,0,0,0,0,1|3,0,0]=4 436 B24R3.28951759 O=C(CCCOCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100011215529 [0,0,0,0,0,1|3,0,0]=4 437 B24R3.28951759 O=C(CCCOCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100011215529 [0,0,0,0,0,1|2,0,1]=4 438 B24R3.28951759 O=C(CCCOCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000748059 [0,0,0,0,0,1|3,0,0]=4 439 B24R3.28951759 O=C(CCCOCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000748059 [0,0,0,0,0,1|3,0,0]=4 440 B24R3.28951759 O=C(CCCOCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000748059 [0,0,0,0,0,1|3,0,0]=4 441 B24R3.28951759 O=C(CCCOCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000748059 [0,0,0,0,0,1|3,0,0]=4 442 B24R3.28951759 O=C(CNCCCc1ccccc1)c2cc3ccccc3s2 2230a_100000211184_100012351422 [0,0,0,0,0,1|2,1,0]=4 443 B24R3.28951759 O=C(CNCCCc1ccccc1)c2nc3ccccc3s2 2230a_100000211184_100000198972 [0,0,0,0,0,1|1,1,0]=3 444 B24R3.28951759 O=C(CNCCCc1cccnc1)c2nc3ccccc3s2 2230a_100011532358_100000198972 [0,0,0,0,0,1|2,1,0]=4 445 B24R3.28951759 O=C(CNCCCc1ccncc1)c2nc3ccccc3s2 2230a_100011275580_100000198972 [0,0,0,0,0,1|2,1,0]=4 446 B24R3.28951759 O=C(CNCCOc1ccccc1)c2nc3ccccc3s2 2230a_100000174943_100000198972 [0,0,0,0,0,1|2,1,0]=4 447 B24R3.28951759 O=C(CNCCSc1ccccc1)c2nc3ccccc3s2 2230a_100000189519_100000198972 [0,0,0,0,0,1|2,1,0]=4 448 B24R3.28951759 O=C(COCCCc1ccccc1)c2cc3ccccc3s2 7a_100000210828_100012351422 [0,0,0,0,0,1|2,1,0]=4 449 B24R3.28951759 O=C(CSCCCc1ccccc1)c2cc3ccccc3o2 62a_100000211621_100000209828 [0,0,0,0,0,1|2,0,0]=3 450 B24R3.28951759 O=C(CSCCCc1ccccc1)c2cc3ccccc3s2 62a_100012351422_100000211621 [0,0,0,0,0,1|2,1,0]=4 451 B24R3.28951759 O=C(CSCCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000211621 [0,0,0,0,0,1|1,1,0]=3 452 B24R3.28951759 O=C(CSCCOc1ccccc1)c2cc3ccccc3o2 62a_100000184471_100000209828 [0,0,0,0,0,1|3,0,0]=4 453 B24R3.28951759 O=C(CSCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000184471 [0,0,0,0,0,1|2,1,0]=4 454 B24R3.28951759 O=C(CSCCSc1ccccc1)c2cc3ccccc3o2 62a_100000246102_100000209828 [0,0,0,0,0,1|3,0,0]=4 455 B24R3.28951759 O=C(CSCCSc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000246102 [0,0,0,0,0,1|2,1,0]=4 456 B24R3.28951759 O=C(CSCOCc1ccccc1)c2cc3ccccc3o2 62a_100000763385_100000209828 [0,0,0,0,0,1|3,0,0]=4 457 B24R3.28951759 O=C(CSCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000763385 [0,0,0,0,0,1|2,1,0]=4 458 B24R3.28951759 O=C(CSCSCc1ccccc1)c2cc3ccccc3o2 62a_200011217039_100000209828 [0,0,0,0,0,1|3,0,0]=4 459 B24R3.28951759 O=C(CSCSCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011217039 [0,0,0,0,0,1|2,1,0]=4 460 B24R3.28951759 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3C2 11a_100015280158_100009862756 [0,0,0,0,0,1|3,0,0]=4 461 B24R3.28951759 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3C2 1626a_100015280158_100009862756 [0,0,0,0,0,1|3,0,0]=4 462 B24R3.28951759 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3C2 240690a_100015280158_100009862756 [0,0,0,0,0,1|3,0,0]=4 463 B24R3.28951759 O=C(NCCCCc1ccccc1)C2Cc3ccccc3O2 11a_100015280158_100000209886 [0,0,0,0,0,1|2,0,1]=4 464 B24R3.28951759 O=C(NCCCCc1ccccc1)C2Cc3ccccc3O2 1626a_100015280158_100000209886 [0,0,0,0,0,1|2,0,1]=4 465 B24R3.28951759 O=C(NCCCCc1ccccc1)C2Cc3ccccc3O2 240690a_100015280158_100000209886 [0,0,0,0,0,1|2,0,1]=4 466 B24R3.28951759 O=C(NCCCCc1ccccc1)C2Cc3ccccc3O2 527a_100015280158_100000209886 [0,0,0,0,0,1|2,0,1]=4 467 B24R3.28951759 O=C(NCCCCc1ccccc1)N2Cc3cccnc3C2 2708a_100015280158_100000726175 [0,0,0,0,0,1|3,0,0]=4 468 B24R3.28951759 O=C(NCCCCc1ccccc1)N2Cc3cccnc3C2 273464a_100015280158_100000726175 [0,0,0,0,0,1|3,0,0]=4 469 B24R3.28951759 O=C(NN=CCCc1ccccc1)c2nc3ccccc3o2 4a_200000092613_100000198083 [0,0,0,0,0,1|2,0,1]=4 470 B21R2.257631 O=C(C#Cc1ccccn1)CCCCc2ccccc2 1458a_102125277312_100000701786 [1,0,1,0,0,0|1,0,1]=4 471 B21R2.257631 O=C(C=Cc1ccccc1)CCCCc2ccccc2 1458a_100000210462_100000701786 [1,0,1,0,0,0|2,0,0]=4 472 B21R2.257631 O=C(C=Cc1ccccn1)CCCCc2ccccc2 1458a_100000740811_100000701786 [1,0,1,0,0,0|1,0,0]=3 473 B21R2.257631 O=C(C=Cc1ccccn1)CCCCc2ccncc2 1458a_100000740811_100020630000 [1,0,1,0,0,0|2,0,0]=4 474 B21R2.257631 O=C(C=Cc1ccccn1)CCCOc2ccccc2 1458a_100000740811_100000199009 [1,0,1,0,0,0|2,0,0]=4 475 B21R2.257631 O=C(C=Cc1ccccn1)CCCSc2ccccc2 1458a_100000740811_200011203293 [1,0,1,0,0,0|2,0,0]=4 476 B21R2.257631 O=C(C=Cc1ccccn1)CCOCc2ccccc2 1458a_100000740811_100000234347 [1,0,1,0,0,0|2,0,0]=4 477 B21R2.257631 O=C(C=Cc1ccccn1)CCSCc2ccccc2 1458a_100000740811_200011297719 [1,0,1,0,0,0|2,0,0]=4 478 B21R2.257631 O=C(C=Cc1ccccn1)NCCCc2ccccc2 11a_100000211184_100000740811 [1,0,1,0,0,0|2,0,0]=4 479 B21R2.257631 O=C(C=Cc1ccccn1)NCCCc2ccccc2 240690a_100000211184_100000740811 [1,0,1,0,0,0|2,0,0]=4 480 B21R2.257631 O=C(C=Cc1cccnc1)CCCCc2ccccc2 1458a_100000735890_100000701786 [1,0,1,0,0,0|1,0,0]=3 481 B21R2.257631 O=C(C=Cc1cccnc1)CCCCc2ccncc2 1458a_100000735890_100020630000 [1,0,1,0,0,0|2,0,0]=4 482 B21R2.257631 O=C(C=Cc1cccnc1)CCCOc2ccccc2 1458a_100000735890_100000199009 [1,0,1,0,0,0|2,0,0]=4 483 B21R2.257631 O=C(C=Cc1cccnc1)CCCSc2ccccc2 1458a_100000735890_200011203293 [1,0,1,0,0,0|2,0,0]=4 484 B21R2.257631 O=C(C=Cc1cccnc1)CCOCc2ccccc2 1458a_100000735890_100000234347 [1,0,1,0,0,0|2,0,0]=4 485 B21R2.257631 O=C(C=Cc1cccnc1)CCSCc2ccccc2 1458a_100000735890_200011297719 [1,0,1,0,0,0|2,0,0]=4 486 B21R2.257631 O=C(C=Cc1cccnc1)NCCCc2ccccc2 11a_100000211184_100000735890 [1,0,1,0,0,0|2,0,0]=4 487 B21R2.257631 O=C(C=Cc1cccnc1)NCCCc2ccccc2 240690a_100000211184_100000735890 [1,0,1,0,0,0|2,0,0]=4 488 B21R2.257631 O=C(C=Cc1cncnc1)CCCCc2ccccc2 6a_100000749868_200011485782 [1,0,1,0,0,0|2,0,0]=4 489 B21R2.257631 O=C(CCCCc1ccccc1)CCc2ccccn2 1458a_100011215911_100015183660 [1,0,1,0,0,0|1,0,1]=4 490 B21R2.257631 O=C(CCCCc1ccccc1)CCc2ccccn2 1458a_100015195070_100000701786 [1,0,1,0,0,0|1,0,1]=4 491 B21R2.257631 O=C(CCCCc1ccccc1)CCc2cccnc2 1458a_100000198484_100000701786 [1,0,1,0,0,0|1,0,1]=4 492 B21R2.257631 O=C(CCCCc1ccccc1)CCc2cccnc2 1458a_100011215911_200011713674 [1,0,1,0,0,0|1,0,1]=4 493 B21R2.257631 O=C(CCCCc1ccccc1)COc2ccccc2 1458a_100000186222_100000701786 [1,0,1,0,0,0|1,0,1]=4 494 B21R2.257631 O=C(CCCCc1ccccc1)COc2ccccn2 1458a_100102699861_100000701786 [1,0,1,0,0,0|1,0,1]=4 495 B21R2.257631 O=C(CCCCc1ccccc1)COc2cccnc2 1458a_100015207166_100000701786 [1,0,1,0,0,0|0,0,1]=3 496 B21R2.257631 O=C(CCCCc1ccccc1)CSc2ccccn2 1458a_100000156281_100000701786 [1,0,1,0,0,0|1,0,1]=4 497 B21R2.257631 O=C(CCCCc1ccccc1)NCc2ccccn2 11a_100000210449_100011215911 [1,0,1,0,0,0|2,0,0]=4 498 B21R2.257631 O=C(CCCCc1ccccc1)NCc2ccccn2 1626a_100000210449_100011215911 [1,0,1,0,0,0|2,0,0]=4 499 B21R2.257631 O=C(CCCCc1ccccc1)NCc2ccccn2 240690a_100000210449_100011215911 [1,0,1,0,0,0|2,0,0]=4 500 B21R2.257631 O=C(CCCCc1ccccc1)NCc2ccccn2 527a_100000210449_100011215911 [1,0,1,0,0,0|2,0,0]=4 501 B21R2.257631 O=C(CCCCc1ccccc1)NCc2cccnc2 11a_100000210453_100011215911 [1,0,1,0,0,0|2,0,0]=4 502 B21R2.257631 O=C(CCCCc1ccccc1)NCc2cccnc2 240690a_100000210453_100011215911 [1,0,1,0,0,0|2,0,0]=4 503 B21R2.257631 O=C(CCCCc1ccccc1)NCc2cccnc2 527a_100000210453_100011215911 [1,0,1,0,0,0|2,0,0]=4 504 B21R2.257631 O=C(CCCCc1ccccc1)NNc2ccccn2 22a_100000183288_100011215911 [1,0,1,0,0,0|1,0,1]=4 505 B21R2.257631 O=C(CCCCc1ccccc1)NNc2cccnc2 22a_100000728903_100011215911 [1,0,1,0,0,0|2,0,0]=4 506 B21R2.257631 O=C(CCCCc1ccncc1)COc2cccnc2 1458a_100015207166_100020630000 [1,0,1,0,0,0|1,0,1]=4 507 B21R2.257631 O=C(CCCOc1ccccc1)COc2cccnc2 1458a_100015207166_100000199009 [1,0,1,0,0,0|1,0,1]=4 508 B21R2.257631 O=C(CCCSc1ccccc1)COc2cccnc2 1458a_100015207166_200011203293 [1,0,1,0,0,0|1,0,1]=4 509 B21R2.257631 O=C(CCOCc1ccccc1)COc2cccnc2 1458a_100015207166_100000234347 [1,0,1,0,0,0|1,0,1]=4 510 B21R2.257631 O=C(CCSCc1ccccc1)COc2cccnc2 1458a_100015207166_200011297719 [1,0,1,0,0,0|1,0,1]=4 511 B21R2.257631 O=C(COc1cccnc1)NCCCc2ccccc2 11a_100000211184_100015207166 [1,0,1,0,0,0|1,0,1]=4 512 B21R2.257631 O=C(COc1cccnc1)NCCCc2ccccc2 1626a_100000211184_100015207166 [1,0,1,0,0,0|1,0,1]=4 513 B21R2.257631 O=C(COc1cccnc1)NCCCc2ccccc2 240690a_100000211184_100015207166 [1,0,1,0,0,0|1,0,1]=4 514 B21R2.257631 O=C(COc1cccnc1)NCCCc2ccccc2 34a_100000210849_100000182878 [1,0,1,0,0,0|1,0,1]=4 515 B21R2.257631 O=C(COc1cccnc1)NCCCc2ccccc2 527a_100000211184_100015207166 [1,0,1,0,0,0|1,0,1]=4 516 B21R2.257631 O=C(COc1cccnc1)NCCCc2ccccc2 7a_100000210849_100000182878 [1,0,1,0,0,0|1,0,1]=4 517 B23R2.179690 CC(CCCc1ccccc1)C(=O)C=Cc2ccccc2O 1458a_100016263591_200010759516 [0,1,1,0,0,0|2,0,0]=4 518 B23R2.182275 Cc1cc(cnc1C=CC(=O)CCCCc2ccccc2)Br 6a_100010185443_200011485782 [0,1,1,0,0,0|2,0,0]=4 519 B23R2.182275 Cc1cc(cnc1C=CC(=O)CCCCc2ccccc2)Cl 6a_200009887756_200011485782 [0,1,1,0,0,0|2,0,0]=4 520 B23R2.182275 Cc1cnc(c(c1)F)C=CC(=O)CCCCc2ccccc2 6a_100009845184_200011485782 [0,1,1,0,0,0|2,0,0]=4 521 B23R2.182275 O=C(C=Cc1ccc(cc1O)I)CCCCc2ccccc2 6a_100000050530_200011485782 [0,1,1,0,0,0|2,0,0]=4 522 B23R2.182275 O=C(C=Cc1ncc(cc1Br)Br)CCCCc2ccccc2 6a_100000688198_200011485782 [0,1,1,0,0,0|2,0,0]=4 523 B23R2.182275 O=C(C=Cc1ncc(cc1Br)Cl)CCCCc2ccccc2 6a_100010064872_200011485782 [0,1,1,0,0,0|2,0,0]=4 524 B23R2.182275 O=C(C=Cc1ncc(cc1Cl)Br)CCCCc2ccccc2 6a_100009814801_200011485782 [0,1,1,0,0,0|2,0,0]=4 525 B23R2.182275 O=C(C=Cc1ncc(cc1Cl)Cl)CCCCc2ccccc2 6a_100011361609_200011485782 [0,1,1,0,0,0|2,0,0]=4 526 B23R2.182275 O=C(C=Cc1ncc(cc1F)Br)CCCCc2ccccc2 6a_100010180630_200011485782 [0,1,1,0,0,0|2,0,0]=4 527 B23R2.182275 O=C(C=Cc1ncc(cc1F)Cl)CCCCc2ccccc2 6a_100009858488_200011485782 [0,1,1,0,0,0|2,0,0]=4 528 B23R2.396938 O=C(C=Cc1cc(ccc1O)I)CCCCc2ccccc2 6a_100011215628_200011485782 [0,1,1,0,0,0|2,0,0]=4 529 B23R2.729163 O=C(C=Cc1ccccc1O)CCCCc2ccc(cc2)Br 1458a_100016263591_200012094861 [0,1,1,0,0,0|2,0,0]=4 530 B23R2.729163 O=C(C=Cc1ccccc1O)CCCCc2ccc(cc2)F 1458a_100016263591_100012093538 [0,1,1,0,0,0|2,0,0]=4 531 B23R2.837150 COc1ccccc1C=CC(=O)CCCCc2ccccc2 1458a_100000182468_100000701786 [0,1,1,0,0,0|2,0,0]=4 532 B23R2.837150 COc1cccnc1NNC(=O)CCCCc2ccccc2 22a_100012020716_100011215911 [0,1,1,0,0,0|1,0,1]=4 533 B23R2.837150 COc1ncccc1C=CC(=O)CCCCc2ccccc2 1458a_100102601226_100000701786 [0,1,1,0,0,0|2,0,0]=4 534 B23R2.26038 C/C(=C\c1ccccn1)/C(=O)CCCCc2ccc(cc2)Br 1458a_100025712827_200012094861 [0,1,1,0,0,0|2,0,0]=4 535 B23R2.26038 C/C(=C\c1ccccn1)/C(=O)CCCCc2ccc(cc2)F 1458a_100025712827_100012093538 [0,1,1,0,0,0|2,0,0]=4 536 B23R2.26038 O=C(CCCCc1ccc(cc1)Br)C(=Cc2cccnc2)F 1458a_100000731744_200012094861 [0,1,1,0,0,0|2,0,0]=4 537 B23R2.26038 O=C(CCCCc1ccc(cc1)F)C(=Cc2cccnc2)F 1458a_100000731744_100012093538 [0,1,1,0,0,0|2,0,0]=4 538 B23R2.477480 C/C(=C\c1ccccn1)/C(=O)C(C)CCCc2ccccc2 1458a_100025712827_200010759516 [0,1,1,0,0,0|2,0,0]=4 539 B23R2.477480 CC(CCCc1ccccc1)C(=O)C(=Cc2cccnc2)F 1458a_100000731744_200010759516 [0,1,1,0,0,0|2,0,0]=4 540 B23R2.730753 O=C(CCCCc1ccccc1)C(=O)Nc2ccc(cn2)Cl 1458a_100011297360_100000701786 [0,1,1,0,0,0|0,0,2]=4 541 B23R3.51009 CC(COCc1nc2ncccc2o1)Cc3ccccc3 7a_100012125295_100000696355 [1,1,0,0,0,0|1,0,1]=4 542 B23R3.51009 OC(CNCc1nc2ncccc2o1)Cc3ccccc3 2230a_100000752270_100000696355 [1,1,0,0,0,0|1,0,1]=4 543 B23R3.51009 O[C@H](CSCc1nc2ncccc2o1)Cc3ccccc3 62a_100000729385_100000696355 [1,1,0,0,0,0|1,0,1]=4 544 B23R3.51075 OC(CCNCc1nc2ncccc2o1)c3ccccc3 2230a_100000763605_100000696355 [1,1,0,0,0,0|1,0,1]=4 545 B23R3.51075 O[C@H](CCSCc1nc2ncccc2o1)c3ccccc3 62a_100000729684_100000696355 [1,1,0,0,0,0|1,0,1]=4 546 B23R3.1338538 Brc1ccc(cc1)CCCNCc2nc3ncccc3o2 2230a_100011297623_100000696355 [1,1,0,0,0,0|1,0,1]=4 547 B23R3.1338538 Brc1ccc(cc1)CCCOCc2nc3ncccc3o2 7a_100011709247_100000696355 [1,1,0,0,0,0|1,0,1]=4 548 B23R3.1338538 Brc1ccc(cc1)CCCSCc2nc3ncccc3o2 62a_100011713682_100000696355 [1,1,0,0,0,0|1,0,1]=4 549 B23R3.1338538 Cc1ccc(cc1)CCCNCc2nc3ncccc3o2 2230a_100011236272_100000696355 [1,1,0,0,0,0|1,0,1]=4 550 B23R3.1338538 Cc1ccc(cc1)CCCOCc2nc3ncccc3o2 7a_100000189427_100000696355 [1,1,0,0,0,0|1,0,1]=4 551 B23R3.1338538 Clc1ccc(cc1)CCCNCc2nc3ncccc3o2 2230a_100000748451_100000696355 [1,1,0,0,0,0|1,0,1]=4 552 B23R3.1338538 Clc1ccc(cc1)CCCOCc2nc3ncccc3o2 7a_100011217485_100000696355 [1,1,0,0,0,0|1,0,1]=4 553 B23R3.1338538 Clc1ccc(cc1)CCCSCc2nc3ncccc3o2 62a_100000759440_100000696355 [1,1,0,0,0,0|1,0,1]=4 554 B23R3.1338538 Fc1ccc(cc1)CCCNCc2nc3ncccc3o2 2230a_100025745824_100000696355 [1,1,0,0,0,0|1,0,1]=4 555 B23R3.1338538 Fc1ccc(cc1)CCCOCc2nc3ncccc3o2 7a_100000757351_100000696355 [1,1,0,0,0,0|1,0,1]=4 556 B23R3.1338538 Fc1ccc(cc1)CCCSCc2nc3ncccc3o2 62a_200011713563_100000696355 [1,1,0,0,0,0|1,0,1]=4 557 B23R3.3559244 CC(CCc1ccccc1)NCc2nc3ncccc3o2 2230a_100000210798_100000696355 [1,1,0,0,0,0|1,0,1]=4 558 B23R3.3559244 C[C@@H](CCc1ccccc1)OCc2nc3ncccc3o2 7a_100009815974_100000696355 [1,1,0,0,0,0|1,0,1]=4 559 B23R3.7932701 Brc1cccc(c1)CCCNCc2nc3ncccc3o2 2230a_100000753791_100000696355 [1,1,0,0,0,0|1,0,1]=4 560 B23R3.7932701 Brc1cccc(c1)CCCOCc2nc3ncccc3o2 7a_100011709248_100000696355 [1,1,0,0,0,0|1,0,1]=4 561 B23R3.7932701 Brc1cccc(c1)CCCSCc2nc3ncccc3o2 62a_100011713683_100000696355 [1,1,0,0,0,0|1,0,1]=4 562 B23R3.7932701 Cc1cccc(c1)CCCNCc2nc3ncccc3o2 2230a_103496528808_100000696355 [1,1,0,0,0,0|1,0,1]=4 563 B23R3.7932701 Clc1cccc(c1)CCCNCc2nc3ncccc3o2 2230a_100000704586_100000696355 [1,1,0,0,0,0|1,0,1]=4 564 B23R3.7932701 Clc1cccc(c1)CCCOCc2nc3ncccc3o2 7a_100011709246_100000696355 [1,1,0,0,0,0|1,0,1]=4 565 B23R3.7932701 Fc1cccc(c1)CCCNCc2nc3ncccc3o2 2230a_100000754185_100000696355 [1,1,0,0,0,0|1,0,1]=4 566 B23R3.7932701 Fc1cccc(c1)CCCSCc2nc3ncccc3o2 62a_200000698031_100000696355 [1,1,0,0,0,0|1,0,1]=4 567 B23R3.7932701 Nc1cccc(c1)CCCOCc2nc3ncccc3o2 7a_200000698965_100000696355 [1,1,0,0,0,0|1,0,1]=4 568 B23R3.8281260 Brc1ccccc1CCCOCc2nc3ncccc3o2 7a_100000699526_100000696355 [1,1,0,0,0,0|1,0,1]=4 569 B23R3.8281260 Brc1ccccc1CCCSCc2nc3ncccc3o2 62a_200011713681_100000696355 [1,1,0,0,0,0|1,0,1]=4 570 B23R3.8281260 Clc1ccccc1CCCOCc2nc3ncccc3o2 7a_100011709251_100000696355 [1,1,0,0,0,0|1,0,1]=4 571 B23R3.8281260 Fc1ccccc1CCCNCc2nc3ncccc3o2 2230a_100000724733_100000696355 [1,1,0,0,0,0|1,0,1]=4 572 B23R3.8281260 Fc1ccccc1CCCOCc2nc3ncccc3o2 7a_100011709249_100000696355 [1,1,0,0,0,0|1,0,1]=4 573 B23R3.19445676 CN(CCCc1ccccc1)Cc2nc3ncccc3o2 2230a_100000693637_100000696355 [1,1,0,0,0,0|1,0,1]=4 574 B23R3.19445676 O=C(CCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100011207963_100000696355 [1,1,0,0,0,0|0,0,2]=4 575 B25R3.46443 O=C(CCCCc1ccccc1)c2ccc3cccnc3c2O 1458a_100000036822_100000701786 [0,1,0,0,0,1|2,0,0]=4 576 B25R3.746335 O=C(CCCCc1ccc(cc1)Br)C2=Cc3ccccc3OC2 1458a_100000018039_200012094861 [0,1,0,0,0,1|2,0,0]=4 577 B25R3.746335 O=C(CCCCc1ccc(cc1)Br)c2ccc3cccnc3c2 1458a_100011933907_200012094861 [0,1,0,0,0,1|2,0,0]=4 578 B25R3.746335 O=C(CCCCc1ccc(cc1)Br)c2ccc3ncccc3c2 1458a_100011216044_200012094861 [0,1,0,0,0,1|2,0,0]=4 579 B25R3.746335 O=C(CCCCc1ccc(cc1)F)C2=Cc3ccccc3OC2 1458a_100000018039_100012093538 [0,1,0,0,0,1|2,0,0]=4 580 B25R3.746335 O=C(CCCCc1ccc(cc1)F)c2ccc3cccnc3c2 1458a_100011933907_100012093538 [0,1,0,0,0,1|2,0,0]=4 581 B25R3.746335 O=C(CCCCc1ccc(cc1)F)c2ccc3ncccc3c2 1458a_100011216044_100012093538 [0,1,0,0,0,1|2,0,0]=4 582 B25R3.13835440 O=C(CCCCc1ccccc1)C2=Cc3cc(ccc3OC2)Br 1458a_100000735388_100000701786 [0,1,0,0,0,1|2,0,0]=4 583 B25R3.13835440 O=C(CCCCc1ccccc1)C2=Cc3cc(ccc3OC2)Cl 1458a_100000020880_100000701786 [0,1,0,0,0,1|2,0,0]=4 584 B25R3.13835440 O=C(CCCCc1ccccc1)c2ccc3ncc(cc3c2)Br 1458a_100010130286_100000701786 [0,1,0,0,0,1|2,0,0]=4 585 B25R3.13846491 Cc1ccc2cc(ccc2n1)C(=O)CCCCc3ccccc3 1458a_100000691375_100000701786 [0,1,0,0,0,1|2,0,0]=4 586 B25R3.13846491 O=C(CCCCc1ccccc1)c2ccc3nc(ccc3c2)Cl 1458a_100000740145_100000701786 [0,1,0,0,0,1|2,0,0]=4 587 B25R3.13846491 O=C(CCCCc1ccccc1)c2ccc3nc(ccc3c2)O 1458a_100015838258_100000701786 [0,1,0,0,0,1|2,0,0]=4 588 B25R3.27371884 O=C(CCCCc1ccccc1)c2ccc3c(ccnc3c2)Cl 1458a_100010240032_100000701786 [0,1,0,0,0,1|2,0,0]=4 589 B25R3.28991960 O=C(CCCCc1ccccc1)c2cc(c3ncccc3c2)O 1458a_200009880037_100000701786 [0,1,0,0,0,1|2,0,0]=4 590 B25R3.32603518 CC(CCCc1ccccc1)C(=O)C2=Cc3ccccc3OC2 1458a_100000018039_200010759516 [0,1,0,0,0,1|2,0,0]=4 591 B25R3.32603518 CC(CCCc1ccccc1)C(=O)c2ccc3cccnc3c2 1458a_100011933907_200010759516 [0,1,0,0,0,1|2,0,0]=4 592 B25R3.32603518 CC(CCCc1ccccc1)C(=O)c2ccc3ncccc3c2 1458a_100011216044_200010759516 [0,1,0,0,0,1|2,0,0]=4 593 B25R3.205270994 O=C(CCCCc1ccccc1)c2ccc3nccc(c3c2)Br 1458a_200010240029_100000701786 [0,1,0,0,0,1|2,0,0]=4 594 B25R3.3011125 Cn1c(nc2c1cccc2)CC(=O)CCCCc3ccccc3 1458a_100011215911_100000748711 [0,1,0,0,0,1|2,0,0]=4 595 B25R3.3975256 CN(CCC(=O)Cc1nc2ccccc2o1)Cc3ccccc3 1458a_100000177486_100000195508 [0,1,0,0,0,1|2,0,0]=4 596 B25R3.3975256 CN(CCC(=O)Cc1nc2ccccc2o1)Cc3ccccc3 1458a_100015185861_100015196923 [0,1,0,0,0,1|2,0,0]=4 597 B25R3.3975256 CN(CCC(=O)Cc1nc2ncccc2o1)Cc3ccccc3 1458a_100000177486_100000696355 [0,1,0,0,0,1|1,0,0]=3 598 B25R3.3975256 O=C(CCC(=O)Nc1ccccc1)Cc2nc3ncccc3o2 1458a_100000180958_100000696355 [0,1,0,0,0,1|1,0,1]=4 599 B25R3.3975256 O=C(CNC(=O)Cc1ccccc1)Cc2nc3ncccc3o2 1458a_100000184600_100000696355 [0,1,0,0,0,1|1,0,1]=4 600 B25R3.13209023 Cc1ccc(cc1)CSCCC(=O)Cc2nc3ccccc3o2 1458a_200000173737_100000195508 [0,1,0,0,0,1|2,0,0]=4 601 B25R3.13209023 Cc1ccc(cc1)CSCCC(=O)Cc2nc3ncccc3o2 1458a_200000173737_100000696355 [0,1,0,0,0,1|1,0,0]=3 602 B25R3.13209023 Cc1ccc(cc1)OCCCC(=O)Cc2nc3ccccc3o2 1458a_100000182836_100000195508 [0,1,0,0,0,1|2,0,0]=4 603 B25R3.13209023 Cc1ccc(cc1)OCCCC(=O)Cc2nc3ncccc3o2 1458a_100000182836_100000696355 [0,1,0,0,0,1|1,0,0]=3 604 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2cc3ccccc3o2 1458a_100000735538_200012094861 [0,1,0,0,0,1|2,0,0]=4 605 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2nc3ccccc3[nH]2 1458a_100000741018_100000737899 [0,1,0,0,0,1|2,0,0]=4 606 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2nc3ccccc3o2 1458a_100000741018_100000195508 [0,1,0,0,0,1|1,0,0]=3 607 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2nc3ccccc3o2 1458a_100015185861_200012094861 [0,1,0,0,0,1|1,0,0]=3 608 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2nc3ccccc3s2 1458a_100000741018_100011217541 [0,1,0,0,0,1|1,1,0]=4 609 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2nc3cccnc3[nH]2 1458a_100000741018_100011549802 [0,1,0,0,0,1|1,0,1]=4 610 B25R3.13209023 O=C(CCCCc1ccc(cc1)Br)Cc2nc3ncccc3o2 1458a_100000741018_100000696355 [0,1,0,0,0,1|0,0,0]=2 611 B25R3.13209023 O=C(CCCCc1ccc(cc1)Cl)Cc2nc3ccccc3[nH]2 1458a_100000684701_100000737899 [0,1,0,0,0,1|2,0,0]=4 612 B25R3.13209023 O=C(CCCCc1ccc(cc1)Cl)Cc2nc3ccccc3o2 1458a_100000684701_100000195508 [0,1,0,0,0,1|1,0,0]=3 613 B25R3.13209023 O=C(CCCCc1ccc(cc1)Cl)Cc2nc3ccccc3s2 1458a_100000684701_100011217541 [0,1,0,0,0,1|1,1,0]=4 614 B25R3.13209023 O=C(CCCCc1ccc(cc1)Cl)Cc2nc3cccnc3[nH]2 1458a_100000684701_100011549802 [0,1,0,0,0,1|1,0,1]=4 615 B25R3.13209023 O=C(CCCCc1ccc(cc1)Cl)Cc2nc3ncccc3o2 1458a_100000684701_100000696355 [0,1,0,0,0,1|0,0,0]=2 616 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2cc3ccccc3o2 1458a_100000735538_100012093538 [0,1,0,0,0,1|2,0,0]=4 617 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2nc3ccccc3[nH]2 1458a_100000703604_100000737899 [0,1,0,0,0,1|2,0,0]=4 618 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2nc3ccccc3o2 1458a_100000703604_100000195508 [0,1,0,0,0,1|1,0,0]=3 619 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2nc3ccccc3o2 1458a_100015185861_100012093538 [0,1,0,0,0,1|1,0,0]=3 620 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2nc3ccccc3s2 1458a_100000703604_100011217541 [0,1,0,0,0,1|1,1,0]=4 621 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2nc3cccnc3[nH]2 1458a_100000703604_100011549802 [0,1,0,0,0,1|1,0,1]=4 622 B25R3.13209023 O=C(CCCCc1ccc(cc1)F)Cc2nc3ncccc3o2 1458a_100000703604_100000696355 [0,1,0,0,0,1|0,0,0]=2 623 B25R3.13209023 O=C(CCCCc1ccc(cc1)I)Cc2nc3ccccc3[nH]2 1458a_100000749853_100000737899 [0,1,0,0,0,1|2,0,0]=4 624 B25R3.13209023 O=C(CCCCc1ccc(cc1)I)Cc2nc3ccccc3o2 1458a_100000749853_100000195508 [0,1,0,0,0,1|1,0,0]=3 625 B25R3.13209023 O=C(CCCCc1ccc(cc1)I)Cc2nc3ccccc3s2 1458a_100000749853_100011217541 [0,1,0,0,0,1|1,1,0]=4 626 B25R3.13209023 O=C(CCCCc1ccc(cc1)I)Cc2nc3cccnc3[nH]2 1458a_100000749853_100011549802 [0,1,0,0,0,1|1,0,1]=4 627 B25R3.13209023 O=C(CCCCc1ccc(cc1)I)Cc2nc3ncccc3o2 1458a_100000749853_100000696355 [0,1,0,0,0,1|0,0,0]=2 628 B25R3.13209023 O=C(CCCCc1ccc(cc1)O)Cc2nc3ccccc3[nH]2 1458a_100000047048_100000737899 [0,1,0,0,0,1|2,0,0]=4 629 B25R3.13209023 O=C(CCCCc1ccc(cc1)O)Cc2nc3ccccc3o2 1458a_100000047048_100000195508 [0,1,0,0,0,1|1,0,0]=3 630 B25R3.13209023 O=C(CCCCc1ccc(cc1)O)Cc2nc3ccccc3s2 1458a_100000047048_100011217541 [0,1,0,0,0,1|1,1,0]=4 631 B25R3.13209023 O=C(CCCCc1ccc(cc1)O)Cc2nc3cccnc3[nH]2 1458a_100000047048_100011549802 [0,1,0,0,0,1|1,0,1]=4 632 B25R3.13209023 O=C(CCCCc1ccc(cc1)O)Cc2nc3ncccc3o2 1458a_100000047048_100000696355 [0,1,0,0,0,1|0,0,0]=2 633 B25R3.13209023 O=C(CCCOc1ccc(cc1)Br)Cc2nc3ccccc3o2 1458a_100000183208_100000195508 [0,1,0,0,0,1|2,0,0]=4 634 B25R3.13209023 O=C(CCCOc1ccc(cc1)Br)Cc2nc3ccccc3o2 1458a_100015185861_100011259224 [0,1,0,0,0,1|2,0,0]=4 635 B25R3.13209023 O=C(CCCOc1ccc(cc1)Br)Cc2nc3ncccc3o2 1458a_100000183208_100000696355 [0,1,0,0,0,1|1,0,0]=3 636 B25R3.13209023 O=C(CCCOc1ccc(cc1)Cl)Cc2nc3ccccc3o2 1458a_100000741531_100000195508 [0,1,0,0,0,1|2,0,0]=4 637 B25R3.13209023 O=C(CCCOc1ccc(cc1)Cl)Cc2nc3ncccc3o2 1458a_100000741531_100000696355 [0,1,0,0,0,1|1,0,0]=3 638 B25R3.13209023 O=C(CCCOc1ccc(cc1)F)Cc2nc3ccccc3o2 1458a_100000735736_100000195508 [0,1,0,0,0,1|2,0,0]=4 639 B25R3.13209023 O=C(CCCOc1ccc(cc1)F)Cc2nc3ccccc3o2 1458a_100015185861_100000181347 [0,1,0,0,0,1|2,0,0]=4 640 B25R3.13209023 O=C(CCCOc1ccc(cc1)F)Cc2nc3ncccc3o2 1458a_100000735736_100000696355 [0,1,0,0,0,1|1,0,0]=3 641 B25R3.13209023 O=C(CCCOc1ccc(cc1)I)Cc2nc3ccccc3o2 1458a_100000744034_100000195508 [0,1,0,0,0,1|2,0,0]=4 642 B25R3.13209023 O=C(CCCOc1ccc(cc1)I)Cc2nc3ncccc3o2 1458a_100000744034_100000696355 [0,1,0,0,0,1|1,0,0]=3 643 B25R3.13209023 O=C(CCCSc1ccc(cc1)Br)Cc2nc3ccccc3o2 1458a_100000753536_100000195508 [0,1,0,0,0,1|2,0,0]=4 644 B25R3.13209023 O=C(CCCSc1ccc(cc1)Br)Cc2nc3ncccc3o2 1458a_100000753536_100000696355 [0,1,0,0,0,1|1,0,0]=3 645 B25R3.13209023 O=C(CCCSc1ccc(cc1)Cl)Cc2nc3ccccc3o2 1458a_100000182790_100000195508 [0,1,0,0,0,1|2,0,0]=4 646 B25R3.13209023 O=C(CCCSc1ccc(cc1)Cl)Cc2nc3ncccc3o2 1458a_100000182790_100000696355 [0,1,0,0,0,1|1,0,0]=3 647 B25R3.13752205 Cc1cccc(c1)OCCCC(=O)Cc2nc3ccccc3o2 1458a_100000183260_100000195508 [0,1,0,0,0,1|2,0,0]=4 648 B25R3.13752205 Cc1cccc(c1)OCCCC(=O)Cc2nc3ccccc3o2 1458a_100015185861_100000212303 [0,1,0,0,0,1|2,0,0]=4 649 B25R3.13752205 Cc1cccc(c1)OCCCC(=O)Cc2nc3ncccc3o2 1458a_100000183260_100000696355 [0,1,0,0,0,1|1,0,0]=3 650 B25R3.13752205 O=C(CCCCc1cccc(c1)Br)Cc2nc3ccccc3[nH]2 1458a_200010160685_100000737899 [0,1,0,0,0,1|2,0,0]=4 651 B25R3.13752205 O=C(CCCCc1cccc(c1)Br)Cc2nc3ccccc3o2 1458a_200010160685_100000195508 [0,1,0,0,0,1|1,0,0]=3 652 B25R3.13752205 O=C(CCCCc1cccc(c1)Br)Cc2nc3ccccc3s2 1458a_200010160685_100011217541 [0,1,0,0,0,1|1,1,0]=4 653 B25R3.13752205 O=C(CCCCc1cccc(c1)Br)Cc2nc3cccnc3[nH]2 1458a_200010160685_100011549802 [0,1,0,0,0,1|1,0,1]=4 654 B25R3.13752205 O=C(CCCCc1cccc(c1)Br)Cc2nc3ncccc3o2 1458a_200010160685_100000696355 [0,1,0,0,0,1|0,0,0]=2 655 B25R3.13752205 O=C(CCCOc1cccc(c1)Cl)Cc2nc3ccccc3o2 1458a_100015185861_100000742658 [0,1,0,0,0,1|2,0,0]=4 656 B25R3.13752205 O=C(CCCOc1cccc(c1)O)Cc2nc3ccccc3o2 1458a_200009913207_100000195508 [0,1,0,0,0,1|2,0,0]=4 657 B25R3.13752205 O=C(CCCOc1cccc(c1)O)Cc2nc3ncccc3o2 1458a_200009913207_100000696355 [0,1,0,0,0,1|1,0,0]=3 658 B25R3.13932255 Cc1ccc2nc([nH]c2c1)CC(=O)CCCCc3ccccc3 1458a_100011215911_100020603265 [0,1,0,0,0,1|2,0,0]=4 659 B25R3.13932255 Cc1ccc2nc(oc2c1)CC(=O)CCCCc3ccccc3 1458a_100011215911_100011295139 [0,1,0,0,0,1|1,0,0]=3 660 B25R3.13932255 Cc1ccc2nc(oc2c1)CC(=O)CCCOc3ccccc3 1458a_100000212059_100011295139 [0,1,0,0,0,1|2,0,0]=4 661 B25R3.13932255 Cc1ccc2nc(oc2c1)CC(=O)CCCSc3ccccc3 1458a_100000182835_100011295139 [0,1,0,0,0,1|2,0,0]=4 662 B25R3.13932255 Cc1ccc2nc(oc2c1)CC(=O)CCOCc3ccccc3 1458a_100000743319_100011295139 [0,1,0,0,0,1|2,0,0]=4 663 B25R3.13932255 Cc1ccc2nc(oc2c1)CC(=O)CCSCc3ccccc3 1458a_100000173759_100011295139 [0,1,0,0,0,1|2,0,0]=4 664 B25R3.13932255 Cc1ccc2oc(nc2c1)CC(=O)CCCCc3ccccc3 1458a_100011215911_100011374149 [0,1,0,0,0,1|1,0,0]=3 665 B25R3.13932255 Cc1ccc2oc(nc2c1)CC(=O)CCCOc3ccccc3 1458a_100000212059_100011374149 [0,1,0,0,0,1|2,0,0]=4 666 B25R3.13932255 Cc1ccc2oc(nc2c1)CC(=O)CCCSc3ccccc3 1458a_100000182835_100011374149 [0,1,0,0,0,1|2,0,0]=4 667 B25R3.13932255 Cc1ccc2oc(nc2c1)CC(=O)CCOCc3ccccc3 1458a_100000743319_100011374149 [0,1,0,0,0,1|2,0,0]=4 668 B25R3.13932255 Cc1ccc2oc(nc2c1)CC(=O)CCSCc3ccccc3 1458a_100000173759_100011374149 [0,1,0,0,0,1|2,0,0]=4 669 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3cc(ccc3[nH]2)Br 1458a_100011215911_100000701424 [0,1,0,0,0,1|2,0,0]=4 670 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3cc(ccc3[nH]2)Cl 1458a_100011215911_100000179801 [0,1,0,0,0,1|2,0,0]=4 671 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3cc(ccc3o2)Br 1458a_100011215911_100000730559 [0,1,0,0,0,1|1,0,0]=3 672 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3cc(ccc3o2)Cl 1458a_100011215911_100011222916 [0,1,0,0,0,1|1,0,0]=3 673 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3cc(ccc3o2)F 1458a_100011215911_100000687093 [0,1,0,0,0,1|1,0,0]=3 674 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3ccc(cc3[nH]2)F 1458a_100011215911_200011347187 [0,1,0,0,0,1|2,0,0]=4 675 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3ccc(cc3o2)Br 1458a_100011215911_100000729449 [0,1,0,0,0,1|1,0,0]=3 676 B25R3.13932255 O=C(CCCCc1ccccc1)Cc2nc3ccc(cc3o2)F 1458a_100011215911_100000687025 [0,1,0,0,0,1|1,0,0]=3 677 B25R3.13932255 O=C(CCCOc1ccccc1)Cc2nc3cc(ccc3o2)Br 1458a_100000212059_100000730559 [0,1,0,0,0,1|2,0,0]=4 678 B25R3.13932255 O=C(CCCOc1ccccc1)Cc2nc3cc(ccc3o2)Cl 1458a_100000212059_100011222916 [0,1,0,0,0,1|2,0,0]=4 679 B25R3.13932255 O=C(CCCOc1ccccc1)Cc2nc3cc(ccc3o2)F 1458a_100000212059_100000687093 [0,1,0,0,0,1|2,0,0]=4 680 B25R3.13932255 O=C(CCCOc1ccccc1)Cc2nc3ccc(cc3o2)Br 1458a_100000212059_100000729449 [0,1,0,0,0,1|2,0,0]=4 681 B25R3.13932255 O=C(CCCOc1ccccc1)Cc2nc3ccc(cc3o2)F 1458a_100000212059_100000687025 [0,1,0,0,0,1|2,0,0]=4 682 B25R3.13932255 O=C(CCCSc1ccccc1)Cc2nc3cc(ccc3o2)Br 1458a_100000182835_100000730559 [0,1,0,0,0,1|2,0,0]=4 683 B25R3.13932255 O=C(CCCSc1ccccc1)Cc2nc3cc(ccc3o2)Cl 1458a_100000182835_100011222916 [0,1,0,0,0,1|2,0,0]=4 684 B25R3.13932255 O=C(CCCSc1ccccc1)Cc2nc3cc(ccc3o2)F 1458a_100000182835_100000687093 [0,1,0,0,0,1|2,0,0]=4 685 B25R3.13932255 O=C(CCCSc1ccccc1)Cc2nc3ccc(cc3o2)Br 1458a_100000182835_100000729449 [0,1,0,0,0,1|2,0,0]=4 686 B25R3.13932255 O=C(CCCSc1ccccc1)Cc2nc3ccc(cc3o2)F 1458a_100000182835_100000687025 [0,1,0,0,0,1|2,0,0]=4 687 B25R3.13932255 O=C(CCOCc1ccccc1)Cc2nc3cc(ccc3o2)Br 1458a_100000743319_100000730559 [0,1,0,0,0,1|2,0,0]=4 688 B25R3.13932255 O=C(CCOCc1ccccc1)Cc2nc3cc(ccc3o2)Cl 1458a_100000743319_100011222916 [0,1,0,0,0,1|2,0,0]=4 689 B25R3.13932255 O=C(CCOCc1ccccc1)Cc2nc3cc(ccc3o2)F 1458a_100000743319_100000687093 [0,1,0,0,0,1|2,0,0]=4 690 B25R3.13932255 O=C(CCOCc1ccccc1)Cc2nc3ccc(cc3o2)Br 1458a_100000743319_100000729449 [0,1,0,0,0,1|2,0,0]=4 691 B25R3.13932255 O=C(CCOCc1ccccc1)Cc2nc3ccc(cc3o2)F 1458a_100000743319_100000687025 [0,1,0,0,0,1|2,0,0]=4 692 B25R3.13932255 O=C(CCSCc1ccccc1)Cc2nc3cc(ccc3o2)Br 1458a_100000173759_100000730559 [0,1,0,0,0,1|2,0,0]=4 693 B25R3.13932255 O=C(CCSCc1ccccc1)Cc2nc3cc(ccc3o2)Cl 1458a_100000173759_100011222916 [0,1,0,0,0,1|2,0,0]=4 694 B25R3.13932255 O=C(CCSCc1ccccc1)Cc2nc3cc(ccc3o2)F 1458a_100000173759_100000687093 [0,1,0,0,0,1|2,0,0]=4 695 B25R3.13932255 O=C(CCSCc1ccccc1)Cc2nc3ccc(cc3o2)Br 1458a_100000173759_100000729449 [0,1,0,0,0,1|2,0,0]=4 696 B25R3.13932255 O=C(CCSCc1ccccc1)Cc2nc3ccc(cc3o2)F 1458a_100000173759_100000687025 [0,1,0,0,0,1|2,0,0]=4 697 B25R3.18086076 Cc1ccccc1OCCCC(=O)Cc2nc3ccccc3o2 1458a_100000735866_100000195508 [0,1,0,0,0,1|2,0,0]=4 698 B25R3.18086076 Cc1ccccc1OCCCC(=O)Cc2nc3ccccc3o2 1458a_100015185861_100000742659 [0,1,0,0,0,1|2,0,0]=4 699 B25R3.18086076 Cc1ccccc1OCCCC(=O)Cc2nc3ncccc3o2 1458a_100000735866_100000696355 [0,1,0,0,0,1|1,0,0]=3 700 B25R3.18086076 O=C(CCCOc1ccccc1Br)Cc2nc3ccccc3o2 1458a_100015185861_200011259276 [0,1,0,0,0,1|2,0,0]=4 701 B25R3.18086076 O=C(CCCOc1ccccc1Cl)Cc2nc3ccccc3o2 1458a_100000747900_100000195508 [0,1,0,0,0,1|2,0,0]=4 702 B25R3.18086076 O=C(CCCOc1ccccc1Cl)Cc2nc3ncccc3o2 1458a_100000747900_100000696355 [0,1,0,0,0,1|1,0,0]=3 703 B25R3.18086076 O=C(CCCOc1ccccc1F)Cc2nc3ccccc3o2 1458a_100015185861_100011203253 [0,1,0,0,0,1|2,0,0]=4 704 B25R3.18086076 O=C(CCCSc1ccccc1Cl)Cc2nc3ccccc3o2 1458a_100015185861_100000750589 [0,1,0,0,0,1|2,0,0]=4 705 B25R3.27393875 Cc1cccc2c1nc(o2)CC(=O)CCCCc3ccccc3 1458a_100011215911_100011397728 [0,1,0,0,0,1|1,0,0]=3 706 B25R3.27393875 Cc1cccc2c1nc(o2)CC(=O)CCCOc3ccccc3 1458a_100000212059_100011397728 [0,1,0,0,0,1|2,0,0]=4 707 B25R3.27393875 Cc1cccc2c1nc(o2)CC(=O)CCCSc3ccccc3 1458a_100000182835_100011397728 [0,1,0,0,0,1|2,0,0]=4 708 B25R3.27393875 Cc1cccc2c1nc(o2)CC(=O)CCOCc3ccccc3 1458a_100000743319_100011397728 [0,1,0,0,0,1|2,0,0]=4 709 B25R3.27393875 Cc1cccc2c1nc(o2)CC(=O)CCSCc3ccccc3 1458a_100000173759_100011397728 [0,1,0,0,0,1|2,0,0]=4 710 B25R3.27393875 Cc1ccnc2c1nc([nH]2)CC(=O)CCCCc3ccccc3 1458a_100011215911_200000699823 [0,1,0,0,0,1|1,0,1]=4 711 B25R3.32631310 C=C(CCCC(=O)Cc1nc2ccccc2o1)c3ccccc3 1458a_200009911520_100000195508 [0,1,0,0,0,1|1,0,1]=4 712 B25R3.32631310 C=C(CCCC(=O)Cc1nc2ncccc2o1)c3ccccc3 1458a_200009911520_100000696355 [0,1,0,0,0,1|0,0,1]=3 713 B25R3.32631310 O=C(CCCC(=O)c1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100000211006 [0,1,0,0,0,1|1,0,1]=4 714 B25R3.32631310 O=C(CCNC(=O)c1ccccc1)Cc2nc3ncccc3o2 1458a_100000182757_100000696355 [0,1,0,0,0,1|1,0,1]=4 715 B25R3.59849033 O=C(CC(=O)OCc1ccccc1)Cc2nc3ncccc3o2 1458a_100000037839_100000696355 [0,1,0,0,0,1|1,0,1]=4 716 B25R3.59849033 O=C(CCc1ccccc1)CC(=O)Cc2nc3ccccc3o2 1458a_100015185861_100012361361 [0,1,0,0,0,1|1,0,1]=4 717 B25R3.233068002 CC(CCCc1ccccc1)C(=O)Cc2cc3ccccc3o2 1458a_100000735538_200010759516 [0,1,0,0,0,1|2,0,0]=4 718 B25R3.233068002 CC(CCCc1ccccc1)C(=O)Cc2nc3ccccc3o2 1458a_100015185861_200010759516 [0,1,0,0,0,1|1,0,0]=3 719 B25R3.3010083 Cc1c(oc2c1cccc2)C(=O)CNCCCc3ccccc3 2230a_100000211184_100000684729 [0,1,0,0,0,1|2,0,0]=4 720 B25R3.3010083 Cc1c(oc2c1cccc2)C(=O)CSCCCc3ccccc3 62a_100000211621_100000684729 [0,1,0,0,0,1|2,0,0]=4 721 B25R3.3978643 O=C(CNCC(O)Cc1ccccc1)c2nc3ccccc3s2 2230a_100000752270_100000198972 [0,1,0,0,0,1|1,1,0]=4 722 B25R3.3978643 O=C(CSC[C@@H](O)Cc1ccccc1)c2cc3ccccc3o2 62a_100000729385_100000209828 [0,1,0,0,0,1|2,0,0]=4 723 B25R3.3978643 O=C(CSC[C@@H](O)Cc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000729385 [0,1,0,0,0,1|1,1,0]=4 724 B25R3.3979873 O=C(CNCCC(O)c1ccccc1)c2nc3ccccc3s2 2230a_100000763605_100000198972 [0,1,0,0,0,1|1,1,0]=4 725 B25R3.3979873 O=C(CSCC[C@@H](O)c1ccccc1)c2cc3ccccc3o2 62a_100000729684_100000209828 [0,1,0,0,0,1|2,0,0]=4 726 B25R3.3979873 O=C(CSCC[C@@H](O)c1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000729684 [0,1,0,0,0,1|1,1,0]=4 727 B25R3.13749253 Cc1cccc(c1)CCCNCC(=O)c2nc3ccccc3s2 2230a_103496528808_100000198972 [0,1,0,0,0,1|1,1,0]=4 728 B25R3.13749253 O=C(CNCCCc1cccc(c1)Br)c2nc3ccccc3s2 2230a_100000753791_100000198972 [0,1,0,0,0,1|1,1,0]=4 729 B25R3.13749253 O=C(CNCCCc1cccc(c1)Cl)c2nc3ccccc3s2 2230a_100000704586_100000198972 [0,1,0,0,0,1|1,1,0]=4 730 B25R3.13749253 O=C(CNCCCc1cccc(c1)F)c2nc3ccccc3s2 2230a_100000754185_100000198972 [0,1,0,0,0,1|1,1,0]=4 731 B25R3.13749253 O=C(CSCCCc1cccc(c1)Br)c2cc3ccccc3o2 62a_100011713683_100000209828 [0,1,0,0,0,1|2,0,0]=4 732 B25R3.13749253 O=C(CSCCCc1cccc(c1)Br)c2nc3ccccc3s2 62a_100000198972_100011713683 [0,1,0,0,0,1|1,1,0]=4 733 B25R3.13749253 O=C(CSCCCc1cccc(c1)F)c2cc3ccccc3o2 62a_200000698031_100000209828 [0,1,0,0,0,1|2,0,0]=4 734 B25R3.13749253 O=C(CSCCCc1cccc(c1)F)c2nc3ccccc3s2 62a_100000198972_200000698031 [0,1,0,0,0,1|1,1,0]=4 735 B25R3.13931682 O=C(CNCCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100000211184_100010170448 [0,1,0,0,0,1|2,0,0]=4 736 B25R3.13931682 O=C(COCCCc1ccccc1)c2cc3cc(ccc3o2)Br 34a_100000210828_100010170448 [0,1,0,0,0,1|2,0,0]=4 737 B25R3.13931682 O=C(CSCCCc1ccccc1)c2cc3cc(ccc3o2)Br 62a_100000211621_100010170448 [0,1,0,0,0,1|2,0,0]=4 738 B25R3.14370400 O=C(CNCCCc1ccccc1F)c2nc3ccccc3s2 2230a_100000724733_100000198972 [0,1,0,0,0,1|1,1,0]=4 739 B25R3.14370400 O=C(CSCCCc1ccccc1Br)c2cc3ccccc3o2 62a_200011713681_100000209828 [0,1,0,0,0,1|2,0,0]=4 740 B25R3.14370400 O=C(CSCCCc1ccccc1Br)c2nc3ccccc3s2 62a_100000198972_200011713681 [0,1,0,0,0,1|1,1,0]=4 741 B25R3.42914746 Cc1ccc(cc1)CCCNCC(=O)c2nc3ccccc3s2 2230a_100011236272_100000198972 [0,1,0,0,0,1|1,1,0]=4 742 B25R3.42914746 O=C(CNCCCc1ccc(cc1)Br)c2nc3ccccc3s2 2230a_100011297623_100000198972 [0,1,0,0,0,1|1,1,0]=4 743 B25R3.42914746 O=C(CNCCCc1ccc(cc1)Cl)c2nc3ccccc3s2 2230a_100000748451_100000198972 [0,1,0,0,0,1|1,1,0]=4 744 B25R3.42914746 O=C(CNCCCc1ccc(cc1)F)c2nc3ccccc3s2 2230a_100025745824_100000198972 [0,1,0,0,0,1|1,1,0]=4 745 B25R3.42914746 O=C(CSCCCc1ccc(cc1)Br)c2cc3ccccc3o2 62a_100011713682_100000209828 [0,1,0,0,0,1|2,0,0]=4 746 B25R3.42914746 O=C(CSCCCc1ccc(cc1)Br)c2nc3ccccc3s2 62a_100000198972_100011713682 [0,1,0,0,0,1|1,1,0]=4 747 B25R3.42914746 O=C(CSCCCc1ccc(cc1)Cl)c2cc3ccccc3o2 62a_100000759440_100000209828 [0,1,0,0,0,1|2,0,0]=4 748 B25R3.42914746 O=C(CSCCCc1ccc(cc1)Cl)c2nc3ccccc3s2 62a_100000198972_100000759440 [0,1,0,0,0,1|1,1,0]=4 749 B25R3.42914746 O=C(CSCCCc1ccc(cc1)F)c2cc3ccccc3o2 62a_200011713563_100000209828 [0,1,0,0,0,1|2,0,0]=4 750 B25R3.42914746 O=C(CSCCCc1ccc(cc1)F)c2nc3ccccc3s2 62a_100000198972_200011713563 [0,1,0,0,0,1|1,1,0]=4 751 B25R3.59864425 CC(CCc1ccccc1)NCC(=O)c2nc3ccccc3s2 2230a_100000210798_100000198972 [0,1,0,0,0,1|1,1,0]=4 752 B25R3.233068840 CN(CCCc1ccccc1)CC(=O)c2cc3ccccc3o2 269982a_100000693637_100000209828 [0,1,0,0,0,1|2,0,0]=4 753 B25R3.233068840 CN(CCCc1ccccc1)CC(=O)c2nc3ccccc3s2 2230a_100000693637_100000198972 [0,1,0,0,0,1|1,1,0]=4 754 B25R3.233068840 CN(CCCc1ccccc1)CC(=O)c2nc3ccccc3s2 269982a_100000693637_100000198972 [0,1,0,0,0,1|1,1,0]=4 755 B25R3.233068840 O=C(CCCc1ccccc1)CC(=O)c2cc3ccccc3o2 1458a_100011207963_100000209828 [0,1,0,0,0,1|2,0,0]=4 756 B23R4.1518864 c1ccc(cc1)C2CCN2Cc3nc4ncccc4o3 2230a_100000739605_100000696355 [1,0,0,1,0,0|1,0,1]=4 757 B23R4.1519690 c1ccc(cc1)[C@H]2C[C@@H]2NCc3nc4ncccc4o3 2230a_100020588832_100000696355 [1,0,0,1,0,0|1,0,1]=4 758 B23R4.1520403 c1ccc(cc1)C[C@H]2CN2Cc3nc4ncccc4o3 2230a_100016998360_100000696355 [1,0,0,1,0,0|1,0,1]=4 759 B23R4.1529940 c1ccc2c(c1)CC2COCc3nc4ncccc4o3 7a_100012476685_100000696355 [1,0,0,1,0,0|1,0,1]=4 760 B23R4.1541696 c1ccc2c(c1)CCC2OCc3nc4ncccc4o3 7a_100000212247_100000696355 [1,0,0,1,0,0|1,0,1]=4 761 B23R4.1541696 c1ccc2c(c1)CC[C@@H]2NCc3nc4ncccc4o3 2230a_100016989578_100000696355 [1,0,0,1,0,0|1,0,1]=4 762 B25R4.9270 c1ccc(cc1)C2CCCN(C2)Cc3nc4ncccc4o3 2230a_100011236195_100000696355 [0,0,0,1,0,1|2,0,0]=4 763 B25R4.1704826 O=C(Cc1nc2ccccc2[nH]1)CC3CCc4c3cccc4 1458a_100000756587_100000737899 [0,0,0,1,0,1|2,0,0]=4 764 B25R4.1704826 O=C(Cc1nc2ccccc2o1)CC3CCc4c3cccc4 1458a_100000756587_100000195508 [0,0,0,1,0,1|1,0,0]=3 765 B25R4.1704826 O=C(Cc1nc2ccccc2o1)CN3CCc4c3cccc4 1458a_100000742689_100000195508 [0,0,0,1,0,1|2,0,0]=4 766 B25R4.1704826 O=C(Cc1nc2ccccc2s1)CC3CCc4c3cccc4 1458a_100000756587_100011217541 [0,0,0,1,0,1|1,1,0]=4 767 B25R4.1704826 O=C(Cc1nc2cccnc2[nH]1)CC3CCc4c3cccc4 1458a_100000756587_100011549802 [0,0,0,1,0,1|1,0,1]=4 768 B25R4.1704826 O=C(Cc1nc2ncccc2o1)CC3CCc4c3cccc4 1458a_100000756587_100000696355 [0,0,0,1,0,1|0,0,0]=2 769 B25R4.1704826 O=C(Cc1nc2ncccc2o1)CN3CCc4c3cccc4 1458a_100000742689_100000696355 [0,0,0,1,0,1|1,0,0]=3 770 B25R4.4917548 CN(Cc1nc2ncccc2o1)C3CCCc4c3cccc4 2230a_100000185324_100000696355 [0,0,0,1,0,1|2,0,0]=4 771 B25R4.4917548 O=C(Cc1nc2ccccc2[nH]1)C3CCCc4c3cccc4 1458a_100011198263_100000737899 [0,0,0,1,0,1|2,0,0]=4 772 B25R4.4917548 O=C(Cc1nc2ccccc2o1)C3CCCc4c3cccc4 1458a_100011198263_100000195508 [0,0,0,1,0,1|1,0,0]=3 773 B25R4.4917548 O=C(Cc1nc2ccccc2o1)C3OCCc4c3cccc4 1458a_100000026751_100000195508 [0,0,0,1,0,1|2,0,0]=4 774 B25R4.4917548 O=C(Cc1nc2ccccc2s1)C3CCCc4c3cccc4 1458a_100011198263_100011217541 [0,0,0,1,0,1|1,1,0]=4 775 B25R4.4917548 O=C(Cc1nc2cccnc2[nH]1)C3CCCc4c3cccc4 1458a_100011198263_100011549802 [0,0,0,1,0,1|1,0,1]=4 776 B25R4.4917548 O=C(Cc1nc2ncccc2o1)C3CCCc4c3cccc4 1458a_100011198263_100000696355 [0,0,0,1,0,1|0,0,0]=2 777 B25R4.4917548 O=C(Cc1nc2ncccc2o1)C3OCCc4c3cccc4 1458a_100000026751_100000696355 [0,0,0,1,0,1|1,0,0]=3 778 B25R4.131365 O=C(CN[C@H]1CCc2c1cccc2)c3nc4ccccc4s3 2230a_100016989578_100000198972 [0,0,0,1,0,1|1,1,0]=4 779 B25R4.131365 O=C(CSC1CCc2c1cccc2)c3nc4ccccc4s3 62a_100000198972_200000721974 [0,0,0,1,0,1|1,1,0]=4 780 B25R4.54365561 O=C(CN1C[C@@H]1Cc2ccccc2)c3cc4ccccc4o3 269982a_100016998360_100000209828 [0,0,0,1,0,1|2,0,0]=4 781 B25R4.54365561 O=C(CN1C[C@@H]1Cc2ccccc2)c3nc4ccccc4s3 2230a_100016998360_100000198972 [0,0,0,1,0,1|1,1,0]=4 782 B25R4.54365561 O=C(CN1C[C@@H]1Cc2ccccc2)c3nc4ccccc4s3 269982a_100016998360_100000198972 [0,0,0,1,0,1|1,1,0]=4 783 B25R4.54379136 O=C(CN[C@H]1C[C@@H]1c2ccccc2)c3nc4ccccc4s3 2230a_100020588832_100000198972 [0,0,0,1,0,1|1,1,0]=4 784 B25R4.54455636 O=C(CN1CCC1c2ccccc2)c3cc4ccccc4o3 269982a_100000739605_100000209828 [0,0,0,1,0,1|2,0,0]=4 785 B25R4.54455636 O=C(CN1CCC1c2ccccc2)c3nc4ccccc4s3 2230a_100000739605_100000198972 [0,0,0,1,0,1|1,1,0]=4 786 B25R4.54455636 O=C(CN1CCC1c2ccccc2)c3nc4ccccc4s3 269982a_100000739605_100000198972 [0,0,0,1,0,1|1,1,0]=4 787 B21R2.4848 O=C(C=Cc1ccccc1O)CCCc2ccccc2 1458a_100016263591_100000211621 [0,0,1,0,1,0|2,0,0]=4 788 B21R2.142835 Cc1cccnc1CC(=O)CCCCc2ccccc2 1458a_100011215911_100000696600 [0,0,1,0,1,0|1,0,1]=4 789 B21R2.142835 Cc1cccnc1CC(=O)CCCCc2ccccc2 1458a_200000722269_100000701786 [0,0,1,0,1,0|1,0,1]=4 790 B21R2.142835 Cc1ncccc1CC(=O)CCCCc2ccccc2 1458a_100011215911_100000732876 [0,0,1,0,1,0|1,0,1]=4 791 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ccccc2O 1458a_100000743006_100000701786 [0,0,1,0,1,0|1,0,1]=4 792 B21R2.142835 O=C(CCCCc1ccccc1)Cc2cccnc2Br 1458a_100011215911_100010140945 [0,0,1,0,1,0|1,0,1]=4 793 B21R2.142835 O=C(CCCCc1ccccc1)Cc2cccnc2Cl 1458a_100000093521_100000701786 [0,0,1,0,1,0|1,0,1]=4 794 B21R2.142835 O=C(CCCCc1ccccc1)Cc2cccnc2Cl 1458a_100011215911_100000045678 [0,0,1,0,1,0|1,0,1]=4 795 B21R2.142835 O=C(CCCCc1ccccc1)Cc2cccnc2F 1458a_100011215911_100000099810 [0,0,1,0,1,0|1,0,1]=4 796 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ncccc2Br 1458a_100011215911_100025702911 [0,0,1,0,1,0|1,0,1]=4 797 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ncccc2Br 1458a_200012357574_100000701786 [0,0,1,0,1,0|1,0,1]=4 798 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ncccc2Cl 1458a_100011215911_100000099807 [0,0,1,0,1,0|1,0,1]=4 799 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ncccc2Cl 1458a_100011998755_100000701786 [0,0,1,0,1,0|1,0,1]=4 800 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ncccc2F 1458a_100011215911_100000104219 [0,0,1,0,1,0|1,0,1]=4 801 B21R2.142835 O=C(CCCCc1ccccc1)Cc2ncccc2O 1458a_100011215911_200020655725 [0,0,1,0,1,0|0,0,1]=3 802 B21R2.142835 O=C(CCCCc1ccccc1)Nc2ccccc2O 22a_100000185747_100011215911 [0,0,1,0,1,0|1,0,1]=4 803 B21R2.142835 O=C(CCCCc1ccccc1)Nc2ccccc2O 527a_100000185747_100011215911 [0,0,1,0,1,0|1,0,1]=4 804 B21R2.142835 O=C(CCCOc1ccccc1)Cc2ncccc2O 1458a_100000212059_200020655725 [0,0,1,0,1,0|1,0,1]=4 805 B21R2.142835 O=C(CCCSc1ccccc1)Cc2ncccc2O 1458a_100000182835_200020655725 [0,0,1,0,1,0|1,0,1]=4 806 B21R2.142835 O=C(CCOCc1ccccc1)Cc2ncccc2O 1458a_100000743319_200020655725 [0,0,1,0,1,0|1,0,1]=4 807 B21R2.142835 O=C(CCSCc1ccccc1)Cc2ncccc2O 1458a_100000173759_200020655725 [0,0,1,0,1,0|1,0,1]=4 808 B21R2.257627 C=C(C(=O)CCCCc1ccccc1)c2ccccc2 1458a_100000065200_100000701786 [0,0,1,0,1,0|2,0,0]=4 809 B21R2.257627 CC(C(=O)CCCCc1ccccc1)c2ccccn2 1458a_100000722050_100000701786 [0,0,1,0,1,0|1,0,1]=4 810 B21R2.257627 O=C(CCCCc1ccccc1)[C@H](O)c2ccccc2 1458a_100000684486_100000701786 [0,0,1,0,1,0|1,0,1]=4 811 B21R2.257667 C/C(=C\c1ccccn1)/C(=O)CCCc2ccccc2 1458a_100025712827_100000211621 [0,0,1,0,1,0|2,0,0]=4 812 B21R2.257667 O=C(CCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100000211621 [0,0,1,0,1,0|2,0,0]=4 813 B21R3.2429969 c1ccc(cc1)CCNCc2cc3ncccc3o2 207a_100000106460_100000104172 [1,0,0,0,1,0|2,0,0]=4 814 B21R3.2429969 c1ccc(cc1)CCNCc2cc3ncccc3o2 270004a_100000106460_100000104172 [1,0,0,0,1,0|2,0,0]=4 815 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3o2 2230a_100000106460_100000195508 [1,0,0,0,1,0|2,0,0]=4 816 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3o2 34a_100000106460_200012361514 [1,0,0,0,1,0|2,0,0]=4 817 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ncccc3o2 2230a_100000106460_100000696355 [1,0,0,0,1,0|1,0,0]=3 818 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3o2 34a_100000210268_200012361514 [1,0,0,0,1,0|2,0,0]=4 819 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3o2 7a_100000210268_100000195508 [1,0,0,0,1,0|2,0,0]=4 820 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ncccc3o2 7a_100000210268_100000696355 [1,0,0,0,1,0|1,0,0]=3 821 B21R3.2429969 c1ccc(cc1)CCSCc2nc3ccccc3o2 62a_100000765856_100000195508 [1,0,0,0,1,0|2,0,0]=4 822 B21R3.2429969 c1ccc(cc1)CCSCc2nc3ncccc3o2 62a_100000765856_100000696355 [1,0,0,0,1,0|1,0,0]=3 823 B21R3.2429969 c1ccc(cc1)SCSCc2nc3ncccc3o2 62a_100011218342_100000696355 [1,0,0,0,1,0|2,0,0]=4 824 B21R3.2429969 c1ccc(nc1)CCSCc2nc3ncccc3o2 62a_100015183660_100000696355 [1,0,0,0,1,0|2,0,0]=4 825 B21R3.2429969 c1cnc2nc(oc2c1)CSCCc3ccncc3 62a_100000723409_100000696355 [1,0,0,0,1,0|2,0,0]=4 826 B21R3.2429969 c1cncc(c1)CCNCc2nc3ncccc3o2 2230a_100000736294_100000696355 [1,0,0,0,1,0|2,0,0]=4 827 B21R3.2429969 c1cncc(c1)CCSCc2nc3ncccc3o2 62a_200011713674_100000696355 [1,0,0,0,1,0|2,0,0]=4 828 B23R2.179665 O=C(C=Cc1ccccc1O)CCCCCc2ccccc2 1458a_100016263591_200011217138 [0,0,1,0,0,1|2,0,0]=4 829 B23R2.179665 O=C(C=Cc1ccccc1O)CCCCOc2ccccc2 1458a_100016263591_100011215240 [0,0,1,0,0,1|2,0,0]=4 830 B23R2.179665 O=C(C=Cc1ccccc1O)CCCOCc2ccccc2 1458a_100016263591_100011215529 [0,0,1,0,0,1|2,0,0]=4 831 B23R2.477432 O=C(CCCCc1ccccc1)CC(=O)Nc2ccccn2 1458a_100011215911_100020662008 [0,0,1,0,0,1|0,0,2]=4 832 B23R2.477432 O=C(CCCCc1ccccc1)CC(=O)Oc2ccccc2 1458a_100011215911_100009813826 [0,0,1,0,0,1|2,0,0]=4 833 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)CCCCCc2ccccc2 1458a_100025712827_200011217138 [0,0,1,0,0,1|2,0,0]=4 834 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)CCCCOc2ccccc2 1458a_100025712827_100011215240 [0,0,1,0,0,1|2,0,0]=4 835 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)CCCOCc2ccccc2 1458a_100025712827_100011215529 [0,0,1,0,0,1|2,0,0]=4 836 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)NCCCCc2ccccc2 11a_100015280158_100025712827 [0,0,1,0,0,1|2,0,0]=4 837 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)NCCCCc2ccccc2 1626a_100015280158_100025712827 [0,0,1,0,0,1|2,0,0]=4 838 B23R2.477864 C/C(=C\c1ccccn1)/C(=O)NCCCCc2ccccc2 527a_100015280158_100025712827 [0,0,1,0,0,1|2,0,0]=4 839 B23R2.477864 O=C(CCCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200011217138 [0,0,1,0,0,1|2,0,0]=4 840 B23R2.477864 O=C(CCCCOc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100011215240 [0,0,1,0,0,1|2,0,0]=4 841 B23R2.477864 O=C(CCCOCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100011215529 [0,0,1,0,0,1|2,0,0]=4 842 B23R2.477864 O=C(NCCCCc1ccccc1)C(=Cc2cccnc2)F 11a_100015280158_100000731744 [0,0,1,0,0,1|2,0,0]=4 843 B23R2.477864 O=C(NCCCCc1ccccc1)C(=Cc2cccnc2)F 240690a_100015280158_100000731744 [0,0,1,0,0,1|2,0,0]=4 844 B23R2.477864 O=C(NCCCCc1ccccc1)C(=Cc2cccnc2)F 527a_100015280158_100000731744 [0,0,1,0,0,1|2,0,0]=4 845 B23R3.1974307 c1ccc(cc1)CCCCNc2ccc3cccnc3n2 27a_100015280158_100000075685 [1,0,0,0,0,1|2,0,0]=4 846 B23R3.1974307 c1ccc(cc1)CCCCNc2cnc3cccnc3n2 27a_100015280158_200010275043 [1,0,0,0,0,1|2,0,0]=4 847 B23R3.1974307 c1ccc(cc1)CCCCNc2cnc3ncccc3n2 27a_100015280158_100000084304 [1,0,0,0,0,1|2,0,0]=4 848 B23R3.1974307 c1ccc(cc1)CCCCNc2ncc3cccnc3n2 27a_100015280158_100009875485 [1,0,0,0,0,1|2,0,0]=4 849 B23R3.1974307 c1ccc(cc1)CCCCSc2ccc3cccnc3n2 62a_100000075685_100000701786 [1,0,0,0,0,1|2,0,0]=4 850 B23R3.1974307 c1ccc(cc1)CCCCSc2ccc3cccnc3n2 62a_100000701786_100000075685 [1,0,0,0,0,1|2,0,0]=4 851 B23R3.1974307 c1ccc(cc1)CCCCSc2cnc3cccnc3n2 62a_100000701786_200010275043 [1,0,0,0,0,1|2,0,0]=4 852 B23R3.1974307 c1ccc(cc1)CCCCSc2cnc3cccnc3n2 62a_200010275043_100000701786 [1,0,0,0,0,1|2,0,0]=4 853 B23R3.1974307 c1ccc(cc1)CCCCSc2cnc3ncccc3n2 62a_100000084304_100000701786 [1,0,0,0,0,1|2,0,0]=4 854 B23R3.1974307 c1ccc(cc1)CCCCSc2cnc3ncccc3n2 62a_100000701786_100000084304 [1,0,0,0,0,1|2,0,0]=4 855 B23R3.1974307 c1ccc(cc1)CCCCSc2ncc3cccnc3n2 62a_100000701786_100009875485 [1,0,0,0,0,1|2,0,0]=4 856 B23R3.1974307 c1ccc(cc1)CCCCSc2ncc3cccnc3n2 62a_100009875485_100000701786 [1,0,0,0,0,1|2,0,0]=4 857 B23R3.3869082 c1ccc(cc1)CCCCNCc2cc3ncccc3o2 207a_100015280158_100000104172 [1,0,0,0,0,1|1,0,1]=4 858 B23R3.3869082 c1ccc(cc1)CCCCNCc2cc3ncccc3o2 270004a_100015280158_100000104172 [1,0,0,0,0,1|1,0,1]=4 859 B23R3.3869082 c1ccc(cc1)CCCCNCc2nc3ccccc3o2 2230a_100015280158_100000195508 [1,0,0,0,0,1|1,0,1]=4 860 B23R3.3869082 c1ccc(cc1)CCCCNCc2nc3ccccc3o2 34a_100015280158_200012361514 [1,0,0,0,0,1|1,0,1]=4 861 B23R3.3869082 c1ccc(cc1)CCCCNCc2nc3ncccc3o2 2230a_100015280158_100000696355 [1,0,0,0,0,1|0,0,1]=3 862 B23R3.3869082 c1ccc(cc1)CCCCOCc2nc3ccccc3o2 34a_100000703073_200012361514 [1,0,0,0,0,1|1,0,1]=4 863 B23R3.3869082 c1ccc(cc1)CCCCOCc2nc3ccccc3o2 7a_100000703073_100000195508 [1,0,0,0,0,1|1,0,1]=4 864 B23R3.3869082 c1ccc(cc1)CCCCOCc2nc3ncccc3o2 7a_100000703073_100000696355 [1,0,0,0,0,1|0,0,1]=3 865 B23R3.3869082 c1ccc(cc1)CCCCSCc2nc3ccccc3o2 62a_100000701786_100000195508 [1,0,0,0,0,1|1,0,1]=4 866 B23R3.3869082 c1ccc(cc1)CCCCSCc2nc3ncccc3o2 62a_100000701786_100000696355 [1,0,0,0,0,1|0,0,1]=3 867 B23R3.3869082 c1ccc(cc1)COCCNCc2nc3ncccc3o2 2230a_100000753106_100000696355 [1,0,0,0,0,1|1,0,1]=4 868 B23R3.3869082 c1ccc(cc1)COCCOCc2nc3ncccc3o2 7a_100000759325_100000696355 [1,0,0,0,0,1|1,0,1]=4 869 B23R3.3869082 c1ccc(cc1)COCCSCc2nc3ncccc3o2 62a_100000234347_100000696355 [1,0,0,0,0,1|1,0,1]=4 870 B23R3.3869082 c1ccc(cc1)CSCCNCc2nc3ncccc3o2 2230a_100000189534_100000696355 [1,0,0,0,0,1|1,0,1]=4 871 B23R3.3869082 c1ccc(cc1)CSCCNCc2nc3ncccc3o2 7a_100000189534_100000696355 [1,0,0,0,0,1|1,0,1]=4 872 B23R3.3869082 c1ccc(cc1)CSCCOCc2nc3ncccc3o2 7a_100011205989_100000696355 [1,0,0,0,0,1|1,0,1]=4 873 B23R3.3869082 c1ccc(cc1)CSCCSCc2nc3ncccc3o2 62a_200011297719_100000696355 [1,0,0,0,0,1|1,0,1]=4 874 B23R3.3869082 c1ccc(cc1)OCCCNCc2nc3ncccc3o2 2230a_100000216521_100000696355 [1,0,0,0,0,1|1,0,1]=4 875 B23R3.3869082 c1ccc(cc1)OCCCOCc2nc3ncccc3o2 7a_100011215863_100000696355 [1,0,0,0,0,1|1,0,1]=4 876 B23R3.3869082 c1ccc(cc1)OCCCSCc2nc3ncccc3o2 62a_100000199009_100000696355 [1,0,0,0,0,1|1,0,1]=4 877 B23R3.3869082 c1ccc(cc1)SCCCNCc2nc3ncccc3o2 2230a_100000184639_100000696355 [1,0,0,0,0,1|1,0,1]=4 878 B23R3.3869082 c1ccc(cc1)SCCCSCc2nc3ncccc3o2 62a_200011203293_100000696355 [1,0,0,0,0,1|1,0,1]=4 879 B23R3.3869082 c1cnc2nc(oc2c1)CSCCCCc3ccncc3 62a_100020630000_100000696355 [1,0,0,0,0,1|1,0,1]=4 880 B23R3.3869082 c1cncc(c1)CCCCOCc2nc3ncccc3o2 7a_100012039607_100000696355 [1,0,0,0,0,1|1,0,1]=4 881 B23R3.938284 O=C(CCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100000211621 [0,0,0,0,1,1|2,0,0]=4 882 B23R3.938284 O=C(CCCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100000211621 [0,0,0,0,1,1|2,0,0]=4 883 B23R3.938284 O=C(CCCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100000211621 [0,0,0,0,1,1|2,0,0]=4 884 B23R3.151470784 O=C(CCCCc1cccs1)Cc2nc3ccccc3o2 1458a_100011216592_100000195508 [0,0,0,0,1,1|2,0,0]=4 885 B23R3.151470784 O=C(CCCCc1cccs1)Cc2nc3ncccc3o2 1458a_100011216592_100000696355 [0,0,0,0,1,1|1,0,0]=3 886 B25R3.3979048 O=C(CCCCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200011217138 [0,0,0,0,0,2|2,0,0]=4 887 B25R3.3979048 O=C(CCCCCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200011217138 [0,0,0,0,0,2|2,0,0]=4 888 B25R3.3979048 O=C(CCCCCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200011217138 [0,0,0,0,0,2|2,0,0]=4 889 B25R3.3979048 O=C(CCCCOc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100011215240 [0,0,0,0,0,2|2,0,0]=4 890 B25R3.3979048 O=C(CCCCOc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100011215240 [0,0,0,0,0,2|2,0,0]=4 891 B25R3.3979048 O=C(CCCCOc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100011215240 [0,0,0,0,0,2|2,0,0]=4 892 B25R3.3979048 O=C(CCCOCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100011215529 [0,0,0,0,0,2|2,0,0]=4 893 B25R3.3979048 O=C(CCCOCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100011215529 [0,0,0,0,0,2|2,0,0]=4 894 B25R3.3979048 O=C(CCCOCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100011215529 [0,0,0,0,0,2|2,0,0]=4 895 B25R3.3979048 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3OC2 11a_100015280158_100000018039 [0,0,0,0,0,2|2,0,0]=4 896 B25R3.3979048 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3OC2 1626a_100015280158_100000018039 [0,0,0,0,0,2|2,0,0]=4 897 B25R3.3979048 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3OC2 240690a_100015280158_100000018039 [0,0,0,0,0,2|2,0,0]=4 898 B25R3.3979048 O=C(NCCCCc1ccccc1)C2=Cc3ccccc3OC2 527a_100015280158_100000018039 [0,0,0,0,0,2|2,0,0]=4 899 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3cccnc3c2 11a_100015280158_100011933907 [0,0,0,0,0,2|2,0,0]=4 900 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3cccnc3c2 1626a_100015280158_100011933907 [0,0,0,0,0,2|2,0,0]=4 901 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3cccnc3c2 240690a_100015280158_100011933907 [0,0,0,0,0,2|2,0,0]=4 902 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3cccnc3c2 527a_100015280158_100011933907 [0,0,0,0,0,2|2,0,0]=4 903 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3ncccc3c2 11a_100015280158_100011216044 [0,0,0,0,0,2|2,0,0]=4 904 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3ncccc3c2 1626a_100015280158_100011216044 [0,0,0,0,0,2|2,0,0]=4 905 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3ncccc3c2 240690a_100015280158_100011216044 [0,0,0,0,0,2|2,0,0]=4 906 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3ncccc3c2 527a_100015280158_100011216044 [0,0,0,0,0,2|2,0,0]=4 907 B25R3.32600515 O=C(CCCCc1ccccc1)C2=Cc3ccccc3OC=C2 1458a_200000089061_100000701786 [0,0,0,0,0,2|2,0,0]=4 908 B25R3.32600701 O=C(CCCCc1ccccc1)Cc2cc3ccccc3cn2 1458a_100011215911_100009869231 [0,0,0,0,0,2|2,0,0]=4 909 B25R3.32600701 O=C(CCCCc1ccccc1)Cc2ccc3ccccc3n2 1458a_100011215911_100000737579 [0,0,0,0,0,2|2,0,0]=4 910 B25R3.32600701 O=C(CCCCc1ccccc1)Cc2ccc3ncccc3c2 1458a_100011215911_100000703657 [0,0,0,0,0,2|2,0,0]=4 911 B25R3.32600701 O=C(CCCCc1ccccc1)Cc2ccc3ncccc3c2 1458a_100011218584_100000701786 [0,0,0,0,0,2|2,0,0]=4 912 B25R3.32600701 O=C(CCCCc1ccccc1)Cc2cnc3ccccc3n2 1458a_100011215911_200000751123 [0,0,0,0,0,2|2,0,0]=4 913 B25R3.32600701 O=C(CCCCc1ccccc1)Cc2ncc3ccccc3n2 1458a_100011215911_100009868571 [0,0,0,0,0,2|2,0,0]=4 914 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3cccnc3c2 11a_100102887122_100011215911 [0,0,0,0,0,2|2,0,0]=4 915 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3cccnc3c2 1626a_100102887122_100011215911 [0,0,0,0,0,2|2,0,0]=4 916 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3cccnc3c2 22a_100102887122_100011215911 [0,0,0,0,0,2|2,0,0]=4 917 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3cccnc3c2 527a_100102887122_100011215911 [0,0,0,0,0,2|2,0,0]=4 918 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3ncccc3c2 11a_100011198106_100011215911 [0,0,0,0,0,2|2,0,0]=4 919 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3ncccc3c2 1626a_100011198106_100011215911 [0,0,0,0,0,2|2,0,0]=4 920 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3ncccc3c2 22a_100011198106_100011215911 [0,0,0,0,0,2|2,0,0]=4 921 B25R3.32600701 O=C(CCCCc1ccccc1)Nc2ccc3ncccc3c2 527a_100011198106_100011215911 [0,0,0,0,0,2|2,0,0]=4 922 B25R3.32599566 CC(=NNc1nc2ccccc2o1)CCCCc3ccccc3 4a_100000182307_200011485782 [0,0,0,0,0,2|2,0,0]=4 923 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)CCCCc3ccccc3 1458a_100000697878_100000701786 [0,0,0,0,0,2|1,0,0]=3 924 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)CCCCc3ccncc3 1458a_100000697878_100020630000 [0,0,0,0,0,2|2,0,0]=4 925 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)CCCOc3ccccc3 1458a_100000697878_100000199009 [0,0,0,0,0,2|2,0,0]=4 926 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)CCCSc3ccccc3 1458a_100000697878_200011203293 [0,0,0,0,0,2|2,0,0]=4 927 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)CCOCc3ccccc3 1458a_100000697878_100000234347 [0,0,0,0,0,2|2,0,0]=4 928 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)CCSCc3ccccc3 1458a_100000697878_200011297719 [0,0,0,0,0,2|2,0,0]=4 929 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)NCCCc3ccccc3 11a_100000211184_100000697878 [0,0,0,0,0,2|2,0,0]=4 930 B25R3.32599566 O=C(C=Cc1nc2ccccc2o1)NCCCc3ccccc3 240690a_100000211184_100000697878 [0,0,0,0,0,2|2,0,0]=4 931 B25R3.32599566 O=C(C=Cc1nc2ccccc2s1)CCCCc3ccccc3 1458a_100000682698_100000701786 [0,0,0,0,0,2|1,1,0]=4 932 B25R3.32599566 O=C(C=Cc1nc2ccccc2s1)CCCCc3ccccc3 6a_100011204187_200011485782 [0,0,0,0,0,2|1,1,0]=4 933 B25R3.32599566 O=C(CCCCc1ccccc1)CCc2nc3ccccc3[nH]2 1458a_100102526157_100000701786 [0,0,0,0,0,2|2,0,0]=4 934 B25R3.32599566 O=C(CCCCc1ccccc1)CCc2nc3ccccc3s2 1458a_100000182949_100000701786 [0,0,0,0,0,2|1,1,0]=4 935 B25R3.32599566 O=C(CCCCc1ccccc1)CSc2nc3ccccc3[nH]2 1458a_100000179484_100000701786 [0,0,0,0,0,2|2,0,0]=4 936 B25R3.32599566 O=C(CCCCc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_100000701786 [0,0,0,0,0,2|1,0,0]=3 937 B25R3.32599566 O=C(CCCCc1ccccc1)CSc2nc3ccccc3s2 1458a_100000179486_100000701786 [0,0,0,0,0,2|1,1,0]=4 938 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cc3ccccc3o2 11a_100011220112_100011215911 [0,0,0,0,0,2|2,0,0]=4 939 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cc3ccccc3o2 1626a_100011220112_100011215911 [0,0,0,0,0,2|2,0,0]=4 940 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cc3ccccc3o2 240690a_100011220112_100011215911 [0,0,0,0,0,2|2,0,0]=4 941 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cc3ccccc3o2 527a_100011220112_100011215911 [0,0,0,0,0,2|2,0,0]=4 942 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cn3cccnc3n2 11a_100025705072_100011215911 [0,0,0,0,0,2|2,0,0]=4 943 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cn3cccnc3n2 1626a_100025705072_100011215911 [0,0,0,0,0,2|2,0,0]=4 944 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cn3cccnc3n2 240690a_100025705072_100011215911 [0,0,0,0,0,2|2,0,0]=4 945 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2cn3cccnc3n2 527a_100025705072_100011215911 [0,0,0,0,0,2|2,0,0]=4 946 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3[nH]2 240690a_100000729406_100011215911 [0,0,0,0,0,2|2,0,0]=4 947 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3[nH]2 527a_100000729406_100011215911 [0,0,0,0,0,2|2,0,0]=4 948 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3o2 11a_100000733820_100011215911 [0,0,0,0,0,2|1,0,0]=3 949 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3o2 1626a_100000733820_100011215911 [0,0,0,0,0,2|1,0,0]=3 950 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3o2 240690a_100000733820_100011215911 [0,0,0,0,0,2|1,0,0]=3 951 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3o2 527a_100000733820_100011215911 [0,0,0,0,0,2|1,0,0]=3 952 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3s2 11a_100000174905_100011215911 [0,0,0,0,0,2|1,1,0]=4 953 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3s2 1626a_100000174905_100011215911 [0,0,0,0,0,2|1,1,0]=4 954 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3s2 240690a_100000174905_100011215911 [0,0,0,0,0,2|1,1,0]=4 955 B25R3.32599566 O=C(CCCCc1ccccc1)NCc2nc3ccccc3s2 527a_100000174905_100011215911 [0,0,0,0,0,2|1,1,0]=4 956 B25R3.32599566 O=C(CCCCc1ccccc1)NNc2nc3ccccc3[nH]2 22a_100000188875_100011215911 [0,0,0,0,0,2|2,0,0]=4 957 B25R3.32599566 O=C(CCCCc1ccccc1)NNc2nc3ccccc3o2 22a_100000182307_100011215911 [0,0,0,0,0,2|1,0,0]=3 958 B25R3.32599566 O=C(CCCCc1ccccc1)NNc2nc3ccccc3s2 22a_100000181811_100011215911 [0,0,0,0,0,2|1,1,0]=4 959 B25R3.32599566 O=C(CCCCc1ccncc1)CSc2nc3ccccc3o2 1458a_200000179485_100020630000 [0,0,0,0,0,2|2,0,0]=4 960 B25R3.32599566 O=C(CCCOc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_100000199009 [0,0,0,0,0,2|2,0,0]=4 961 B25R3.32599566 O=C(CCCOc1ccccc1)NCc2nc3ccccc3o2 11a_100000733820_100000212059 [0,0,0,0,0,2|2,0,0]=4 962 B25R3.32599566 O=C(CCCOc1ccccc1)NCc2nc3ccccc3o2 1626a_100000733820_100000212059 [0,0,0,0,0,2|2,0,0]=4 963 B25R3.32599566 O=C(CCCOc1ccccc1)NCc2nc3ccccc3o2 240690a_100000733820_100000212059 [0,0,0,0,0,2|2,0,0]=4 964 B25R3.32599566 O=C(CCCOc1ccccc1)NCc2nc3ccccc3o2 527a_100000733820_100000212059 [0,0,0,0,0,2|2,0,0]=4 965 B25R3.32599566 O=C(CCCOc1ccccc1)NNc2nc3ccccc3o2 22a_100000182307_100000212059 [0,0,0,0,0,2|2,0,0]=4 966 B25R3.32599566 O=C(CCCSc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_200011203293 [0,0,0,0,0,2|2,0,0]=4 967 B25R3.32599566 O=C(CCCSc1ccccc1)NCc2nc3ccccc3o2 11a_100000733820_100000182835 [0,0,0,0,0,2|2,0,0]=4 968 B25R3.32599566 O=C(CCCSc1ccccc1)NCc2nc3ccccc3o2 1626a_100000733820_100000182835 [0,0,0,0,0,2|2,0,0]=4 969 B25R3.32599566 O=C(CCCSc1ccccc1)NCc2nc3ccccc3o2 240690a_100000733820_100000182835 [0,0,0,0,0,2|2,0,0]=4 970 B25R3.32599566 O=C(CCCSc1ccccc1)NCc2nc3ccccc3o2 527a_100000733820_100000182835 [0,0,0,0,0,2|2,0,0]=4 971 B25R3.32599566 O=C(CCCSc1ccccc1)NNc2nc3ccccc3o2 22a_100000182307_100000182835 [0,0,0,0,0,2|2,0,0]=4 972 B25R3.32599566 O=C(CCOCc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_100000234347 [0,0,0,0,0,2|2,0,0]=4 973 B25R3.32599566 O=C(CCOCc1ccccc1)NCc2nc3ccccc3o2 11a_100000733820_100000743319 [0,0,0,0,0,2|2,0,0]=4 974 B25R3.32599566 O=C(CCOCc1ccccc1)NCc2nc3ccccc3o2 1626a_100000733820_100000743319 [0,0,0,0,0,2|2,0,0]=4 975 B25R3.32599566 O=C(CCOCc1ccccc1)NCc2nc3ccccc3o2 240690a_100000733820_100000743319 [0,0,0,0,0,2|2,0,0]=4 976 B25R3.32599566 O=C(CCOCc1ccccc1)NCc2nc3ccccc3o2 527a_100000733820_100000743319 [0,0,0,0,0,2|2,0,0]=4 977 B25R3.32599566 O=C(CCOCc1ccccc1)NNc2nc3ccccc3o2 22a_100000182307_100000743319 [0,0,0,0,0,2|2,0,0]=4 978 B25R3.32599566 O=C(CCSCc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_200011297719 [0,0,0,0,0,2|2,0,0]=4 979 B25R3.32599566 O=C(CCSCc1ccccc1)NCc2nc3ccccc3o2 11a_100000733820_100000173759 [0,0,0,0,0,2|2,0,0]=4 980 B25R3.32599566 O=C(CCSCc1ccccc1)NCc2nc3ccccc3o2 1626a_100000733820_100000173759 [0,0,0,0,0,2|2,0,0]=4 981 B25R3.32599566 O=C(CCSCc1ccccc1)NCc2nc3ccccc3o2 240690a_100000733820_100000173759 [0,0,0,0,0,2|2,0,0]=4 982 B25R3.32599566 O=C(CCSCc1ccccc1)NCc2nc3ccccc3o2 527a_100000733820_100000173759 [0,0,0,0,0,2|2,0,0]=4 983 B25R3.32599566 O=C(CCSCc1ccccc1)NNc2nc3ccccc3o2 22a_100000182307_100000173759 [0,0,0,0,0,2|2,0,0]=4 984 B25R3.32599566 O=C(CSc1nc2ccccc2o1)NCCCc3ccccc3 527a_100000211184_200000179485 [0,0,0,0,0,2|2,0,0]=4 985 B25R3.32599566 O=C(NCCCc1ccccc1)NCc2nc3ccccc3o2 2708a_100000211184_100000733820 [0,0,0,0,0,2|2,0,0]=4 986 B25R3.32599566 O=C(NCCCc1ccccc1)NCc2nc3ccccc3o2 2708a_100000733820_100000211184 [0,0,0,0,0,2|2,0,0]=4 987 B25R3.32599566 O=C(NCCCc1ccccc1)NCc2nc3ccccc3o2 273464a_100000211184_100000733820 [0,0,0,0,0,2|2,0,0]=4 988 B25R3.32599566 O=C(NCCCc1ccccc1)NCc2nc3ccccc3o2 273464a_100000733820_100000211184 [0,0,0,0,0,2|2,0,0]=4 989 B25R3.32599566 O=C(NCCCc1ccccc1)NCc2nc3ccccc3o2 512a_100000211184_100000733820 [0,0,0,0,0,2|2,0,0]=4 990 B25R3.32599566 O=C(NCCCc1ccccc1)NCc2nc3ccccc3o2 512a_100000733820_100000211184 [0,0,0,0,0,2|2,0,0]=4 991 B25R3.32599566 O=C(NCCCc1ccccc1)NNc2nc3ccccc3o2 273464a_100000211184_100000182307 [0,0,0,0,0,2|2,0,0]=4 992 B25R3.32599566 O=C(NCCCc1ccccc1)NNc2nc3ccccc3o2 512a_100000182307_100000211184 [0,0,0,0,0,2|2,0,0]=4 993 B25R3.32599566 O=C(NCCCc1ccccc1)NNc2nc3ccccc3o2 512a_100000211184_100000182307 [0,0,0,0,0,2|2,0,0]=4 994 B25R3.32634877 CN(CCCOCc1ccccc1)Cc2nc3ncccc3o2 2230a_100000233174_100000696355 [0,0,0,0,0,2|2,0,0]=4 995 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_200011217138 [0,0,0,0,0,2|2,0,0]=4 996 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100011216832_100000737899 [0,0,0,0,0,2|2,0,0]=4 997 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100011216832_100000195508 [0,0,0,0,0,2|1,0,0]=3 998 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200011217138 [0,0,0,0,0,2|1,0,0]=3 999 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3ccccc3s2 1458a_100011216832_100011217541 [0,0,0,0,0,2|1,1,0]=4 1000 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100011216832_100011549802 [0,0,0,0,0,2|1,0,1]=4 1001 B25R3.32634877 O=C(CCCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100011216832_100000696355 [0,0,0,0,0,2|0,0,0]=2 1002 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100011215240 [0,0,0,0,0,2|2,0,0]=4 1003 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_200011216290_100000737899 [0,0,0,0,0,2|2,0,0]=4 1004 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100011215240 [0,0,0,0,0,2|1,0,0]=3 1005 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_200011216290_100000195508 [0,0,0,0,0,2|1,0,0]=3 1006 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2nc3ccccc3s2 1458a_200011216290_100011217541 [0,0,0,0,0,2|1,1,0]=4 1007 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_200011216290_100011549802 [0,0,0,0,0,2|1,0,1]=4 1008 B25R3.32634877 O=C(CCCCOc1ccccc1)Cc2nc3ncccc3o2 1458a_200011216290_100000696355 [0,0,0,0,0,2|0,0,0]=2 1009 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100011215529 [0,0,0,0,0,2|2,0,0]=4 1010 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2nc3ccccc3[nH]2 1458a_100000748059_100000737899 [0,0,0,0,0,2|2,0,0]=4 1011 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100000748059_100000195508 [0,0,0,0,0,2|1,0,0]=3 1012 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100011215529 [0,0,0,0,0,2|1,0,0]=3 1013 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2nc3ccccc3s2 1458a_100000748059_100011217541 [0,0,0,0,0,2|1,1,0]=4 1014 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000748059_100011549802 [0,0,0,0,0,2|1,0,1]=4 1015 B25R3.32634877 O=C(CCCOCc1ccccc1)Cc2nc3ncccc3o2 1458a_100000748059_100000696355 [0,0,0,0,0,2|0,0,0]=2 1016 B25R3.32634877 O=C(CCNCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100000106460_200011213626 [0,0,0,0,0,2|1,1,0]=4 1017 B25R3.32634877 O=C(CCOCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000210268_200011213626 [0,0,0,0,0,2|1,1,0]=4 1018 B25R3.32634877 O=C(CNCCCc1ccccc1)Nc2nc3ccccc3[nH]2 2230a_100000211184_100011353410 [0,0,0,0,0,2|2,0,0]=4 1019 B25R3.32634877 O=C(CNCCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100000211184_100000752643 [0,0,0,0,0,2|1,1,0]=4 1020 B25R3.32634877 O=C(COCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000210828_100000752643 [0,0,0,0,0,2|1,1,0]=4 1021 B25R3.32634877 O=C(CSCCOc1ccccc1)Cc2nc3ccccc3o2 1458a_200000150159_100000195508 [0,0,0,0,0,2|2,0,0]=4 1022 B25R3.32634877 O=C(CSCCOc1ccccc1)Cc2nc3ncccc3o2 1458a_200000150159_100000696355 [0,0,0,0,0,2|1,0,0]=3 1023 B25R3.32634877 O=C(Cc1cc2ccccc2o1)NCCCCc3ccccc3 11a_100015280158_100000735538 [0,0,0,0,0,2|2,0,0]=4 1024 B25R3.32634877 O=C(Cc1cc2ccccc2o1)NCCCCc3ccccc3 240690a_100015280158_100000735538 [0,0,0,0,0,2|2,0,0]=4 1025 B25R3.32634877 O=C(Cc1nc2ccccc2[nH]1)NCCCCc3ccccc3 240690a_100015280158_100000188031 [0,0,0,0,0,2|2,0,0]=4 1026 B25R3.32634877 O=C(Cc1nc2ccccc2s1)NCCCCc3ccccc3 240690a_100015280158_100000747980 [0,0,0,0,0,2|1,1,0]=4 1027 B25R3.32645266 O=C(CNCCCCc1ccccc1)c2nc3ccccc3s2 2230a_100015280158_100000198972 [0,0,0,0,0,2|1,1,0]=4 1028 B25R3.32645266 O=C(CNCCCOc1ccccc1)c2nc3ccccc3s2 2230a_100000216521_100000198972 [0,0,0,0,0,2|1,1,0]=4 1029 B25R3.32645266 O=C(CNCCCSc1ccccc1)c2nc3ccccc3s2 2230a_100000184639_100000198972 [0,0,0,0,0,2|1,1,0]=4 1030 B25R3.32645266 O=C(CNCCOCc1ccccc1)c2nc3ccccc3s2 2230a_100000753106_100000198972 [0,0,0,0,0,2|1,1,0]=4 1031 B25R3.32645266 O=C(CNCCSCc1ccccc1)c2nc3ccccc3s2 2230a_100000189534_100000198972 [0,0,0,0,0,2|1,1,0]=4 1032 B25R3.32645266 O=C(CSCCCCc1ccccc1)c2cc3ccccc3o2 62a_100000701786_100000209828 [0,0,0,0,0,2|2,0,0]=4 1033 B25R3.32645266 O=C(CSCCCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000701786 [0,0,0,0,0,2|1,1,0]=4 1034 B25R3.32645266 O=C(CSCCCOc1ccccc1)c2cc3ccccc3o2 62a_100000199009_100000209828 [0,0,0,0,0,2|2,0,0]=4 1035 B25R3.32645266 O=C(CSCCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000199009 [0,0,0,0,0,2|1,1,0]=4 1036 B25R3.32645266 O=C(CSCCCSc1ccccc1)c2cc3ccccc3o2 62a_200011203293_100000209828 [0,0,0,0,0,2|2,0,0]=4 1037 B25R3.32645266 O=C(CSCCCSc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011203293 [0,0,0,0,0,2|1,1,0]=4 1038 B25R3.32645266 O=C(CSCCOCc1ccccc1)c2cc3ccccc3o2 62a_100000234347_100000209828 [0,0,0,0,0,2|2,0,0]=4 1039 B25R3.32645266 O=C(CSCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100000234347 [0,0,0,0,0,2|1,1,0]=4 1040 B25R3.32645266 O=C(CSCCSCc1ccccc1)c2cc3ccccc3o2 62a_200011297719_100000209828 [0,0,0,0,0,2|2,0,0]=4 1041 B25R3.32645266 O=C(CSCCSCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011297719 [0,0,0,0,0,2|1,1,0]=4 1042 B25R3.32645266 O=C(NN=CCCCc1ccccc1)c2nc3ccccc3o2 4a_200000092613_100011361547 [0,0,0,0,0,2|1,0,1]=4