0 B18R3.11 C(=C1CCCC1)c2cccc3c2cccc3 271570a_100010378317_100000210605 [0,0,0,0,0,0|2,0,1]=3 1 B18R3.11 C(=C1CCCC1)c2cccc3c2cccn3 271570a_100010378317_100011290932 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.11 C(=C1CCCC1)c2cccc3c2ccnc3 271570a_100010378317_100000186358 [0,0,0,0,0,0|3,0,1]=4 3 B18R3.11 C(=C1CCCC1)c2cccc3c2cncc3 271570a_100010378317_100000685578 [0,0,0,0,0,0|3,0,1]=4 4 B18R3.11 C(=C1CCCC1)c2cccc3c2nccc3 271570a_100010378317_100011215545 [0,0,0,0,0,0|3,0,1]=4 5 B18R3.11 C(=C1CCCC1)c2ccnc3c2cccc3 271570a_100010378317_100011215880 [0,0,0,0,0,0|3,0,1]=4 6 B18R3.11 C(=C1CCCC1)c2cncc3c2cccc3 271570a_100010378317_100000187577 [0,0,0,0,0,0|3,0,1]=4 7 B18R3.11 C(=C1CCCC1)c2nccc3c2cccc3 271570a_100010378317_100011934041 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.11 c1cc(c2cccnc2c1)CN3CCCC3 270004a_100000188435_100000708479 [0,0,0,0,0,0|4,0,0]=4 9 B18R3.11 c1cc(c2cccnc2c1)Sc3ncc[nH]3 62a_100011290932_100025796157 [0,0,0,0,0,0|2,0,2]=4 10 B18R3.11 c1cc(c2cccnc2c1)Sc3ncc[nH]3 62a_100025796157_100011290932 [0,0,0,0,0,0|2,0,2]=4 11 B18R3.11 c1cc(c2ccncc2c1)CN3CCCC3 2230a_100000188435_100016989825 [0,0,0,0,0,0|4,0,0]=4 12 B18R3.11 c1cc(c2ccncc2c1)CN3CCCC3 269982a_100000188435_100016989825 [0,0,0,0,0,0|4,0,0]=4 13 B18R3.11 c1cc(c2ccncc2c1)CN3CCCC3 270004a_100000188435_100000750165 [0,0,0,0,0,0|4,0,0]=4 14 B18R3.11 c1cc(c2ccncc2c1)Sc3ncc[nH]3 62a_100000186358_100025796157 [0,0,0,0,0,0|2,0,2]=4 15 B18R3.11 c1cc(c2ccncc2c1)Sc3ncc[nH]3 62a_100025796157_100000186358 [0,0,0,0,0,0|2,0,2]=4 16 B18R3.11 c1cc(c2cnccc2c1)CN3CCCC3 270004a_100000188435_100011934574 [0,0,0,0,0,0|4,0,0]=4 17 B18R3.11 c1cc(c2cnccc2c1)Sc3ncc[nH]3 62a_100000685578_100025796157 [0,0,0,0,0,0|2,0,2]=4 18 B18R3.11 c1cc(c2cnccc2c1)Sc3ncc[nH]3 62a_100025796157_100000685578 [0,0,0,0,0,0|2,0,2]=4 19 B18R3.11 c1ccc2c(cccc2c1)CN3CCCC3 2230a_100000188435_100011261445 [0,0,0,0,0,0|3,0,0]=3 20 B18R3.11 c1ccc2c(cccc2c1)CN3CCCC3 269982a_100000188435_100000188474 [0,0,0,0,0,0|3,0,0]=3 21 B18R3.11 c1ccc2c(cccc2c1)CN3CCCC3 270004a_100000188435_100000210074 [0,0,0,0,0,0|3,0,0]=3 22 B18R3.11 c1ccc2c(cccc2c1)CN3CCSC3 2230a_100011215254_100011261445 [0,0,0,0,0,0|4,0,0]=4 23 B18R3.11 c1ccc2c(cccc2c1)CN3CCSC3 269982a_100011215254_100000188474 [0,0,0,0,0,0|4,0,0]=4 24 B18R3.11 c1ccc2c(cccc2c1)CN3CCSC3 270004a_100011215254_100000210074 [0,0,0,0,0,0|4,0,0]=4 25 B18R3.11 c1ccc2c(cccc2c1)NC3CCCC3 34a_100000185869_100000179811 [0,0,0,0,0,0|3,0,1]=4 26 B18R3.11 c1ccc2c(cccc2c1)Nc3ncns3 27a_100000185869_100000693119 [0,0,0,0,0,0|3,0,1]=4 27 B18R3.11 c1ccc2c(cccc2c1)Nc3nncs3 27a_100000185869_100000739804 [0,0,0,0,0,0|3,0,1]=4 28 B18R3.11 c1ccc2c(cccc2c1)OC3CCCC3 34a_100000210388_100000179811 [0,0,0,0,0,0|3,0,1]=4 29 B18R3.11 c1ccc2c(cccc2c1)OC3CCCC3 7a_100000210388_100000179811 [0,0,0,0,0,0|3,0,1]=4 30 B18R3.11 c1ccc2c(cccc2c1)SC3CCCC3 62a_100011217020_100000210605 [0,0,0,0,0,0|3,0,1]=4 31 B18R3.11 c1ccc2c(cccc2c1)Sc3c[nH]cn3 62a_100000756875_100000210605 [0,0,0,0,0,0|3,0,1]=4 32 B18R3.11 c1ccc2c(cccc2c1)Sc3c[nH]nn3 62a_100009819707_100000210605 [0,0,0,0,0,0|4,0,0]=4 33 B18R3.11 c1ccc2c(cccc2c1)Sc3cc[nH]n3 62a_100000062575_100000210605 [0,0,0,0,0,0|3,0,1]=4 34 B18R3.11 c1ccc2c(cccc2c1)Sc3ccon3 62a_100009818083_100000210605 [0,0,0,0,0,0|3,0,1]=4 35 B18R3.11 c1ccc2c(cccc2c1)Sc3ccsn3 62a_100009818082_100000210605 [0,0,0,0,0,0|3,0,1]=4 36 B18R3.11 c1ccc2c(cccc2c1)Sc3cscn3 62a_100000751502_100000210605 [0,0,0,0,0,0|3,0,1]=4 37 B18R3.11 c1ccc2c(cccc2c1)Sc3nc[nH]n3 62a_100000761765_100000210605 [0,0,0,0,0,0|2,0,2]=4 38 B18R3.11 c1ccc2c(cccc2c1)Sc3ncc[nH]3 62a_100025796157_100000210605 [0,0,0,0,0,0|1,0,2]=3 39 B18R3.11 c1ccc2c(cccc2c1)Sc3ncco3 62a_100011787736_100000210605 [0,0,0,0,0,0|2,0,2]=4 40 B18R3.11 c1ccc2c(cccc2c1)Sc3nccs3 62a_100000211983_100000210605 [0,0,0,0,0,0|2,0,2]=4 41 B18R3.11 c1ccc2c(cccc2c1)Sc3ncns3 62a_100000693119_100000210605 [0,0,0,0,0,0|3,0,1]=4 42 B18R3.11 c1ccc2c(cccc2c1)Sc3nncs3 62a_100000739804_100000210605 [0,0,0,0,0,0|3,0,1]=4 43 B18R3.11 c1ccc2c(ccnc2c1)CN3CCCC3 2230a_100000188435_100015192512 [0,0,0,0,0,0|4,0,0]=4 44 B18R3.11 c1ccc2c(ccnc2c1)CN3CCCC3 269982a_100000188435_100015192512 [0,0,0,0,0,0|4,0,0]=4 45 B18R3.11 c1ccc2c(ccnc2c1)Sc3ncc[nH]3 62a_100011458314_100025796157 [0,0,0,0,0,0|2,0,2]=4 46 B18R3.11 c1ccc2c(ccnc2c1)Sc3ncc[nH]3 62a_100025796157_100011215880 [0,0,0,0,0,0|2,0,2]=4 47 B18R3.11 c1ccc2c(cncc2c1)CN3CCCC3 270004a_100000188435_100000684730 [0,0,0,0,0,0|4,0,0]=4 48 B18R3.11 c1ccc2c(cncc2c1)Sc3ncc[nH]3 62a_100000187577_100025796157 [0,0,0,0,0,0|2,0,2]=4 49 B18R3.11 c1ccc2c(cncc2c1)Sc3ncc[nH]3 62a_100025796157_100000187577 [0,0,0,0,0,0|2,0,2]=4 50 B18R3.11 c1ccc2c(nccc2c1)CN3CCCC3 2230a_100000188435_100000033776 [0,0,0,0,0,0|4,0,0]=4 51 B18R3.11 c1ccc2c(nccc2c1)CN3CCCC3 270004a_100000188435_100011361464 [0,0,0,0,0,0|4,0,0]=4 52 B18R3.11 c1ccc2c(nccc2c1)Sc3ncc[nH]3 62a_100011934041_100025796157 [0,0,0,0,0,0|2,0,2]=4 53 B18R3.11 c1ccc2c(nccc2c1)Sc3ncc[nH]3 62a_100025796157_100011934041 [0,0,0,0,0,0|2,0,2]=4 54 B18R3.11 c1cnc2c(cccc2c1)CN3CCCC3 2230a_100000188435_100000241032 [0,0,0,0,0,0|4,0,0]=4 55 B18R3.11 c1cnc2c(cccc2c1)CN3CCCC3 269982a_100000188435_100000241032 [0,0,0,0,0,0|4,0,0]=4 56 B18R3.11 c1cnc2c(cccc2c1)CN3CCCC3 270004a_100000188435_100000239888 [0,0,0,0,0,0|4,0,0]=4 57 B18R3.11 c1cnc2c(cccc2c1)Sc3ncc[nH]3 62a_100025796157_100011215545 [0,0,0,0,0,0|2,0,2]=4 58 B19R3.83 C[C@@H]1CCN(C1)Cc2cccc3c2cccc3 2230a_100016987628_100011261445 [0,1,0,0,0,0|3,0,0]=4 59 B19R3.83 C[C@@H]1CCN(C1)Cc2cccc3c2cccc3 269982a_100016987628_100000188474 [0,1,0,0,0,0|3,0,0]=4 60 B19R3.83 C[C@@H]1CCN(C1)Cc2cccc3c2cccc3 270004a_100016987628_100000210074 [0,1,0,0,0,0|3,0,0]=4 61 B19R3.83 C[C@@H]1CCN(C1)Cc2cccc3c2cccc3 34a_100016987628_100011261445 [0,1,0,0,0,0|3,0,0]=4 62 B19R3.83 Cc1c[nH]c(n1)Sc2cccc3c2cccc3 62a_100161115468_100000210605 [0,1,0,0,0,0|1,0,2]=4 63 B19R3.83 Cc1nc(no1)Cc2cccc3c2cccc3 270196a_100000738852_100000070787 [0,1,0,0,0,0|1,0,2]=4 64 B19R3.83 Cc1noc(n1)Cc2cccc3c2cccc3 270196a_100000212224_100000186155 [0,1,0,0,0,0|2,0,1]=4 65 B19R3.83 F[C@H]1CCN(C1)Cc2cccc3c2cccc3 2230a_100015203821_100011261445 [0,1,0,0,0,0|3,0,0]=4 66 B19R3.83 F[C@H]1CCN(C1)Cc2cccc3c2cccc3 269982a_100015203821_100000188474 [0,1,0,0,0,0|3,0,0]=4 67 B19R3.83 F[C@H]1CCN(C1)Cc2cccc3c2cccc3 270004a_100015203821_100000210074 [0,1,0,0,0,0|3,0,0]=4 68 B19R3.83 F[C@H]1CCN(C1)Cc2cccc3c2cccc3 34a_100015203821_100011261445 [0,1,0,0,0,0|3,0,0]=4 69 B19R3.83 OC1CCN(C1)Cc2cccc3c2cccc3 2230a_100011215560_100011261445 [0,1,0,0,0,0|3,0,0]=4 70 B19R3.83 OC1CCN(C1)Cc2cccc3c2cccc3 269982a_100011215560_100000188474 [0,1,0,0,0,0|3,0,0]=4 71 B19R3.83 OC1CCN(C1)Cc2cccc3c2cccc3 270004a_100011215560_100000210074 [0,1,0,0,0,0|3,0,0]=4 72 B19R3.83 Oc1nc(no1)Cc2cccc3c2cccc3 270196a_100000738852_100015183105 [0,1,0,0,0,0|1,0,2]=4 73 B19R3.163 C[C@@H]1CCCN1Cc2cccc3c2cccc3 2230a_100015189458_100011261445 [0,1,0,0,0,0|3,0,0]=4 74 B19R3.163 C[C@@H]1CCCN1Cc2cccc3c2cccc3 269982a_100015189458_100000188474 [0,1,0,0,0,0|3,0,0]=4 75 B19R3.163 C[C@@H]1CCCN1Cc2cccc3c2cccc3 270004a_100015189458_100000210074 [0,1,0,0,0,0|3,0,0]=4 76 B19R3.163 C[C@@H]1CCCN1Cc2cccc3c2cccc3 34a_100015189458_100011261445 [0,1,0,0,0,0|3,0,0]=4 77 B19R3.163 C[C@H]1CCCN1Cc2cccc3c2cccc3 2230a_100020605311_100011261445 [0,1,0,0,0,0|3,0,0]=4 78 B19R3.163 C[C@H]1CCCN1Cc2cccc3c2cccc3 269982a_100020605311_100000188474 [0,1,0,0,0,0|3,0,0]=4 79 B19R3.163 C[C@H]1CCCN1Cc2cccc3c2cccc3 270004a_100020605311_100000210074 [0,1,0,0,0,0|3,0,0]=4 80 B19R3.163 Cn1ccnc1Sc2cccc3c2cccc3 62a_100000707724_100000210605 [0,1,0,0,0,0|1,0,2]=4 81 B19R3.163 Cn1ncnc1Nc2cccc3c2cccc3 27a_100000185869_100000732653 [0,1,0,0,0,0|2,0,1]=4 82 B19R3.163 Cn1ncnc1Sc2cccc3c2cccc3 62a_100000732653_100000210605 [0,1,0,0,0,0|2,0,1]=4 83 B19R3.4206 Brc1ccc2c(cccc2c1)CN3CCCC3 26a_100000188435_100010202202 [0,1,0,0,0,0|3,0,0]=4 84 B19R3.8748 Brc1cc(c2ccccc2c1)CN3CCCC3 26a_100000188435_100010089979 [0,1,0,0,0,0|3,0,0]=4 85 B19R3.8748 Nc1cc(c2ccccc2c1)C=C3CCCC3 271570a_100010378317_100010089974 [0,1,0,0,0,0|2,0,1]=4 86 B19R3.8748 Nc1cc(c2ccccc2c1)Sc3ncc[nH]3 62a_100010089974_100025796157 [0,1,0,0,0,0|1,0,2]=4 87 B19R3.8748 Nc1cc(c2ccccc2c1)Sc3ncc[nH]3 62a_100025796157_100010089974 [0,1,0,0,0,0|1,0,2]=4 88 B19R3.8748 Oc1cc(c2ccccc2c1)C=C3CCCC3 271570a_100010378317_100010001680 [0,1,0,0,0,0|2,0,1]=4 89 B19R3.8748 Oc1cc(c2ccccc2c1)Sc3ncc[nH]3 62a_100025796157_100010001680 [0,1,0,0,0,0|1,0,2]=4 90 B19R3.10080 Brc1ccc2ccccc2c1C=C3CCCC3 271570a_100010378317_100010090040 [0,1,0,0,0,0|2,0,1]=4 91 B19R3.10080 Brc1ccc2ccccc2c1CN3CCCC3 26a_100000188435_100009996032 [0,1,0,0,0,0|3,0,0]=4 92 B19R3.10080 Brc1ccc2ccccc2c1CN3CCCC3 270004a_100000188435_100010090029 [0,1,0,0,0,0|3,0,0]=4 93 B19R3.10080 Brc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100010090040_100025796157 [0,1,0,0,0,0|1,0,2]=4 94 B19R3.10080 Brc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100025796157_100010090040 [0,1,0,0,0,0|1,0,2]=4 95 B19R3.10080 Cc1ccc2ccccc2c1C=C3CCCC3 271570a_100010378317_100000759710 [0,1,0,0,0,0|2,0,1]=4 96 B19R3.10080 Cc1ccc2ccccc2c1CN3CCCC3 2230a_100000188435_100000689653 [0,1,0,0,0,0|3,0,0]=4 97 B19R3.10080 Cc1ccc2ccccc2c1CN3CCCC3 269982a_100000188435_100000689653 [0,1,0,0,0,0|3,0,0]=4 98 B19R3.10080 Cc1ccc2ccccc2c1CN3CCCC3 270004a_100000188435_100011361466 [0,1,0,0,0,0|3,0,0]=4 99 B19R3.10080 Cc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100000759710_100025796157 [0,1,0,0,0,0|1,0,2]=4 100 B19R3.10080 Cc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100025796157_100000759710 [0,1,0,0,0,0|1,0,2]=4 101 B19R3.10080 Nc1ccc2ccccc2c1C=C3CCCC3 271570a_100010378317_100000705303 [0,1,0,0,0,0|2,0,1]=4 102 B19R3.10080 Nc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100000705303_100025796157 [0,1,0,0,0,0|1,0,2]=4 103 B19R3.10080 Nc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100025796157_100000705303 [0,1,0,0,0,0|1,0,2]=4 104 B19R3.10080 Oc1ccc2ccccc2c1C=C3CCCC3 271570a_100010378317_100000183829 [0,1,0,0,0,0|2,0,1]=4 105 B19R3.10080 Oc1ccc2ccccc2c1Sc3ncc[nH]3 62a_100025796157_100000183829 [0,1,0,0,0,0|1,0,2]=4 106 B19R3.55796 Brc1ccc2cccc(c2c1)CN3CCCC3 26a_100000188435_100010089991 [0,1,0,0,0,0|3,0,0]=4 107 B19R3.55796 Oc1ccc2cccc(c2c1)C=C3CCCC3 271570a_100010378317_100010169565 [0,1,0,0,0,0|2,0,1]=4 108 B19R3.55796 Oc1ccc2cccc(c2c1)Sc3ncc[nH]3 62a_100025796157_100010169565 [0,1,0,0,0,0|1,0,2]=4 109 B19R3.150358 Brc1cccc2c1cccc2CN3CCCC3 26a_100000188435_100010003857 [0,1,0,0,0,0|3,0,0]=4 110 B19R3.150358 Fc1cccc2c1cccc2C=C3CCCC3 271570a_100010378317_100009817034 [0,1,0,0,0,0|2,0,1]=4 111 B19R3.150358 Fc1cccc2c1cccc2CN3CCCC3 270004a_100000188435_200102526217 [0,1,0,0,0,0|3,0,0]=4 112 B19R3.150358 Fc1cccc2c1cccc2Sc3ncc[nH]3 62a_100009817034_100025796157 [0,1,0,0,0,0|1,0,2]=4 113 B19R3.150358 Fc1cccc2c1cccc2Sc3ncc[nH]3 62a_100025796157_100009817034 [0,1,0,0,0,0|1,0,2]=4 114 B19R3.150358 Nc1cccc2c1cccc2C=C3CCCC3 271570a_100010378317_100009816864 [0,1,0,0,0,0|2,0,1]=4 115 B19R3.150358 Nc1cccc2c1cccc2Sc3ncc[nH]3 62a_100009816864_100025796157 [0,1,0,0,0,0|1,0,2]=4 116 B19R3.150358 Oc1cccc2c1cccc2C=C3CCCC3 271570a_100010378317_100010003857 [0,1,0,0,0,0|2,0,1]=4 117 B19R3.150358 Oc1cccc2c1cccc2Sc3ncc[nH]3 62a_100025796157_100010003857 [0,1,0,0,0,0|1,0,2]=4 118 B19R3.167539 Brc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100012339872 [0,1,0,0,0,0|2,0,1]=4 119 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 2230a_100000188435_100012352185 [0,1,0,0,0,0|3,0,0]=4 120 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 269982a_100000188435_100012352185 [0,1,0,0,0,0|3,0,0]=4 121 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 26a_100000188435_100000186334 [0,1,0,0,0,0|3,0,0]=4 122 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100012359940 [0,1,0,0,0,0|3,0,0]=4 123 B19R3.167539 Brc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100012339872_100025796157 [0,1,0,0,0,0|1,0,2]=4 124 B19R3.167539 Brc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100012339872 [0,1,0,0,0,0|1,0,2]=4 125 B19R3.167539 Cc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100011215156 [0,1,0,0,0,0|2,0,1]=4 126 B19R3.167539 Cc1ccc(c2c1cccc2)CN3CCCC3 2230a_100000188435_100012073487 [0,1,0,0,0,0|3,0,0]=4 127 B19R3.167539 Cc1ccc(c2c1cccc2)CN3CCCC3 269982a_100000188435_100012073487 [0,1,0,0,0,0|3,0,0]=4 128 B19R3.167539 Cc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100000188529 [0,1,0,0,0,0|3,0,0]=4 129 B19R3.167539 Cc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100011215156_100025796157 [0,1,0,0,0,0|1,0,2]=4 130 B19R3.167539 Cc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100011215156 [0,1,0,0,0,0|1,0,2]=4 131 B19R3.167539 Clc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100011204464 [0,1,0,0,0,0|3,0,0]=4 132 B19R3.167539 Fc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100011218216 [0,1,0,0,0,0|2,0,1]=4 133 B19R3.167539 Fc1ccc(c2c1cccc2)CN3CCCC3 2230a_100000188435_100011988723 [0,1,0,0,0,0|3,0,0]=4 134 B19R3.167539 Fc1ccc(c2c1cccc2)CN3CCCC3 269982a_100000188435_100011988723 [0,1,0,0,0,0|3,0,0]=4 135 B19R3.167539 Fc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100011934225 [0,1,0,0,0,0|3,0,0]=4 136 B19R3.167539 Fc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100011218216_100025796157 [0,1,0,0,0,0|1,0,2]=4 137 B19R3.167539 Fc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100011218216 [0,1,0,0,0,0|1,0,2]=4 138 B19R3.167539 Nc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100000766797 [0,1,0,0,0,0|2,0,1]=4 139 B19R3.167539 Nc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100000766797_100025796157 [0,1,0,0,0,0|1,0,2]=4 140 B19R3.167539 Oc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100000186334 [0,1,0,0,0,0|2,0,1]=4 141 B19R3.167539 Oc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100000186334 [0,1,0,0,0,0|1,0,2]=4 142 B19R3.2990775 Brc1cccc2c1c(ccc2)C=C3CCCC3 271570a_100010378317_100010243825 [0,1,0,0,0,0|2,0,1]=4 143 B19R3.2990775 Brc1cccc2c1c(ccc2)CN3CCCC3 26a_100000188435_100010089961 [0,1,0,0,0,0|3,0,0]=4 144 B19R3.2990775 Brc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100010243825_100025796157 [0,1,0,0,0,0|1,0,2]=4 145 B19R3.2990775 Brc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100025796157_100010243825 [0,1,0,0,0,0|1,0,2]=4 146 B19R3.2990775 Cc1cccc2c1c(ccc2)C=C3CCCC3 271570a_100010378317_100009995290 [0,1,0,0,0,0|2,0,1]=4 147 B19R3.2990775 Cc1cccc2c1c(ccc2)CN3CCCC3 270004a_100000188435_100009842862 [0,1,0,0,0,0|3,0,0]=4 148 B19R3.2990775 Cc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100025796157_100009995290 [0,1,0,0,0,0|1,0,2]=4 149 B19R3.2990775 Clc1cccc2c1c(ccc2)CN3CCCC3 270004a_100000188435_100009850064 [0,1,0,0,0,0|3,0,0]=4 150 B19R3.2990775 Fc1cccc2c1c(ccc2)C=C3CCCC3 271570a_100010378317_100010177852 [0,1,0,0,0,0|2,0,1]=4 151 B19R3.2990775 Fc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100010177852_100025796157 [0,1,0,0,0,0|1,0,2]=4 152 B19R3.2990775 Fc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100025796157_100010177852 [0,1,0,0,0,0|1,0,2]=4 153 B19R3.2990775 Nc1cccc2c1c(ccc2)C=C3CCCC3 271570a_100010378317_100010002837 [0,1,0,0,0,0|2,0,1]=4 154 B19R3.2990775 Nc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100010002837_100025796157 [0,1,0,0,0,0|1,0,2]=4 155 B19R3.2990775 Oc1cccc2c1c(ccc2)C=C3CCCC3 271570a_100010378317_100010089961 [0,1,0,0,0,0|2,0,1]=4 156 B19R3.2990775 Oc1cccc2c1c(ccc2)Sc3ncc[nH]3 62a_100025796157_100010089961 [0,1,0,0,0,0|1,0,2]=4 157 B17R2.2192 C=CCN(CC1=NCCN1)c2ccccc2 269982a_100000211662_100000737910 [0,0,1,0,0,0|1,0,1]=3 158 B17R2.2192 C=CCN(CC1=NCCN1)c2ccccc2 34a_100000211662_100000737910 [0,0,1,0,0,0|1,0,1]=3 159 B17R2.2383 C(=C/c1ccccc1)\CNCC2=NCCN2 34a_100020603302_100000737910 [0,0,1,0,0,0|1,0,1]=3 160 B17R2.2383 C(=C/c1ccccc1)\COCC2=NCCN2 34a_100000210256_100000737910 [0,0,1,0,0,0|1,0,1]=3 161 B17R2.2383 C(=C/c1ccccc1)\CSCC2=NCCN2 62a_100000737910_100016265936 [0,0,1,0,0,0|1,0,1]=3 162 B17R2.2383 C(=C/c1ccccc1)\CSCC2=NCCN2 62a_100016265936_100000737910 [0,0,1,0,0,0|1,0,1]=3 163 B17R2.2383 C(=C/c1cccnc1)\COCC2=NCCN2 34a_200102594124_100000737910 [0,0,1,0,0,0|2,0,1]=4 164 B17R2.2749 C=Cc1ccccc1C(=O)Cc2nnn[nH]2 1458a_100011830265_100000765167 [0,0,1,0,0,0|3,0,0]=4 165 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 34a_200000189419_100000737910 [0,0,1,0,0,0|1,0,1]=3 166 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 7a_200000189419_100000737910 [0,0,1,0,0,0|1,0,1]=3 167 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [0,0,1,0,0,0|1,0,1]=3 168 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 34a_100000211836_100000737910 [0,0,1,0,0,0|1,0,1]=3 169 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 7a_100000211836_100000737910 [0,0,1,0,0,0|1,0,1]=3 170 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100000737910_100009828059 [0,0,1,0,0,0|1,0,1]=3 171 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100009828059_100000737910 [0,0,1,0,0,0|1,0,1]=3 172 B17R2.4343 O=CNc1ccccc1SCC2=NCCN2 62a_100000737910_200020615051 [0,0,1,0,0,0|3,0,0]=4 173 B17R2.4343 O=CNc1ccccc1SCC2=NCCN2 62a_200020615051_100000737910 [0,0,1,0,0,0|3,0,0]=4 174 B17R2.148072 BrCCCOCc1cccc2c1cccc2 34a_100011217188_100011261445 [0,0,1,0,0,0|3,0,0]=4 175 B17R2.148072 BrCCOCCc1cccc2c1cccc2 34a_100000211926_100011290781 [0,0,1,0,0,0|2,0,1]=4 176 B17R2.148072 C#CCNCCc1cccc2c1cccc2 2230a_100000751862_100000038162 [0,0,1,0,0,0|1,0,2]=4 177 B17R2.148072 C#CCNCCc1cccc2c1cccc2 34a_100000212058_100011290781 [0,0,1,0,0,0|1,0,2]=4 178 B17R2.148072 C#CCNCCc1cccc2c1cccc2 34a_100000751862_100000184674 [0,0,1,0,0,0|1,0,2]=4 179 B17R2.148072 C=CCNCCc1cccc2c1cccc2 2230a_100000751862_100000210623 [0,0,1,0,0,0|1,0,2]=4 180 B17R2.148072 C=CCNCCc1cccc2c1cccc2 2230a_100020586998_100011290781 [0,0,1,0,0,0|1,0,2]=4 181 B17R2.148072 C=CCNCCc1cccc2c1cccc2 34a_100000751862_100015514636 [0,0,1,0,0,0|1,0,2]=4 182 B17R2.148072 CCC=NNCc1cccc2c1cccc2 4a_100025742020_100000210100 [0,0,1,0,0,0|2,0,1]=4 183 B17R2.148072 CCCCC=Cc1cccc2c1cccc2 271570a_100016275911_100000210605 [0,0,1,0,0,0|2,0,1]=4 184 B17R2.148072 CCCCNCc1cccc2c1cccc2 207a_100000102301_100000210074 [0,0,1,0,0,0|3,0,0]=4 185 B17R2.148072 CCCCNCc1cccc2c1cccc2 2230a_100000102301_100011261445 [0,0,1,0,0,0|3,0,0]=4 186 B17R2.148072 CCCCNCc1cccc2c1cccc2 270004a_100000102301_100000210074 [0,0,1,0,0,0|3,0,0]=4 187 B17R2.148072 CCCCNCc1cccc2c1cccc2 34a_100000753325_100000210210 [0,0,1,0,0,0|3,0,0]=4 188 B17R2.148072 CCCCNCc1cccc2c1cccc2 7a_106832991798_100011261445 [0,0,1,0,0,0|3,0,0]=4 189 B17R2.148072 CCCCOCc1cccc2c1cccc2 34a_100000210227_100011261445 [0,0,1,0,0,0|3,0,0]=4 190 B17R2.148072 CCCCOCc1cccc2c1cccc2 34a_100011216843_100000210210 [0,0,1,0,0,0|3,0,0]=4 191 B17R2.148072 CCCCOCc1cccc2c1cccc2 7a_100000210227_100011261445 [0,0,1,0,0,0|3,0,0]=4 192 B17R2.148072 CCCCOCc1cccc2c1cccc2 7a_100011216843_100000210211 [0,0,1,0,0,0|3,0,0]=4 193 B17R2.148072 CCCCSCc1cccc2c1cccc2 62a_100000210211_100000188474 [0,0,1,0,0,0|3,0,0]=4 194 B17R2.148072 CCCCSCc1cccc2c1cccc2 62a_100011261445_100000210210 [0,0,1,0,0,0|3,0,0]=4 195 B17R2.148072 CCCNCCc1cccc2c1cccc2 2230a_100000751862_100000210303 [0,0,1,0,0,0|1,0,1]=3 196 B17R2.148072 CCCNCCc1cccc2c1cccc2 34a_100000751862_100000210303 [0,0,1,0,0,0|1,0,1]=3 197 B17R2.148072 CCCNN=Cc1cccc2c1cccc2 4a_100000740057_100000210074 [0,0,1,0,0,0|2,0,1]=4 198 B17R2.148072 CCCOCCc1cccc2c1cccc2 34a_100000210258_100011290781 [0,0,1,0,0,0|2,0,1]=4 199 B17R2.148072 CCCOCCc1cccc2c1cccc2 34a_100011219628_100000210303 [0,0,1,0,0,0|2,0,1]=4 200 B17R2.148072 CCCOCCc1cccc2c1cccc2 7a_100011219628_100000210303 [0,0,1,0,0,0|2,0,1]=4 201 B17R2.148072 CCCSCCc1cccc2c1cccc2 62a_100000210303_100011290781 [0,0,1,0,0,0|2,0,1]=4 202 B17R2.148072 CCCSCCc1cccc2c1cccc2 62a_100011290781_100000210303 [0,0,1,0,0,0|2,0,1]=4 203 B17R2.148072 COCNCCc1cccc2c1cccc2 2230a_100000751862_100000766300 [0,0,1,0,0,0|2,0,1]=4 204 B17R2.148072 CSCNCCc1cccc2c1cccc2 2230a_100000751862_100011218213 [0,0,1,0,0,0|2,0,1]=4 205 B17R2.148072 CSCNCCc1cccc2c1cccc2 34a_100000751862_100011218213 [0,0,1,0,0,0|2,0,1]=4 206 B17R2.148072 ClCCCOCc1cccc2c1cccc2 34a_100000230001_100011261445 [0,0,1,0,0,0|3,0,0]=4 207 B17R2.148072 FCCCNCc1cccc2c1cccc2 207a_100015189416_100000210074 [0,0,1,0,0,0|3,0,0]=4 208 B17R2.148072 FCCCNCc1cccc2c1cccc2 2230a_100015189416_100011261445 [0,0,1,0,0,0|3,0,0]=4 209 B17R2.148072 FCCCNCc1cccc2c1cccc2 270004a_100015189416_100000210074 [0,0,1,0,0,0|3,0,0]=4 210 B17R2.148072 FCCCNCc1cccc2c1cccc2 34a_100000753325_100011934791 [0,0,1,0,0,0|3,0,0]=4 211 B17R2.148072 FCCCNCc1cccc2c1cccc2 34a_100015189416_100011261445 [0,0,1,0,0,0|3,0,0]=4 212 B17R2.148072 FCCCOCc1cccc2c1cccc2 34a_100000759539_100011261445 [0,0,1,0,0,0|3,0,0]=4 213 B17R2.148072 FCCCOCc1cccc2c1cccc2 34a_100011216843_100011934791 [0,0,1,0,0,0|3,0,0]=4 214 B17R2.148072 FCCCOCc1cccc2c1cccc2 7a_100011216843_100011934791 [0,0,1,0,0,0|3,0,0]=4 215 B17R2.148072 FCCCSCc1cccc2c1cccc2 62a_100011261445_100011934791 [0,0,1,0,0,0|3,0,0]=4 216 B17R2.148072 FCCCSCc1cccc2c1cccc2 62a_100011934791_100000188474 [0,0,1,0,0,0|3,0,0]=4 217 B17R2.148072 FCCNCCc1cccc2c1cccc2 2230a_100000751862_100011217306 [0,0,1,0,0,0|1,0,1]=3 218 B17R2.148072 FCCNCCc1cccc2c1cccc2 34a_100000724931_100011290781 [0,0,1,0,0,0|1,0,1]=3 219 B17R2.148072 FCCNCCc1cccc2c1cccc2 34a_100000751862_100011217306 [0,0,1,0,0,0|1,0,1]=3 220 B17R2.148072 FCCOCCc1cccc2c1cccc2 34a_100011219628_100011217306 [0,0,1,0,0,0|2,0,1]=4 221 B17R2.148072 FCCOCCc1cccc2c1cccc2 7a_100011219628_100011217306 [0,0,1,0,0,0|2,0,1]=4 222 B17R2.148072 FCCSCCc1cccc2c1cccc2 62a_100011217306_100011290781 [0,0,1,0,0,0|2,0,1]=4 223 B17R2.148072 FCCSCCc1cccc2c1cccc2 62a_100011290781_100011217306 [0,0,1,0,0,0|2,0,1]=4 224 B17R2.148072 N#CCNCCc1cccc2c1cccc2 2230a_100000751862_100011215382 [0,0,1,0,0,0|0,0,3]=4 225 B17R2.148072 NCCCOCc1cccc2c1cccc2 34a_100000182051_100011261445 [0,0,1,0,0,0|2,0,0]=3 226 B17R2.148072 NCCCOCc1cccc2c1ccnc2 34a_100000182051_100016989825 [0,0,1,0,0,0|3,0,0]=4 227 B17R2.148072 NCCCOCc1cccc2c1nccc2 34a_100000182051_100000241032 [0,0,1,0,0,0|3,0,0]=4 228 B17R2.148072 NCCCOCc1ccnc2c1cccc2 34a_100000182051_100015192512 [0,0,1,0,0,0|3,0,0]=4 229 B17R2.148072 NCCCOCc1nccc2c1cccc2 34a_100000182051_100000033776 [0,0,1,0,0,0|3,0,0]=4 230 B17R2.148072 NCCOCCc1cccc2c1cccc2 34a_100000210304_100011290781 [0,0,1,0,0,0|1,0,1]=3 231 B17R2.148072 NOCCOCc1cccc2c1cccc2 34a_100000700252_100011261445 [0,0,1,0,0,0|3,0,0]=4 232 B17R2.148072 O=CCNCCc1cccc2c1cccc2 2230a_100000751862_200015260668 [0,0,1,0,0,0|1,0,2]=4 233 B17R2.148072 O=CCNCCc1cccc2c1cccc2 34a_100000751862_200009817547 [0,0,1,0,0,0|1,0,2]=4 234 B17R2.148072 OCCCNCc1cccc2c1cccc2 207a_100000182051_100000210074 [0,0,1,0,0,0|3,0,0]=4 235 B17R2.148072 OCCCNCc1cccc2c1cccc2 270004a_100000182051_100000210074 [0,0,1,0,0,0|3,0,0]=4 236 B17R2.148072 OCCCNCc1cccc2c1cccc2 34a_100000753325_100000230001 [0,0,1,0,0,0|3,0,0]=4 237 B17R2.148072 OCCCOCc1cccc2c1cccc2 34a_100011216843_100000230001 [0,0,1,0,0,0|3,0,0]=4 238 B17R2.148072 OCCCOCc1cccc2c1cccc2 7a_100011216843_100011215043 [0,0,1,0,0,0|3,0,0]=4 239 B17R2.148072 OCCCSCc1cccc2c1cccc2 62a_100011215043_100000188474 [0,0,1,0,0,0|3,0,0]=4 240 B17R2.148072 OCCCSCc1cccc2c1cccc2 62a_100011261445_100011215043 [0,0,1,0,0,0|3,0,0]=4 241 B17R2.148072 OCCNCCc1cccc2c1cccc2 2230a_100000751862_100000211926 [0,0,1,0,0,0|1,0,1]=3 242 B17R2.148072 OCCNCCc1cccc2c1cccc2 2230a_100016997473_100011290781 [0,0,1,0,0,0|1,0,1]=3 243 B17R2.148072 OCCNCCc1cccc2c1cccc2 34a_100000751862_100000211926 [0,0,1,0,0,0|1,0,1]=3 244 B17R2.148072 OCCNCCc1cccc2c1cccc2 34a_100016990907_100011290781 [0,0,1,0,0,0|1,0,1]=3 245 B17R2.148072 OCCNN=Cc1cccc2c1cccc2 4a_100000210001_100000210074 [0,0,1,0,0,0|2,0,1]=4 246 B17R2.148072 OCCOCCc1cccc2c1cccc2 34a_100011219628_100000211926 [0,0,1,0,0,0|2,0,1]=4 247 B17R2.148072 OCCOCCc1cccc2c1cccc2 7a_100011219628_100000211926 [0,0,1,0,0,0|2,0,1]=4 248 B17R2.148072 OCCSCCc1cccc2c1cccc2 62a_100000211926_100011290781 [0,0,1,0,0,0|2,0,1]=4 249 B17R2.148072 OCCSCCc1cccc2c1cccc2 62a_100011290781_100000211926 [0,0,1,0,0,0|2,0,1]=4 250 B17R2.281293 CCN(CC)Cc1cccc2c1cccc2 2230a_100000724800_100011261445 [0,0,1,0,0,0|3,0,0]=4 251 B17R2.281293 CCN(CC)Cc1cccc2c1cccc2 269956a_100000042499_100000188474 [0,0,1,0,0,0|3,0,0]=4 252 B17R2.281293 CCN(CC)Cc1cccc2c1cccc2 269982a_100000724800_100000188474 [0,0,1,0,0,0|3,0,0]=4 253 B17R2.281293 CCN(CC)Cc1cccc2c1cccc2 270004a_100000724800_100000210074 [0,0,1,0,0,0|3,0,0]=4 254 B17R2.322318 CC#CC(=O)Cc1cccc2c1cccc2 1458a_100000763181_100000188474 [0,0,1,0,0,0|2,0,1]=4 255 B17R2.322318 CC=CC(=O)Cc1cccc2c1cccc2 1458a_100000210699_100000188474 [0,0,1,0,0,0|2,0,1]=4 256 B17R2.322318 CCCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210303 [0,0,1,0,0,0|2,0,0]=3 257 B17R2.322318 CCCC(=O)Cc1cccc2c1cccc2 1458a_100000211992_100000188474 [0,0,1,0,0,0|2,0,0]=3 258 B17R2.322318 CCCC(=O)Cc1cccc2c1ccnc2 1458a_100000211992_100016989825 [0,0,1,0,0,0|3,0,0]=4 259 B17R2.322318 CCCC(=O)Cc1cccc2c1nccc2 1458a_100000211992_100000241032 [0,0,1,0,0,0|3,0,0]=4 260 B17R2.322318 CCCC(=O)Cc1ccnc2c1cccc2 1458a_100000211992_100015192512 [0,0,1,0,0,0|3,0,0]=4 261 B17R2.322318 CCCC(=O)Cc1nccc2c1cccc2 1458a_100000211992_100000033776 [0,0,1,0,0,0|3,0,0]=4 262 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000211992 [0,0,1,0,0,0|3,0,0]=4 263 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000211992 [0,0,1,0,0,0|3,0,0]=4 264 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000211992 [0,0,1,0,0,0|3,0,0]=4 265 B17R2.322318 CCCN(C)Cc1cccc2c1cccc2 2230a_100000741213_100000210303 [0,0,1,0,0,0|3,0,0]=4 266 B17R2.322318 CCCN(C)Cc1cccc2c1cccc2 2230a_100000747261_100011261445 [0,0,1,0,0,0|3,0,0]=4 267 B17R2.322318 CCCN(C)Cc1cccc2c1cccc2 269982a_100000741213_100000210303 [0,0,1,0,0,0|3,0,0]=4 268 B17R2.322318 CCCN(C)Cc1cccc2c1cccc2 269982a_100000747261_100000188474 [0,0,1,0,0,0|3,0,0]=4 269 B17R2.322318 CCCN(C)Cc1cccc2c1cccc2 270004a_100000747261_100000210074 [0,0,1,0,0,0|3,0,0]=4 270 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 11a_100015525214_100000186155 [0,0,1,0,0,0|1,0,0]=2 271 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 240690a_100015525214_100000186155 [0,0,1,0,0,0|1,0,0]=2 272 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 527a_100015525214_100000186155 [0,0,1,0,0,0|1,0,0]=2 273 B17R2.322318 CCNC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100015525214 [0,0,1,0,0,0|2,0,0]=3 274 B17R2.322318 CCNC(=O)Nc1cccc2c1cccn2 2430a_100000183906_100015525214 [0,0,1,0,0,0|3,0,0]=4 275 B17R2.322318 CCNC(=O)Nc1cccc2c1ccnc2 2430a_100000210097_100015525214 [0,0,1,0,0,0|3,0,0]=4 276 B17R2.322318 CCNC(=O)Nc1cccc2c1nccc2 2430a_100000181377_100015525214 [0,0,1,0,0,0|3,0,0]=4 277 B17R2.322318 CCNC(=O)Nc1cccc2c1nccc2 512a_100000181377_100015525214 [0,0,1,0,0,0|3,0,0]=4 278 B17R2.322318 CNNC(=O)Cc1cccc2c1cccc2 22a_100016993582_100000186155 [0,0,1,0,0,0|2,0,0]=3 279 B17R2.322318 COCC(=O)Cc1cccc2c1cccc2 1458a_100000210968_100000188474 [0,0,1,0,0,0|3,0,0]=4 280 B17R2.322318 CSCC(=O)Cc1cccc2c1cccc2 1458a_100000184570_100000188474 [0,0,1,0,0,0|3,0,0]=4 281 B17R2.322318 O=C(CCF)Cc1cccc2c1cccc2 1458a_100000186155_100011217306 [0,0,1,0,0,0|3,0,0]=4 282 B17R2.322318 O=C(CCO)Cc1cccc2c1cccc2 1458a_100000186155_100000211926 [0,0,1,0,0,0|3,0,0]=4 283 B17R2.322318 O=C(CCO)Cc1cccc2c1cccc2 1458a_100011216618_100000188474 [0,0,1,0,0,0|3,0,0]=4 284 B17R3.1968 c1cc(c2ccncc2c1)CN3CCC3 269982a_100000754969_100016989825 [0,0,0,0,1,0|3,0,0]=4 285 B17R3.1968 c1ccc2c(cccc2c1)CN3CCC3 269982a_100000754969_100000188474 [0,0,0,0,1,0|2,0,0]=3 286 B17R3.1968 c1ccc2c(cccc2c1)NC3CCC3 34a_100000185869_100000749161 [0,0,0,0,1,0|2,0,1]=4 287 B17R3.1968 c1ccc2c(cccc2c1)OC3CCC3 34a_100000210388_100000749161 [0,0,0,0,1,0|2,0,1]=4 288 B17R3.1968 c1ccc2c(ccnc2c1)CN3CCC3 269982a_100000754969_100015192512 [0,0,0,0,1,0|3,0,0]=4 289 B17R3.1968 c1cnc2c(cccc2c1)CN3CCC3 269982a_100000754969_100000241032 [0,0,0,0,1,0|3,0,0]=4 290 B17R3.2679 C1=C(CCC1)c2cccc3c2cccc3 271570a_100000089523_100000210605 [0,0,0,0,1,0|2,0,0]=3 291 B17R3.2679 C1=C(CCC1)c2cccc3c2cccn3 271570a_100000089523_100011290932 [0,0,0,0,1,0|3,0,0]=4 292 B17R3.2679 C1=C(CCC1)c2cccc3c2ccnc3 271570a_100000089523_100000186358 [0,0,0,0,1,0|3,0,0]=4 293 B17R3.2679 C1=C(CCC1)c2cccc3c2cncc3 271570a_100000089523_100000685578 [0,0,0,0,1,0|3,0,0]=4 294 B17R3.2679 C1=C(CCC1)c2cccc3c2nccc3 271570a_100000089523_100011215545 [0,0,0,0,1,0|3,0,0]=4 295 B17R3.2679 C1=C(CCC1)c2ccnc3c2cccc3 271570a_100000089523_100011215880 [0,0,0,0,1,0|3,0,0]=4 296 B17R3.2679 C1=C(CCC1)c2cncc3c2cccc3 271570a_100000089523_100000187577 [0,0,0,0,1,0|3,0,0]=4 297 B17R3.2679 C1=C(CCC1)c2nccc3c2cccc3 271570a_100000089523_100011934041 [0,0,0,0,1,0|3,0,0]=4 298 B17R3.2679 C1=C(CCO1)c2cccc3c2cccc3 271570a_100000118173_100000210605 [0,0,0,0,1,0|3,0,0]=4 299 B17R3.2679 C1=C(COC1)c2cccc3c2cccc3 271570a_100009872500_100000210605 [0,0,0,0,1,0|3,0,0]=4 300 B17R3.2679 c1cc(c2cccnc2c1)c3ncc[nH]3 271570a_100012617998_100025796157 [0,0,0,0,1,0|1,0,2]=4 301 B17R3.2679 c1cc(c2cccnc2c1)c3ncc[nH]3 271570a_100016988920_100011290932 [0,0,0,0,1,0|1,0,2]=4 302 B17R3.2679 c1cc(c2ccncc2c1)c3ncc[nH]3 271570a_100011345432_100025796157 [0,0,0,0,1,0|1,0,2]=4 303 B17R3.2679 c1cc(c2ccncc2c1)c3ncc[nH]3 271570a_100016988920_100000186358 [0,0,0,0,1,0|1,0,2]=4 304 B17R3.2679 c1cc(c2cnccc2c1)c3ncc[nH]3 271570a_100012360459_100025796157 [0,0,0,0,1,0|1,0,2]=4 305 B17R3.2679 c1cc(c2cnccc2c1)c3ncc[nH]3 271570a_100016988920_100000685578 [0,0,0,0,1,0|1,0,2]=4 306 B17R3.2679 c1ccc2c(cccc2c1)c3c[nH]cn3 271570a_100000693802_100000756875 [0,0,0,0,1,0|2,0,1]=4 307 B17R3.2679 c1ccc2c(cccc2c1)c3cc[nH]n3 271570a_100000062414_100000210605 [0,0,0,0,1,0|2,0,1]=4 308 B17R3.2679 c1ccc2c(cccc2c1)c3cc[nH]n3 271570a_100000693802_100000062575 [0,0,0,0,1,0|2,0,1]=4 309 B17R3.2679 c1ccc2c(cccc2c1)c3ccsn3 271570a_100000693802_100009818082 [0,0,0,0,1,0|2,0,1]=4 310 B17R3.2679 c1ccc2c(cccc2c1)c3cscn3 271570a_100000693802_100000751502 [0,0,0,0,1,0|2,0,1]=4 311 B17R3.2679 c1ccc2c(cccc2c1)c3nc[nH]n3 271570a_100000693802_100000761765 [0,0,0,0,1,0|1,0,2]=4 312 B17R3.2679 c1ccc2c(cccc2c1)c3ncc[nH]3 271570a_100000693802_100025796157 [0,0,0,0,1,0|0,0,2]=3 313 B17R3.2679 c1ccc2c(cccc2c1)c3ncc[nH]3 271570a_100016988920_100000210605 [0,0,0,0,1,0|0,0,2]=3 314 B17R3.2679 c1ccc2c(cccc2c1)c3ncco3 271570a_100000693802_100011787736 [0,0,0,0,1,0|1,0,2]=4 315 B17R3.2679 c1ccc2c(cccc2c1)c3nccs3 271570a_100000693802_100000211983 [0,0,0,0,1,0|1,0,2]=4 316 B17R3.2679 c1ccc2c(cccc2c1)c3ncns3 271570a_100000693802_100000693119 [0,0,0,0,1,0|2,0,1]=4 317 B17R3.2679 c1ccc2c(cccc2c1)c3nncs3 271570a_100000693802_100000739804 [0,0,0,0,1,0|2,0,1]=4 318 B17R3.2679 c1ccc2c(ccnc2c1)c3ncc[nH]3 271570a_100010158573_100025796157 [0,0,0,0,1,0|1,0,2]=4 319 B17R3.2679 c1ccc2c(ccnc2c1)c3ncc[nH]3 271570a_100016988920_100011215880 [0,0,0,0,1,0|1,0,2]=4 320 B17R3.2679 c1ccc2c(cncc2c1)c3ncc[nH]3 271570a_100012350599_100025796157 [0,0,0,0,1,0|1,0,2]=4 321 B17R3.2679 c1ccc2c(cncc2c1)c3ncc[nH]3 271570a_100016988920_100000187577 [0,0,0,0,1,0|1,0,2]=4 322 B17R3.2679 c1ccc2c(nccc2c1)c3ncc[nH]3 271570a_100016988920_100011934041 [0,0,0,0,1,0|1,0,2]=4 323 B17R3.2679 c1cnc2c(cccc2c1)c3ncc[nH]3 271570a_100011217423_100025796157 [0,0,0,0,1,0|1,0,2]=4 324 B17R3.2679 c1cnc2c(cccc2c1)c3ncc[nH]3 271570a_100016988920_100011215545 [0,0,0,0,1,0|1,0,2]=4 325 B19R3.28 c1ccc2c(cccc2c1)CN3CCCOC3 2230a_100000131196_100011261445 [0,0,0,0,0,1|3,0,0]=4 326 B19R3.28 c1ccc2c(cccc2c1)CN3CCCOC3 269982a_100000131196_100000188474 [0,0,0,0,0,1|3,0,0]=4 327 B19R3.28 c1ccc2c(cccc2c1)CN3CCCOC3 270004a_100000131196_100000210074 [0,0,0,0,0,1|3,0,0]=4 328 B19R3.28 c1ccc2c(cccc2c1)CN3CCCOC3 34a_100000131196_100011261445 [0,0,0,0,0,1|3,0,0]=4 329 B19R3.28 c1ccc2c(cccc2c1)CN3CCOCC3 2230a_100015191051_100011261445 [0,0,0,0,0,1|3,0,0]=4 330 B19R3.28 c1ccc2c(cccc2c1)CN3CCOCC3 269982a_100015191051_100000188474 [0,0,0,0,0,1|3,0,0]=4 331 B19R3.28 c1ccc2c(cccc2c1)CN3CCOCC3 270004a_100015191051_100000210074 [0,0,0,0,0,1|3,0,0]=4 332 B19R3.28 c1ccc2c(cccc2c1)CN3CCOCC3 34a_100015191051_100011261445 [0,0,0,0,0,1|3,0,0]=4 333 B19R3.28 c1ccc2c(cccc2c1)CN3CCSCC3 2230a_100000737611_100011261445 [0,0,0,0,0,1|3,0,0]=4 334 B19R3.28 c1ccc2c(cccc2c1)CN3CCSCC3 269982a_100000737611_100000188474 [0,0,0,0,0,1|3,0,0]=4 335 B19R3.28 c1ccc2c(cccc2c1)CN3CCSCC3 270004a_100000737611_100000210074 [0,0,0,0,0,1|3,0,0]=4 336 B19R3.4444 C1=CCc2c(cccc2OCC3=NCCN3)C1 34a_100000074931_100000737910 [0,0,0,0,0,1|0,0,2]=3 337 B19R3.4444 C1=CCc2c(cccc2OCC3=NCCN3)C1 7a_100000074931_100000737910 [0,0,0,0,0,1|0,0,2]=3 338 B19R3.4444 C1=NCCc2c1cccc2SCC3=NCCN3 62a_100000737910_100010982778 [0,0,0,0,0,1|1,0,2]=4 339 B19R3.4444 C1=NCCc2c1cccc2SCC3=NCCN3 62a_100010982778_100000737910 [0,0,0,0,0,1|1,0,2]=4 340 B19R3.4444 c1cc(c2cccnc2c1)NCC3=NCCN3 34a_100000183906_100000737910 [0,0,0,0,0,1|1,0,0]=2 341 B19R3.4444 c1cc(c2cccnc2c1)NCc3ncc[nH]3 207a_100000183906_100000743867 [0,0,0,0,0,1|1,0,2]=4 342 B19R3.4444 c1cc(c2cccnc2c1)NCc3ncc[nH]3 27a_100000754540_100011290932 [0,0,0,0,0,1|1,0,2]=4 343 B19R3.4444 c1cc(c2cccnc2c1)NCc3ncc[nH]3 34a_100000183906_100016991755 [0,0,0,0,0,1|1,0,2]=4 344 B19R3.4444 c1cc(c2cccnc2c1)NCc3nnc[nH]3 27a_200015183720_100011290932 [0,0,0,0,0,1|2,0,1]=4 345 B19R3.4444 c1cc(c2cccnc2c1)NCc3nnn[nH]3 27a_100000739814_100011290932 [0,0,0,0,0,1|3,0,0]=4 346 B19R3.4444 c1cc(c2cccnc2c1)NCc3nnn[nH]3 34a_100000183906_100000765167 [0,0,0,0,0,1|3,0,0]=4 347 B19R3.4444 c1cc(c2cccnc2c1)OCC3=NCCN3 34a_100011197808_100000737910 [0,0,0,0,0,1|1,0,0]=2 348 B19R3.4444 c1cc(c2cccnc2c1)OCc3ncc[nH]3 34a_100011197808_100016991755 [0,0,0,0,0,1|1,0,2]=4 349 B19R3.4444 c1cc(c2cccnc2c1)OCc3nnn[nH]3 34a_100011197808_100000765167 [0,0,0,0,0,1|3,0,0]=4 350 B19R3.4444 c1cc(c2cccnc2c1)SCC3=NCCN3 62a_100000737910_100011290932 [0,0,0,0,0,1|1,0,0]=2 351 B19R3.4444 c1cc(c2cccnc2c1)SCC3=NCCN3 62a_100011290932_100000737910 [0,0,0,0,0,1|1,0,0]=2 352 B19R3.4444 c1cc(c2cccnc2c1)SCc3ncc[nH]3 62a_100011290932_100016991755 [0,0,0,0,0,1|1,0,2]=4 353 B19R3.4444 c1cc(c2cccnc2c1)SCc3ncc[nH]3 62a_100016991755_100011290932 [0,0,0,0,0,1|1,0,2]=4 354 B19R3.4444 c1cc(c2cccnc2c1)SCc3nnn[nH]3 62a_100000765167_100011290932 [0,0,0,0,0,1|3,0,0]=4 355 B19R3.4444 c1cc(c2cccnc2c1)SCc3nnn[nH]3 62a_100011290932_100000765167 [0,0,0,0,0,1|3,0,0]=4 356 B19R3.4444 c1cc(c2ccncc2c1)CSc3ncc[nH]3 62a_100016989825_100025796157 [0,0,0,0,0,1|1,0,2]=4 357 B19R3.4444 c1cc(c2ccncc2c1)CSc3ncc[nH]3 62a_100025796157_100016989825 [0,0,0,0,0,1|1,0,2]=4 358 B19R3.4444 c1cc(c2ccncc2c1)NCc3ncc[nH]3 207a_100000210097_100000743867 [0,0,0,0,0,1|1,0,2]=4 359 B19R3.4444 c1cc(c2ccncc2c1)OCC3=NCCN3 34a_100011218533_100000737910 [0,0,0,0,0,1|1,0,0]=2 360 B19R3.4444 c1cc(c2ccncc2c1)OCc3ncc[nH]3 34a_100011218533_100016991755 [0,0,0,0,0,1|1,0,2]=4 361 B19R3.4444 c1cc(c2ccncc2c1)OCc3nnn[nH]3 34a_100011218533_100000765167 [0,0,0,0,0,1|3,0,0]=4 362 B19R3.4444 c1cc(c2ccncc2c1)SCC3=NCCN3 62a_100000186358_100000737910 [0,0,0,0,0,1|1,0,0]=2 363 B19R3.4444 c1cc(c2ccncc2c1)SCC3=NCCN3 62a_100000737910_100000186358 [0,0,0,0,0,1|1,0,0]=2 364 B19R3.4444 c1cc(c2ccncc2c1)SCc3ncc[nH]3 62a_100000186358_100016991755 [0,0,0,0,0,1|1,0,2]=4 365 B19R3.4444 c1cc(c2ccncc2c1)SCc3ncc[nH]3 62a_100016991755_100000186358 [0,0,0,0,0,1|1,0,2]=4 366 B19R3.4444 c1cc(c2ccncc2c1)SCc3nnn[nH]3 62a_100000186358_100000765167 [0,0,0,0,0,1|3,0,0]=4 367 B19R3.4444 c1cc(c2ccncc2c1)SCc3nnn[nH]3 62a_100000765167_100000186358 [0,0,0,0,0,1|3,0,0]=4 368 B19R3.4444 c1cc(c2cnccc2c1)NCc3ncc[nH]3 207a_100000065885_100000743867 [0,0,0,0,0,1|1,0,2]=4 369 B19R3.4444 c1cc(c2cnccc2c1)OCC3=NCCN3 34a_103624766955_100000737910 [0,0,0,0,0,1|1,0,0]=2 370 B19R3.4444 c1cc(c2cnccc2c1)OCc3ncc[nH]3 34a_103624766955_100016991755 [0,0,0,0,0,1|1,0,2]=4 371 B19R3.4444 c1cc(c2cnccc2c1)OCc3nnn[nH]3 34a_103624766955_100000765167 [0,0,0,0,0,1|3,0,0]=4 372 B19R3.4444 c1cc(c2cnccc2c1)SCC3=NCCN3 62a_100000685578_100000737910 [0,0,0,0,0,1|1,0,0]=2 373 B19R3.4444 c1cc(c2cnccc2c1)SCC3=NCCN3 62a_100000737910_100000685578 [0,0,0,0,0,1|1,0,0]=2 374 B19R3.4444 c1cc(c2cnccc2c1)SCc3ncc[nH]3 62a_100000685578_100016991755 [0,0,0,0,0,1|1,0,2]=4 375 B19R3.4444 c1cc(c2cnccc2c1)SCc3ncc[nH]3 62a_100016991755_100000685578 [0,0,0,0,0,1|1,0,2]=4 376 B19R3.4444 c1cc(c2cnccc2c1)SCc3nnn[nH]3 62a_100000685578_100000765167 [0,0,0,0,0,1|3,0,0]=4 377 B19R3.4444 c1cc(c2cnccc2c1)SCc3nnn[nH]3 62a_100000765167_100000685578 [0,0,0,0,0,1|3,0,0]=4 378 B19R3.4444 c1cc(c2cncnc2c1)SCC3=NCCN3 62a_100000737910_100009814520 [0,0,0,0,0,1|2,0,0]=3 379 B19R3.4444 c1cc(c2cncnc2c1)SCC3=NCCN3 62a_100009814520_100000737910 [0,0,0,0,0,1|2,0,0]=3 380 B19R3.4444 c1cc(c2nccnc2c1)OCC3=NCCN3 34a_100000077048_100000737910 [0,0,0,0,0,1|2,0,0]=3 381 B19R3.4444 c1cc(c2nccnc2c1)SCC3=NCCN3 62a_100000737910_100010003881 [0,0,0,0,0,1|2,0,0]=3 382 B19R3.4444 c1cc(c2nccnc2c1)SCC3=NCCN3 62a_100010003881_100000737910 [0,0,0,0,0,1|2,0,0]=3 383 B19R3.4444 c1cc(c2ncncc2c1)OCC3=NCCN3 34a_200000077003_100000737910 [0,0,0,0,0,1|2,0,0]=3 384 B19R3.4444 c1cc(c2ncncc2c1)SCC3=NCCN3 62a_100000737910_100010246313 [0,0,0,0,0,1|2,0,0]=3 385 B19R3.4444 c1cc(c2ncncc2c1)SCC3=NCCN3 62a_100010246313_100000737910 [0,0,0,0,0,1|2,0,0]=3 386 B19R3.4444 c1cc2c(cncc2cn1)SCC3=NCCN3 62a_100000737910_100010134378 [0,0,0,0,0,1|2,0,0]=3 387 B19R3.4444 c1cc2c(cncc2cn1)SCC3=NCCN3 62a_100010134378_100000737910 [0,0,0,0,0,1|2,0,0]=3 388 B19R3.4444 c1cc2c(ncnc2cn1)SCC3=NCCN3 62a_100000737910_100000098430 [0,0,0,0,0,1|3,0,0]=4 389 B19R3.4444 c1cc2ccnc(c2cn1)SCC3=NCCN3 62a_100000737910_100000116921 [0,0,0,0,0,1|2,0,0]=3 390 B19R3.4444 c1cc2ccnc(c2cn1)SCC3=NCCN3 62a_200010063730_100000737910 [0,0,0,0,0,1|2,0,0]=3 391 B19R3.4444 c1cc2nccc(c2cn1)SCC3=NCCN3 62a_100000095135_100000737910 [0,0,0,0,0,1|2,0,0]=3 392 B19R3.4444 c1cc2nccc(c2cn1)SCC3=NCCN3 62a_100000737910_100000095135 [0,0,0,0,0,1|2,0,0]=3 393 B19R3.4444 c1cc2nccnc2c(n1)SCC3=NCCN3 62a_100000737910_100010063732 [0,0,0,0,0,1|3,0,0]=4 394 B19R3.4444 c1cc2nccnc2c(n1)SCC3=NCCN3 62a_100010063732_100000737910 [0,0,0,0,0,1|3,0,0]=4 395 B19R3.4444 c1ccc2c(cccc2c1)CCN3CCCC3 2230a_100000188435_100011290781 [0,0,0,0,0,1|3,0,0]=4 396 B19R3.4444 c1ccc2c(cccc2c1)CCN3CCCC3 269982a_100000188435_100011290781 [0,0,0,0,0,1|3,0,0]=4 397 B19R3.4444 c1ccc2c(cccc2c1)CNC3CCCC3 207a_100000211070_100000210074 [0,0,0,0,0,1|2,0,1]=4 398 B19R3.4444 c1ccc2c(cccc2c1)CNC3CCCC3 2230a_100000211070_100011261445 [0,0,0,0,0,1|2,0,1]=4 399 B19R3.4444 c1ccc2c(cccc2c1)CNC3CCCC3 270004a_100000211070_100000210074 [0,0,0,0,0,1|2,0,1]=4 400 B19R3.4444 c1ccc2c(cccc2c1)CNC3CCCC3 270004a_100000753325_100000210133 [0,0,0,0,0,1|2,0,1]=4 401 B19R3.4444 c1ccc2c(cccc2c1)CNC3CCCC3 34a_100000211070_100011261445 [0,0,0,0,0,1|2,0,1]=4 402 B19R3.4444 c1ccc2c(cccc2c1)CNC3CCCC3 34a_100000753325_100000179811 [0,0,0,0,0,1|2,0,1]=4 403 B19R3.4444 c1ccc2c(cccc2c1)CNc3ncns3 27a_100000753325_100000693119 [0,0,0,0,0,1|2,0,1]=4 404 B19R3.4444 c1ccc2c(cccc2c1)CNc3nncs3 27a_100000753325_100000739804 [0,0,0,0,0,1|2,0,1]=4 405 B19R3.4444 c1ccc2c(cccc2c1)COC3CCCC3 34a_100000210269_100011261445 [0,0,0,0,0,1|2,0,1]=4 406 B19R3.4444 c1ccc2c(cccc2c1)COC3CCCC3 34a_100011216843_100000179811 [0,0,0,0,0,1|2,0,1]=4 407 B19R3.4444 c1ccc2c(cccc2c1)COC3CCCC3 7a_100000210269_100011261445 [0,0,0,0,0,1|2,0,1]=4 408 B19R3.4444 c1ccc2c(cccc2c1)COC3CCCC3 7a_100011216843_100000179811 [0,0,0,0,0,1|2,0,1]=4 409 B19R3.4444 c1ccc2c(cccc2c1)COC3CCCO3 34a_100000085407_100011261445 [0,0,0,0,0,1|2,0,1]=4 410 B19R3.4444 c1ccc2c(cccc2c1)CSC3CCCC3 62a_100011217020_100000188474 [0,0,0,0,0,1|2,0,1]=4 411 B19R3.4444 c1ccc2c(cccc2c1)CSC3CCCC3 62a_100011261445_100000179811 [0,0,0,0,0,1|2,0,1]=4 412 B19R3.4444 c1ccc2c(cccc2c1)CSc3c[nH]cn3 62a_100000756875_100000188474 [0,0,0,0,0,1|2,0,1]=4 413 B19R3.4444 c1ccc2c(cccc2c1)CSc3c[nH]cn3 62a_100011261445_100000756875 [0,0,0,0,0,1|2,0,1]=4 414 B19R3.4444 c1ccc2c(cccc2c1)CSc3c[nH]nn3 62a_100009819707_100000188474 [0,0,0,0,0,1|3,0,0]=4 415 B19R3.4444 c1ccc2c(cccc2c1)CSc3c[nH]nn3 62a_100011261445_100009819707 [0,0,0,0,0,1|3,0,0]=4 416 B19R3.4444 c1ccc2c(cccc2c1)CSc3cc[nH]n3 62a_100000062575_100000188474 [0,0,0,0,0,1|2,0,1]=4 417 B19R3.4444 c1ccc2c(cccc2c1)CSc3cc[nH]n3 62a_100011261445_100000062575 [0,0,0,0,0,1|2,0,1]=4 418 B19R3.4444 c1ccc2c(cccc2c1)CSc3ccon3 62a_100009818083_100000188474 [0,0,0,0,0,1|2,0,1]=4 419 B19R3.4444 c1ccc2c(cccc2c1)CSc3ccon3 62a_100011261445_100009818083 [0,0,0,0,0,1|2,0,1]=4 420 B19R3.4444 c1ccc2c(cccc2c1)CSc3ccsn3 62a_100009818082_100000188474 [0,0,0,0,0,1|2,0,1]=4 421 B19R3.4444 c1ccc2c(cccc2c1)CSc3ccsn3 62a_100011261445_100009818082 [0,0,0,0,0,1|2,0,1]=4 422 B19R3.4444 c1ccc2c(cccc2c1)CSc3cscn3 62a_100000751502_100000188474 [0,0,0,0,0,1|2,0,1]=4 423 B19R3.4444 c1ccc2c(cccc2c1)CSc3cscn3 62a_100011261445_100000751502 [0,0,0,0,0,1|2,0,1]=4 424 B19R3.4444 c1ccc2c(cccc2c1)CSc3nc[nH]n3 62a_100000761765_100000188474 [0,0,0,0,0,1|1,0,2]=4 425 B19R3.4444 c1ccc2c(cccc2c1)CSc3nc[nH]n3 62a_100011261445_100000761765 [0,0,0,0,0,1|1,0,2]=4 426 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncc[nH]3 62a_100011261445_100025796157 [0,0,0,0,0,1|0,0,2]=3 427 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncc[nH]3 62a_100025796157_100000188474 [0,0,0,0,0,1|0,0,2]=3 428 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncco3 62a_100011261445_100011787736 [0,0,0,0,0,1|1,0,2]=4 429 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncco3 62a_100011787736_100000188474 [0,0,0,0,0,1|1,0,2]=4 430 B19R3.4444 c1ccc2c(cccc2c1)CSc3nccs3 62a_100000211983_100000188474 [0,0,0,0,0,1|1,0,2]=4 431 B19R3.4444 c1ccc2c(cccc2c1)CSc3nccs3 62a_100011261445_100000211983 [0,0,0,0,0,1|1,0,2]=4 432 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncns3 62a_100000693119_100000188474 [0,0,0,0,0,1|2,0,1]=4 433 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncns3 62a_100011261445_100000693119 [0,0,0,0,0,1|2,0,1]=4 434 B19R3.4444 c1ccc2c(cccc2c1)CSc3nncs3 62a_100000739804_100000188474 [0,0,0,0,0,1|2,0,1]=4 435 B19R3.4444 c1ccc2c(cccc2c1)CSc3nncs3 62a_100011261445_100000739804 [0,0,0,0,0,1|2,0,1]=4 436 B19R3.4444 c1ccc2c(cccc2c1)NCC3=NCCN3 34a_100000185869_100000737910 [0,0,0,0,0,1|0,0,0]=1 437 B19R3.4444 c1ccc2c(cccc2c1)NCC3CCCC3 34a_100000185869_100000740388 [0,0,0,0,0,1|2,0,1]=4 438 B19R3.4444 c1ccc2c(cccc2c1)NCC3OCCO3 34a_100000185869_100000755774 [0,0,0,0,0,1|2,0,1]=4 439 B19R3.4444 c1ccc2c(cccc2c1)NCc3c[nH]cn3 34a_100000185869_100000707719 [0,0,0,0,0,1|2,0,1]=4 440 B19R3.4444 c1ccc2c(cccc2c1)NCc3cc[nH]n3 207a_100000185869_100000738523 [0,0,0,0,0,1|2,0,1]=4 441 B19R3.4444 c1ccc2c(cccc2c1)NCc3ccn[nH]3 34a_100000185869_100000728653 [0,0,0,0,0,1|2,0,1]=4 442 B19R3.4444 c1ccc2c(cccc2c1)NCc3ccon3 34a_100000185869_100000234950 [0,0,0,0,0,1|2,0,1]=4 443 B19R3.4444 c1ccc2c(cccc2c1)NCc3cnc[nH]3 207a_100000185869_100000742939 [0,0,0,0,0,1|2,0,1]=4 444 B19R3.4444 c1ccc2c(cccc2c1)NCc3cscn3 207a_100000185869_100000743575 [0,0,0,0,0,1|2,0,1]=4 445 B19R3.4444 c1ccc2c(cccc2c1)NCc3cscn3 34a_100000185869_100000205941 [0,0,0,0,0,1|2,0,1]=4 446 B19R3.4444 c1ccc2c(cccc2c1)NCc3ncc[nH]3 207a_100000185869_100000743867 [0,0,0,0,0,1|0,0,2]=3 447 B19R3.4444 c1ccc2c(cccc2c1)NCc3ncc[nH]3 34a_100000185869_100016991755 [0,0,0,0,0,1|0,0,2]=3 448 B19R3.4444 c1ccc2c(cccc2c1)NCc3ncco3 34a_100000185869_103436540062 [0,0,0,0,0,1|1,0,2]=4 449 B19R3.4444 c1ccc2c(cccc2c1)NCc3nccs3 207a_100000185869_100000750902 [0,0,0,0,0,1|1,0,2]=4 450 B19R3.4444 c1ccc2c(cccc2c1)NCc3nccs3 34a_100000185869_100015184050 [0,0,0,0,0,1|1,0,2]=4 451 B19R3.4444 c1ccc2c(cccc2c1)NCc3ncon3 34a_100000185869_100000233494 [0,0,0,0,0,1|1,0,2]=4 452 B19R3.4444 c1ccc2c(cccc2c1)NCc3nnn[nH]3 34a_100000185869_100000765167 [0,0,0,0,0,1|2,0,0]=3 453 B19R3.4444 c1ccc2c(cccc2c1)NN=C3CCCC3 4a_100000006939_100000210133 [0,0,0,0,0,1|3,0,0]=4 454 B19R3.4444 c1ccc2c(cccc2c1)OCC3=NCCN3 34a_100000210388_100000737910 [0,0,0,0,0,1|0,0,0]=1 455 B19R3.4444 c1ccc2c(cccc2c1)OCC3=NCCN3 7a_100000210388_100000737910 [0,0,0,0,0,1|0,0,0]=1 456 B19R3.4444 c1ccc2c(cccc2c1)OCC3CCCC3 34a_100000210388_100000740388 [0,0,0,0,0,1|2,0,1]=4 457 B19R3.4444 c1ccc2c(cccc2c1)OCC3CCCC3 7a_100000210388_100000740388 [0,0,0,0,0,1|2,0,1]=4 458 B19R3.4444 c1ccc2c(cccc2c1)OCC3CCCO3 7a_100000210388_100000203698 [0,0,0,0,0,1|2,0,1]=4 459 B19R3.4444 c1ccc2c(cccc2c1)OCC3OCCO3 34a_100000210388_100000755774 [0,0,0,0,0,1|2,0,1]=4 460 B19R3.4444 c1ccc2c(cccc2c1)OCC3OCCO3 7a_100000210388_100000755774 [0,0,0,0,0,1|2,0,1]=4 461 B19R3.4444 c1ccc2c(cccc2c1)OCc3c[nH]cn3 34a_100000210388_100000707719 [0,0,0,0,0,1|2,0,1]=4 462 B19R3.4444 c1ccc2c(cccc2c1)OCc3ccn[nH]3 34a_100000210388_100000728653 [0,0,0,0,0,1|2,0,1]=4 463 B19R3.4444 c1ccc2c(cccc2c1)OCc3ccn[nH]3 7a_100000210388_100000728653 [0,0,0,0,0,1|2,0,1]=4 464 B19R3.4444 c1ccc2c(cccc2c1)OCc3ccon3 34a_100000210388_100000234950 [0,0,0,0,0,1|2,0,1]=4 465 B19R3.4444 c1ccc2c(cccc2c1)OCc3ccon3 7a_100000210388_100000234950 [0,0,0,0,0,1|2,0,1]=4 466 B19R3.4444 c1ccc2c(cccc2c1)OCc3cscn3 34a_100000210388_100000205941 [0,0,0,0,0,1|2,0,1]=4 467 B19R3.4444 c1ccc2c(cccc2c1)OCc3cscn3 7a_100000210388_100000205941 [0,0,0,0,0,1|2,0,1]=4 468 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncc[nH]3 34a_100000210388_100016991755 [0,0,0,0,0,1|0,0,2]=3 469 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncc[nH]3 7a_100000210388_100000753453 [0,0,0,0,0,1|0,0,2]=3 470 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncco3 34a_100000210388_103436540062 [0,0,0,0,0,1|1,0,2]=4 471 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncco3 7a_100000210388_103436540062 [0,0,0,0,0,1|1,0,2]=4 472 B19R3.4444 c1ccc2c(cccc2c1)OCc3nccs3 34a_100000210388_100015184050 [0,0,0,0,0,1|1,0,2]=4 473 B19R3.4444 c1ccc2c(cccc2c1)OCc3nccs3 7a_100000210388_100015184050 [0,0,0,0,0,1|1,0,2]=4 474 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncon3 34a_100000210388_100000233494 [0,0,0,0,0,1|1,0,2]=4 475 B19R3.4444 c1ccc2c(cccc2c1)OCc3nnn[nH]3 34a_100000210388_100000765167 [0,0,0,0,0,1|2,0,0]=3 476 B19R3.4444 c1ccc2c(cccc2c1)OCc3nnn[nH]3 7a_100000210388_100000765167 [0,0,0,0,0,1|2,0,0]=3 477 B19R3.4444 c1ccc2c(cccc2c1)SCC3=NCCN3 62a_100000737910_100000210605 [0,0,0,0,0,1|0,0,0]=1 478 B19R3.4444 c1ccc2c(cccc2c1)SCC3CCCC3 62a_100000740388_100000210605 [0,0,0,0,0,1|2,0,1]=4 479 B19R3.4444 c1ccc2c(cccc2c1)SCC3CCCO3 62a_100000203698_100000210605 [0,0,0,0,0,1|2,0,1]=4 480 B19R3.4444 c1ccc2c(cccc2c1)SCC3OCCO3 62a_100000755774_100000210605 [0,0,0,0,0,1|2,0,1]=4 481 B19R3.4444 c1ccc2c(cccc2c1)SCc3c[nH]cn3 62a_100000707719_100000210605 [0,0,0,0,0,1|2,0,1]=4 482 B19R3.4444 c1ccc2c(cccc2c1)SCc3ccn[nH]3 62a_100000728653_100000210605 [0,0,0,0,0,1|2,0,1]=4 483 B19R3.4444 c1ccc2c(cccc2c1)SCc3ccon3 62a_100000234950_100000210605 [0,0,0,0,0,1|2,0,1]=4 484 B19R3.4444 c1ccc2c(cccc2c1)SCc3cscn3 62a_100000205941_100000210605 [0,0,0,0,0,1|2,0,1]=4 485 B19R3.4444 c1ccc2c(cccc2c1)SCc3ncc[nH]3 62a_100016991755_100000210605 [0,0,0,0,0,1|0,0,2]=3 486 B19R3.4444 c1ccc2c(cccc2c1)SCc3ncco3 62a_103436540062_100000210605 [0,0,0,0,0,1|1,0,2]=4 487 B19R3.4444 c1ccc2c(cccc2c1)SCc3nccs3 62a_100015184050_100000210605 [0,0,0,0,0,1|1,0,2]=4 488 B19R3.4444 c1ccc2c(cccc2c1)SCc3ncon3 62a_100000233494_100000210605 [0,0,0,0,0,1|1,0,2]=4 489 B19R3.4444 c1ccc2c(cccc2c1)SCc3nnn[nH]3 62a_100000765167_100000210605 [0,0,0,0,0,1|2,0,0]=3 490 B19R3.4444 c1ccc2c(ccnc2c1)CSc3ncc[nH]3 62a_100015192512_100025796157 [0,0,0,0,0,1|1,0,2]=4 491 B19R3.4444 c1ccc2c(ccnc2c1)CSc3ncc[nH]3 62a_100025796157_100015192512 [0,0,0,0,0,1|1,0,2]=4 492 B19R3.4444 c1ccc2c(ccnc2c1)NCc3ncc[nH]3 27a_100000754540_100011215880 [0,0,0,0,0,1|1,0,2]=4 493 B19R3.4444 c1ccc2c(ccnc2c1)NCc3nnc[nH]3 27a_200015183720_100011215880 [0,0,0,0,0,1|2,0,1]=4 494 B19R3.4444 c1ccc2c(ccnc2c1)NCc3nnn[nH]3 27a_100000739814_100011215880 [0,0,0,0,0,1|3,0,0]=4 495 B19R3.4444 c1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100000737910_100011215880 [0,0,0,0,0,1|1,0,0]=2 496 B19R3.4444 c1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100011458314_100000737910 [0,0,0,0,0,1|1,0,0]=2 497 B19R3.4444 c1ccc2c(ccnc2c1)SCc3ncc[nH]3 62a_100011458314_100016991755 [0,0,0,0,0,1|1,0,2]=4 498 B19R3.4444 c1ccc2c(ccnc2c1)SCc3ncc[nH]3 62a_100016991755_100011215880 [0,0,0,0,0,1|1,0,2]=4 499 B19R3.4444 c1ccc2c(ccnc2c1)SCc3nnn[nH]3 62a_100000765167_100011215880 [0,0,0,0,0,1|3,0,0]=4 500 B19R3.4444 c1ccc2c(ccnc2c1)SCc3nnn[nH]3 62a_100011458314_100000765167 [0,0,0,0,0,1|3,0,0]=4 501 B19R3.4444 c1ccc2c(cncc2c1)OCC3=NCCN3 34a_100000066178_100000737910 [0,0,0,0,0,1|1,0,0]=2 502 B19R3.4444 c1ccc2c(cncc2c1)OCC3=NCCN3 7a_100000066178_100000737910 [0,0,0,0,0,1|1,0,0]=2 503 B19R3.4444 c1ccc2c(cncc2c1)OCc3ncc[nH]3 34a_100000066178_100016991755 [0,0,0,0,0,1|1,0,2]=4 504 B19R3.4444 c1ccc2c(cncc2c1)OCc3ncc[nH]3 7a_100000066178_100000753453 [0,0,0,0,0,1|1,0,2]=4 505 B19R3.4444 c1ccc2c(cncc2c1)OCc3nnn[nH]3 34a_100000066178_100000765167 [0,0,0,0,0,1|3,0,0]=4 506 B19R3.4444 c1ccc2c(cncc2c1)OCc3nnn[nH]3 7a_100000066178_100000765167 [0,0,0,0,0,1|3,0,0]=4 507 B19R3.4444 c1ccc2c(cncc2c1)SCC3=NCCN3 62a_100000187577_100000737910 [0,0,0,0,0,1|1,0,0]=2 508 B19R3.4444 c1ccc2c(cncc2c1)SCC3=NCCN3 62a_100000737910_100000187577 [0,0,0,0,0,1|1,0,0]=2 509 B19R3.4444 c1ccc2c(cncc2c1)SCc3ncc[nH]3 62a_100000187577_100016991755 [0,0,0,0,0,1|1,0,2]=4 510 B19R3.4444 c1ccc2c(cncc2c1)SCc3ncc[nH]3 62a_100016991755_100000187577 [0,0,0,0,0,1|1,0,2]=4 511 B19R3.4444 c1ccc2c(cncc2c1)SCc3nnn[nH]3 62a_100000187577_100000765167 [0,0,0,0,0,1|3,0,0]=4 512 B19R3.4444 c1ccc2c(cncc2c1)SCc3nnn[nH]3 62a_100000765167_100000187577 [0,0,0,0,0,1|3,0,0]=4 513 B19R3.4444 c1ccc2c(cnnc2c1)SCC3=NCCN3 62a_100000737910_100000063506 [0,0,0,0,0,1|2,0,0]=3 514 B19R3.4444 c1ccc2c(nccc2c1)CSc3ncc[nH]3 62a_100000033776_100025796157 [0,0,0,0,0,1|1,0,2]=4 515 B19R3.4444 c1ccc2c(nccc2c1)CSc3ncc[nH]3 62a_100025796157_100000033776 [0,0,0,0,0,1|1,0,2]=4 516 B19R3.4444 c1ccc2c(nccc2c1)NCc3ncc[nH]3 27a_100000754540_100011934041 [0,0,0,0,0,1|1,0,2]=4 517 B19R3.4444 c1ccc2c(nccc2c1)NCc3nnc[nH]3 27a_200015183720_100011934041 [0,0,0,0,0,1|2,0,1]=4 518 B19R3.4444 c1ccc2c(nccc2c1)NCc3nnn[nH]3 27a_100000739814_100011934041 [0,0,0,0,0,1|3,0,0]=4 519 B19R3.4444 c1ccc2c(nccc2c1)OCC3=NCCN3 34a_102531767632_100000737910 [0,0,0,0,0,1|1,0,0]=2 520 B19R3.4444 c1ccc2c(nccc2c1)OCc3ncc[nH]3 34a_102531767632_100016991755 [0,0,0,0,0,1|1,0,2]=4 521 B19R3.4444 c1ccc2c(nccc2c1)OCc3nnn[nH]3 34a_102531767632_100000765167 [0,0,0,0,0,1|3,0,0]=4 522 B19R3.4444 c1ccc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100011934041 [0,0,0,0,0,1|1,0,0]=2 523 B19R3.4444 c1ccc2c(nccc2c1)SCC3=NCCN3 62a_100011934041_100000737910 [0,0,0,0,0,1|1,0,0]=2 524 B19R3.4444 c1ccc2c(nccc2c1)SCc3ncc[nH]3 62a_100011934041_100016991755 [0,0,0,0,0,1|1,0,2]=4 525 B19R3.4444 c1ccc2c(nccc2c1)SCc3ncc[nH]3 62a_100016991755_100011934041 [0,0,0,0,0,1|1,0,2]=4 526 B19R3.4444 c1ccc2c(nccc2c1)SCc3nnn[nH]3 62a_100000765167_100011934041 [0,0,0,0,0,1|3,0,0]=4 527 B19R3.4444 c1ccc2c(nccc2c1)SCc3nnn[nH]3 62a_100011934041_100000765167 [0,0,0,0,0,1|3,0,0]=4 528 B19R3.4444 c1ccc2c(ncnc2c1)SCC3=NCCN3 62a_100000737910_100000217608 [0,0,0,0,0,1|2,0,0]=3 529 B19R3.4444 c1ccc2c(ncnc2c1)SCC3=NCCN3 62a_100000753007_100000737910 [0,0,0,0,0,1|2,0,0]=3 530 B19R3.4444 c1ccc2c(nncc2c1)SCC3=NCCN3 62a_100000737910_100025712358 [0,0,0,0,0,1|2,0,0]=3 531 B19R3.4444 c1cnc2c(cccc2c1)CSc3ncc[nH]3 62a_100025796157_100000241032 [0,0,0,0,0,1|1,0,2]=4 532 B19R3.4444 c1cnc2c(cccc2c1)NCC3=NCCN3 34a_100000181377_100000737910 [0,0,0,0,0,1|1,0,0]=2 533 B19R3.4444 c1cnc2c(cccc2c1)NCc3ncc[nH]3 207a_100000181377_100000743867 [0,0,0,0,0,1|1,0,2]=4 534 B19R3.4444 c1cnc2c(cccc2c1)NCc3ncc[nH]3 34a_100000181377_100016991755 [0,0,0,0,0,1|1,0,2]=4 535 B19R3.4444 c1cnc2c(cccc2c1)NCc3nnn[nH]3 34a_100000181377_100000765167 [0,0,0,0,0,1|3,0,0]=4 536 B19R3.4444 c1cnc2c(cccc2c1)OCC3=NCCN3 34a_100000056035_100000737910 [0,0,0,0,0,1|1,0,0]=2 537 B19R3.4444 c1cnc2c(cccc2c1)OCc3ncc[nH]3 34a_100000056035_100016991755 [0,0,0,0,0,1|1,0,2]=4 538 B19R3.4444 c1cnc2c(cccc2c1)OCc3nnn[nH]3 34a_100000056035_100000765167 [0,0,0,0,0,1|3,0,0]=4 539 B19R3.4444 c1cnc2c(cccc2c1)SCC3=NCCN3 62a_100000737910_100011215545 [0,0,0,0,0,1|1,0,0]=2 540 B19R3.4444 c1cnc2c(cccc2c1)SCc3ncc[nH]3 62a_100016991755_100011215545 [0,0,0,0,0,1|1,0,2]=4 541 B19R3.4444 c1cnc2c(cccc2c1)SCc3nnn[nH]3 62a_100000765167_100011215545 [0,0,0,0,0,1|3,0,0]=4 542 B19R3.4444 c1cnc2c(ccnc2n1)SCC3=NCCN3 62a_100000737910_100010783457 [0,0,0,0,0,1|3,0,0]=4 543 B19R3.4444 c1cnc2c(ccnc2n1)SCC3=NCCN3 62a_100010783457_100000737910 [0,0,0,0,0,1|3,0,0]=4 544 B19R3.4444 c1cnc2c(cncc2n1)SCC3=NCCN3 62a_100000737910_200010209543 [0,0,0,0,0,1|3,0,0]=4 545 B19R3.4444 c1cnc2c(cncc2n1)SCC3=NCCN3 62a_200010209543_100000737910 [0,0,0,0,0,1|3,0,0]=4 546 B19R3.4444 c1cnc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100010063729 [0,0,0,0,0,1|2,0,0]=3 547 B19R3.4444 c1cnc2c(ncnc2c1)SCC3=NCCN3 62a_100000737910_100000063688 [0,0,0,0,0,1|3,0,0]=4 548 B19R3.4444 c1cnc2ccnc(c2c1)SCC3=NCCN3 62a_100000737910_100000077681 [0,0,0,0,0,1|2,0,0]=3 549 B19R3.4444 c1cnc2cncc(c2c1)SCC3=NCCN3 62a_100000737910_100010211308 [0,0,0,0,0,1|2,0,0]=3 550 B19R3.4444 c1cnc2cncc(c2c1)SCC3=NCCN3 62a_100010211308_100000737910 [0,0,0,0,0,1|2,0,0]=3 551 B19R3.4444 c1cnc2nccc(c2c1)SCC3=NCCN3 62a_100000087570_100000737910 [0,0,0,0,0,1|2,0,0]=3 552 B19R3.4444 c1cnc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100000087570 [0,0,0,0,0,1|2,0,0]=3 553 B19R3.4444 c1cnc2ncnc(c2c1)SCC3=NCCN3 62a_100000026734_100000737910 [0,0,0,0,0,1|3,0,0]=4 554 B19R3.4444 c1cnc2ncnc(c2c1)SCC3=NCCN3 62a_100000737910_100000026734 [0,0,0,0,0,1|3,0,0]=4 555 B16R2.1480 C=Cc1ccccc1NCC2=NCCN2 34a_100012022501_100000737910 [1,0,1,0,0,0|1,0,0]=3 556 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011218376 [1,0,1,0,0,0|1,0,0]=3 557 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100011218376_100000737910 [1,0,1,0,0,0|1,0,0]=3 558 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000210073_100000737910 [1,0,1,0,0,0|2,0,0]=4 559 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210073 [1,0,1,0,0,0|2,0,0]=4 560 B16R2.50359 BrCCOCc1cccc2c1cccc2 34a_100000211926_100011261445 [1,0,1,0,0,0|2,0,0]=4 561 B16R2.50359 C#CCNCc1cccc2c1cccc2 34a_100000212058_100011261445 [1,0,1,0,0,0|1,0,1]=4 562 B16R2.50359 C#CCNCc1cccc2c1cccc2 34a_100000753325_100000184674 [1,0,1,0,0,0|1,0,1]=4 563 B16R2.50359 C=CCNCc1cccc2c1cccc2 2230a_100020586998_100011261445 [1,0,1,0,0,0|1,0,1]=4 564 B16R2.50359 C=CCNCc1cccc2c1cccc2 270004a_100020586998_100000210074 [1,0,1,0,0,0|1,0,1]=4 565 B16R2.50359 C=CCNCc1cccc2c1cccc2 34a_100000753325_100015514636 [1,0,1,0,0,0|1,0,1]=4 566 B16R2.50359 CC=NNCc1cccc2c1cccc2 4a_100025742020_200000210099 [1,0,1,0,0,0|1,0,1]=4 567 B16R2.50359 CCCC=Cc1cccc2c1cccc2 271570a_100016258520_100000210605 [1,0,1,0,0,0|1,0,1]=4 568 B16R2.50359 CCCNCc1cccc2c1cccc2 207a_100020643023_100000210074 [1,0,1,0,0,0|1,0,0]=3 569 B16R2.50359 CCCNCc1cccc2c1cccc2 270004a_100020643023_100000210074 [1,0,1,0,0,0|1,0,0]=3 570 B16R2.50359 CCCNCc1cccc2c1cccc2 34a_100000753325_100000210303 [1,0,1,0,0,0|1,0,0]=3 571 B16R2.50359 CCCNCc1cccc2c1cccn2 207a_100020643023_100000708479 [1,0,1,0,0,0|2,0,0]=4 572 B16R2.50359 CCCNCc1cccc2c1cccn2 270004a_100020643023_100000708479 [1,0,1,0,0,0|2,0,0]=4 573 B16R2.50359 CCCNCc1cccc2c1ccnc2 207a_100020643023_100000750165 [1,0,1,0,0,0|2,0,0]=4 574 B16R2.50359 CCCNCc1cccc2c1ccnc2 270004a_100020643023_100000750165 [1,0,1,0,0,0|2,0,0]=4 575 B16R2.50359 CCCNCc1cccc2c1cncc2 207a_100020643023_100011934574 [1,0,1,0,0,0|2,0,0]=4 576 B16R2.50359 CCCNCc1cccc2c1cncc2 270004a_100020643023_100011934574 [1,0,1,0,0,0|2,0,0]=4 577 B16R2.50359 CCCNCc1cccc2c1nccc2 207a_100020643023_100000239888 [1,0,1,0,0,0|2,0,0]=4 578 B16R2.50359 CCCNCc1cccc2c1nccc2 270004a_100020643023_100000239888 [1,0,1,0,0,0|2,0,0]=4 579 B16R2.50359 CCCNCc1cncc2c1cccc2 207a_100020643023_100000684730 [1,0,1,0,0,0|2,0,0]=4 580 B16R2.50359 CCCNCc1cncc2c1cccc2 270004a_100020643023_100000684730 [1,0,1,0,0,0|2,0,0]=4 581 B16R2.50359 CCCNCc1nccc2c1cccc2 207a_100020643023_100011361464 [1,0,1,0,0,0|2,0,0]=4 582 B16R2.50359 CCCNCc1nccc2c1cccc2 270004a_100020643023_100011361464 [1,0,1,0,0,0|2,0,0]=4 583 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100000210258_100011261445 [1,0,1,0,0,0|2,0,0]=4 584 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100011216843_100000210303 [1,0,1,0,0,0|2,0,0]=4 585 B16R2.50359 CCCOCc1cccc2c1cccc2 7a_100011216843_100000210303 [1,0,1,0,0,0|2,0,0]=4 586 B16R2.50359 CCCSCc1cccc2c1cccc2 62a_100000210303_100000188474 [1,0,1,0,0,0|2,0,0]=4 587 B16R2.50359 CCCSCc1cccc2c1cccc2 62a_100011261445_100000210303 [1,0,1,0,0,0|2,0,0]=4 588 B16R2.50359 CCNCCc1cccc2c1cccc2 2230a_100000751862_100000210202 [1,0,1,0,0,0|0,0,1]=3 589 B16R2.50359 CCNCCc1cccc2c1cccc2 2230a_100015525214_100011290781 [1,0,1,0,0,0|0,0,1]=3 590 B16R2.50359 CCNCCc1cccc2c1cccc2 34a_100000751862_100000210202 [1,0,1,0,0,0|0,0,1]=3 591 B16R2.50359 CCNN=Cc1cccc2c1cccc2 4a_100000756455_100000210074 [1,0,1,0,0,0|1,0,1]=4 592 B16R2.50359 CCOC=Cc1cccc2c1cccc2 271570a_100016256518_100000210605 [1,0,1,0,0,0|1,0,1]=4 593 B16R2.50359 CCOCCc1cccc2c1cccc2 34a_100011219628_100000210202 [1,0,1,0,0,0|1,0,1]=4 594 B16R2.50359 CCOCCc1cccc2c1cccc2 34a_100121572206_100011290781 [1,0,1,0,0,0|1,0,1]=4 595 B16R2.50359 CCOCCc1cccc2c1cccc2 7a_100011219628_100000210202 [1,0,1,0,0,0|1,0,1]=4 596 B16R2.50359 CCSCCc1cccc2c1cccc2 62a_100000210202_100011290781 [1,0,1,0,0,0|1,0,1]=4 597 B16R2.50359 CCSCCc1cccc2c1cccc2 62a_100011290781_100000210202 [1,0,1,0,0,0|1,0,1]=4 598 B16R2.50359 CSCNCc1cccc2c1cccc2 34a_100000753325_100011218213 [1,0,1,0,0,0|2,0,0]=4 599 B16R2.50359 FCCNCc1cccc2c1cccc2 34a_100000724931_100011261445 [1,0,1,0,0,0|1,0,0]=3 600 B16R2.50359 FCCNCc1cccc2c1cccc2 34a_100000753325_100011217306 [1,0,1,0,0,0|1,0,0]=3 601 B16R2.50359 FCCNCc1cccc2c1ccnc2 34a_100000724931_100016989825 [1,0,1,0,0,0|2,0,0]=4 602 B16R2.50359 FCCNCc1cccc2c1nccc2 34a_100000724931_100000241032 [1,0,1,0,0,0|2,0,0]=4 603 B16R2.50359 FCCNCc1ccnc2c1cccc2 34a_100000724931_100015192512 [1,0,1,0,0,0|2,0,0]=4 604 B16R2.50359 FCCNCc1nccc2c1cccc2 34a_100000724931_100000033776 [1,0,1,0,0,0|2,0,0]=4 605 B16R2.50359 FCCOCc1cccc2c1cccc2 34a_100011216843_100011217306 [1,0,1,0,0,0|2,0,0]=4 606 B16R2.50359 FCCOCc1cccc2c1cccc2 7a_100011216843_100011217306 [1,0,1,0,0,0|2,0,0]=4 607 B16R2.50359 FCCSCc1cccc2c1cccc2 62a_100011217306_100000188474 [1,0,1,0,0,0|2,0,0]=4 608 B16R2.50359 FCCSCc1cccc2c1cccc2 62a_100011261445_100011217306 [1,0,1,0,0,0|2,0,0]=4 609 B16R2.50359 FCNCCc1cccc2c1cccc2 34a_100000751862_100015361967 [1,0,1,0,0,0|1,0,1]=4 610 B16R2.50359 NCCOCc1cccc2c1cccc2 34a_100000210304_100011261445 [1,0,1,0,0,0|1,0,0]=3 611 B16R2.50359 NCCOCc1cccc2c1ccnc2 34a_100000210304_100016989825 [1,0,1,0,0,0|2,0,0]=4 612 B16R2.50359 NCCOCc1cccc2c1nccc2 34a_100000210304_100000241032 [1,0,1,0,0,0|2,0,0]=4 613 B16R2.50359 NCCOCc1ccnc2c1cccc2 34a_100000210304_100015192512 [1,0,1,0,0,0|2,0,0]=4 614 B16R2.50359 NCCOCc1nccc2c1cccc2 34a_100000210304_100000033776 [1,0,1,0,0,0|2,0,0]=4 615 B16R2.50359 O=CCNCc1cccc2c1cccc2 34a_100000753325_200009817547 [1,0,1,0,0,0|1,0,1]=4 616 B16R2.50359 OCCNCc1cccc2c1cccc2 207a_100000210304_100000210074 [1,0,1,0,0,0|1,0,0]=3 617 B16R2.50359 OCCNCc1cccc2c1cccc2 2230a_100016997473_100011261445 [1,0,1,0,0,0|1,0,0]=3 618 B16R2.50359 OCCNCc1cccc2c1cccc2 270004a_100000210304_100000210074 [1,0,1,0,0,0|1,0,0]=3 619 B16R2.50359 OCCNCc1cccc2c1cccc2 34a_100000753325_100000211926 [1,0,1,0,0,0|1,0,0]=3 620 B16R2.50359 OCCNCc1cccc2c1cccc2 34a_100016990907_100011261445 [1,0,1,0,0,0|1,0,0]=3 621 B16R2.50359 OCCNCc1cccc2c1cccn2 207a_100000210304_100000708479 [1,0,1,0,0,0|2,0,0]=4 622 B16R2.50359 OCCNCc1cccc2c1cccn2 270004a_100000210304_100000708479 [1,0,1,0,0,0|2,0,0]=4 623 B16R2.50359 OCCNCc1cccc2c1ccnc2 207a_100000210304_100000750165 [1,0,1,0,0,0|2,0,0]=4 624 B16R2.50359 OCCNCc1cccc2c1ccnc2 2230a_100016997473_100016989825 [1,0,1,0,0,0|2,0,0]=4 625 B16R2.50359 OCCNCc1cccc2c1ccnc2 270004a_100000210304_100000750165 [1,0,1,0,0,0|2,0,0]=4 626 B16R2.50359 OCCNCc1cccc2c1ccnc2 34a_100016990907_100016989825 [1,0,1,0,0,0|2,0,0]=4 627 B16R2.50359 OCCNCc1cccc2c1cncc2 207a_100000210304_100011934574 [1,0,1,0,0,0|2,0,0]=4 628 B16R2.50359 OCCNCc1cccc2c1cncc2 270004a_100000210304_100011934574 [1,0,1,0,0,0|2,0,0]=4 629 B16R2.50359 OCCNCc1cccc2c1nccc2 207a_100000210304_100000239888 [1,0,1,0,0,0|2,0,0]=4 630 B16R2.50359 OCCNCc1cccc2c1nccc2 2230a_100016997473_100000241032 [1,0,1,0,0,0|2,0,0]=4 631 B16R2.50359 OCCNCc1cccc2c1nccc2 270004a_100000210304_100000239888 [1,0,1,0,0,0|2,0,0]=4 632 B16R2.50359 OCCNCc1cccc2c1nccc2 34a_100016990907_100000241032 [1,0,1,0,0,0|2,0,0]=4 633 B16R2.50359 OCCNCc1ccnc2c1cccc2 2230a_100016997473_100015192512 [1,0,1,0,0,0|2,0,0]=4 634 B16R2.50359 OCCNCc1ccnc2c1cccc2 34a_100016990907_100015192512 [1,0,1,0,0,0|2,0,0]=4 635 B16R2.50359 OCCNCc1cncc2c1cccc2 207a_100000210304_100000684730 [1,0,1,0,0,0|2,0,0]=4 636 B16R2.50359 OCCNCc1cncc2c1cccc2 270004a_100000210304_100000684730 [1,0,1,0,0,0|2,0,0]=4 637 B16R2.50359 OCCNCc1nccc2c1cccc2 207a_100000210304_100011361464 [1,0,1,0,0,0|2,0,0]=4 638 B16R2.50359 OCCNCc1nccc2c1cccc2 2230a_100016997473_100000033776 [1,0,1,0,0,0|2,0,0]=4 639 B16R2.50359 OCCNCc1nccc2c1cccc2 270004a_100000210304_100011361464 [1,0,1,0,0,0|2,0,0]=4 640 B16R2.50359 OCCNCc1nccc2c1cccc2 34a_100016990907_100000033776 [1,0,1,0,0,0|2,0,0]=4 641 B16R2.50359 OCCOCc1cccc2c1cccc2 34a_100011216843_100000211926 [1,0,1,0,0,0|2,0,0]=4 642 B16R2.50359 OCCOCc1cccc2c1cccc2 7a_100011216843_100000211926 [1,0,1,0,0,0|2,0,0]=4 643 B16R2.50359 OCCSCc1cccc2c1cccc2 62a_100000211926_100000188474 [1,0,1,0,0,0|2,0,0]=4 644 B16R2.50359 OCCSCc1cccc2c1cccc2 62a_100011261445_100000211926 [1,0,1,0,0,0|2,0,0]=4 645 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210202 [1,0,1,0,0,0|1,0,0]=3 646 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000210414_100000188474 [1,0,1,0,0,0|1,0,0]=3 647 B16R2.170412 CCC(=O)Cc1cccc2c1ccnc2 1458a_100000210414_100016989825 [1,0,1,0,0,0|2,0,0]=4 648 B16R2.170412 CCC(=O)Cc1cccc2c1nccc2 1458a_100000210414_100000241032 [1,0,1,0,0,0|2,0,0]=4 649 B16R2.170412 CCC(=O)Cc1ccnc2c1cccc2 1458a_100000210414_100015192512 [1,0,1,0,0,0|2,0,0]=4 650 B16R2.170412 CCC(=O)Cc1nccc2c1cccc2 1458a_100000210414_100000033776 [1,0,1,0,0,0|2,0,0]=4 651 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000210414 [1,0,1,0,0,0|2,0,0]=4 652 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000210414 [1,0,1,0,0,0|2,0,0]=4 653 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000210414 [1,0,1,0,0,0|2,0,0]=4 654 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 2230a_100000225621_100011261445 [1,0,1,0,0,0|2,0,0]=4 655 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 2230a_100000741213_100000210202 [1,0,1,0,0,0|2,0,0]=4 656 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 269982a_100000225621_100000188474 [1,0,1,0,0,0|2,0,0]=4 657 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 269982a_100000741213_100000204670 [1,0,1,0,0,0|2,0,0]=4 658 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 11a_106832991635_100000186155 [1,0,1,0,0,0|1,0,0]=3 659 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 1626a_100102657272_100000186155 [1,0,1,0,0,0|1,0,0]=3 660 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 240690a_100102657272_100000186155 [1,0,1,0,0,0|1,0,0]=3 661 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 527a_100102657272_100000186155 [1,0,1,0,0,0|1,0,0]=3 662 B16R2.170412 CNC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100102657272 [1,0,1,0,0,0|2,0,0]=4 663 B16R2.170412 O=C(CF)Cc1cccc2c1cccc2 1458a_100000186155_100015361967 [1,0,1,0,0,0|2,0,0]=4 664 B16R2.170412 O=C(CO)Cc1cccc2c1cccc2 1458a_100000210174_100000188474 [1,0,1,0,0,0|2,0,0]=4 665 B18R2.72602 C/C(=C\c1ccccc1)/COCC2=NCCN2 34a_200025717232_100000737910 [0,1,1,0,0,0|1,0,1]=4 666 B18R2.72602 C/C(=C\c1ccccc1)/COCC2=NCCN2 7a_200025717232_100000737910 [0,1,1,0,0,0|1,0,1]=4 667 B18R2.8560 C=CCOc1ccccc1OCC2=NCCN2 34a_200011262142_100000737910 [0,1,1,0,0,0|1,0,1]=4 668 B18R2.8560 C=CCOc1ccccc1OCC2=NCCN2 7a_200011262142_100000737910 [0,1,1,0,0,0|1,0,1]=4 669 B18R2.8560 C=CCSc1ccccc1NCC2=NCCN2 7a_100000198565_100000737910 [0,1,1,0,0,0|1,0,1]=4 670 B18R2.8560 O=C/C=C/c1ccccc1SCC2=NCCN2 62a_100000737910_200016268969 [0,1,1,0,0,0|1,0,0]=3 671 B18R2.8560 O=C/C=C/c1ccccc1SCC2=NCCN2 62a_200016268969_100000737910 [0,1,1,0,0,0|1,0,0]=3 672 B18R2.54646 C=CCc1cccc(c1OCC2=NCCN2)C 34a_200011218211_100000737910 [0,1,1,0,0,0|1,0,1]=4 673 B18R2.54646 C=CCc1cccc(c1OCC2=NCCN2)C 7a_200011218211_100000737910 [0,1,1,0,0,0|1,0,1]=4 674 B18R2.73027 Cc1ccc2ccccc2c1COCCCN 34a_100000182051_100000689653 [0,1,1,0,0,0|2,0,0]=4 675 B18R2.75332 Cc1ccc(c2c1cccc2)COCCCN 34a_100000182051_100012073487 [0,1,1,0,0,0|2,0,0]=4 676 B18R2.75332 NCCCOCc1ccc(c2c1cccc2)Br 34a_100000182051_100012352185 [0,1,1,0,0,0|2,0,0]=4 677 B18R2.75332 NCCCOCc1ccc(c2c1cccc2)F 34a_100000182051_100011988723 [0,1,1,0,0,0|2,0,0]=4 678 B18R2.165811 C#CCCNCCc1cccc2c1cccc2 2230a_100000751862_100000688953 [0,1,1,0,0,0|1,0,1]=4 679 B18R2.165811 C#CCCNCCc1cccc2c1cccc2 34a_100000751862_100000688953 [0,1,1,0,0,0|1,0,1]=4 680 B18R2.165811 C#CCCNCCc1cccc2c1cccc2 34a_100000755551_100011290781 [0,1,1,0,0,0|1,0,1]=4 681 B18R2.165811 C=CCCNCCc1cccc2c1cccc2 2230a_100000751862_100000754431 [0,1,1,0,0,0|1,0,1]=4 682 B18R2.165811 C=CCCNCCc1cccc2c1cccc2 2230a_100015191253_100011290781 [0,1,1,0,0,0|1,0,1]=4 683 B18R2.165811 C=CCCNCCc1cccc2c1cccc2 34a_100000751862_100000754431 [0,1,1,0,0,0|1,0,1]=4 684 B18R2.165811 CCCC=NNCc1cccc2c1cccc2 4a_100025742020_100000185831 [0,1,1,0,0,0|2,0,0]=4 685 B18R2.165811 CCCCNCCc1cccc2c1cccc2 2230a_100000102301_100011290781 [0,1,1,0,0,0|1,0,1]=4 686 B18R2.165811 CCCCNCCc1cccc2c1cccc2 2230a_100000751862_100000210211 [0,1,1,0,0,0|1,0,1]=4 687 B18R2.165811 CCCCNCCc1cccc2c1cccc2 34a_100000751862_100000210210 [0,1,1,0,0,0|1,0,1]=4 688 B18R2.165811 CCCCNCCc1cccc2c1cccc2 7a_106832991798_100011290781 [0,1,1,0,0,0|1,0,1]=4 689 B18R2.165811 CCCNCCOc1cccc2c1cccc2 2230a_100000742599_100000210303 [0,1,1,0,0,0|1,0,1]=4 690 B18R2.165811 CCCNCCOc1cccc2c1cccc2 34a_100000742599_100000210303 [0,1,1,0,0,0|1,0,1]=4 691 B18R2.165811 CNCCCOCc1cccc2c1cccc2 34a_100000213112_100011261445 [0,1,1,0,0,0|2,0,0]=4 692 B18R2.165811 COCCNCCc1cccc2c1cccc2 2230a_100000209980_100011290781 [0,1,1,0,0,0|1,0,1]=4 693 B18R2.165811 COCCNCCc1cccc2c1cccc2 2230a_100000751862_100011201679 [0,1,1,0,0,0|1,0,1]=4 694 B18R2.165811 COCCNCCc1cccc2c1cccc2 34a_100000751862_100011201679 [0,1,1,0,0,0|1,0,1]=4 695 B18R2.165811 CSCCNCCc1cccc2c1cccc2 2230a_100000751862_100000751147 [0,1,1,0,0,0|1,0,1]=4 696 B18R2.165811 CSCCNCCc1cccc2c1cccc2 2230a_100020590264_100011290781 [0,1,1,0,0,0|1,0,1]=4 697 B18R2.165811 CSCCNCCc1cccc2c1cccc2 34a_100000751862_100000212216 [0,1,1,0,0,0|1,0,1]=4 698 B18R2.165811 FCCCNCCc1cccc2c1cccc2 2230a_100000751862_100011934791 [0,1,1,0,0,0|1,0,1]=4 699 B18R2.165811 FCCCNCCc1cccc2c1cccc2 2230a_100015189416_100011290781 [0,1,1,0,0,0|1,0,1]=4 700 B18R2.165811 FCCCNCCc1cccc2c1cccc2 34a_100000751862_100011934791 [0,1,1,0,0,0|1,0,1]=4 701 B18R2.165811 FCCCNCCc1cccc2c1cccc2 34a_100015189416_100011290781 [0,1,1,0,0,0|1,0,1]=4 702 B18R2.165811 FCCNCCOc1cccc2c1cccc2 2230a_100000742599_100011217306 [0,1,1,0,0,0|1,0,1]=4 703 B18R2.165811 FCCNCCOc1cccc2c1cccc2 34a_100000724931_100000745918 [0,1,1,0,0,0|1,0,1]=4 704 B18R2.165811 FCCNCCOc1cccc2c1cccc2 34a_100000742599_100011217306 [0,1,1,0,0,0|1,0,1]=4 705 B18R2.165811 N#CCCNCCc1cccc2c1cccc2 2230a_100000751862_100011215226 [0,1,1,0,0,0|0,0,2]=4 706 B18R2.165811 NCCCCOCc1cccc2c1cccc2 34a_100000750430_100011261445 [0,1,1,0,0,0|1,0,1]=4 707 B18R2.165811 NCCCOCCc1cccc2c1cccc2 34a_100000182051_100011290781 [0,1,1,0,0,0|1,0,1]=4 708 B18R2.165811 NCCOCCOc1cccc2c1cccc2 34a_100000210304_100000745918 [0,1,1,0,0,0|1,0,1]=4 709 B18R2.165811 NOCCOCCc1cccc2c1cccc2 34a_100000700252_100011290781 [0,1,1,0,0,0|1,0,1]=4 710 B18R2.165811 OCCCNCCc1cccc2c1cccc2 2230a_100000751862_100000230001 [0,1,1,0,0,0|1,0,1]=4 711 B18R2.165811 OCCCNCCc1cccc2c1cccc2 34a_100000751862_100000230001 [0,1,1,0,0,0|1,0,1]=4 712 B18R2.165811 OCCNCCOc1cccc2c1cccc2 2230a_100000742599_100000211926 [0,1,1,0,0,0|1,0,1]=4 713 B18R2.165811 OCCNCCOc1cccc2c1cccc2 2230a_100016997473_100000745918 [0,1,1,0,0,0|1,0,1]=4 714 B18R2.165811 OCCNCCOc1cccc2c1cccc2 34a_100000742599_100000211926 [0,1,1,0,0,0|1,0,1]=4 715 B18R2.165811 OCCNCCOc1cccc2c1cccc2 34a_100016990907_100000745918 [0,1,1,0,0,0|1,0,1]=4 716 B18R2.556536 CC(C)CNCCc1cccc2c1cccc2 2230a_100000210953_100011290781 [0,1,1,0,0,0|1,0,1]=4 717 B18R2.556536 CC(C)CNCCc1cccc2c1cccc2 2230a_100000751862_100000210760 [0,1,1,0,0,0|1,0,1]=4 718 B18R2.556536 CC(C)CNCCc1cccc2c1cccc2 270004a_100000751862_100000210432 [0,1,1,0,0,0|1,0,1]=4 719 B18R2.556536 CC(C)CNCCc1cccc2c1cccc2 34a_100000210953_100011290781 [0,1,1,0,0,0|1,0,1]=4 720 B18R2.556536 CC(C)CNCCc1cccc2c1cccc2 34a_100000751862_100000210624 [0,1,1,0,0,0|1,0,1]=4 721 B18R2.556536 CC(O)CNCCc1cccc2c1cccc2 2230a_100000210904_100011290781 [0,1,1,0,0,0|1,0,1]=4 722 B18R2.556536 CC(O)CNCCc1cccc2c1cccc2 2230a_100000751862_100011218427 [0,1,1,0,0,0|1,0,1]=4 723 B18R2.556536 CC(O)CNCCc1cccc2c1cccc2 34a_100000210904_100011290781 [0,1,1,0,0,0|1,0,1]=4 724 B18R2.556536 CC(O)CNCCc1cccc2c1cccc2 34a_100000751862_100011218427 [0,1,1,0,0,0|1,0,1]=4 725 B18R2.556536 C[C@@H](N)CCOCc1cccc2c1cccc2 34a_100000706166_100011261445 [0,1,1,0,0,0|2,0,0]=4 726 B18R2.556536 C[C@@H](N)COCCc1cccc2c1cccc2 34a_100000737577_100011290781 [0,1,1,0,0,0|1,0,1]=4 727 B18R2.556536 C[C@@H](O)CNCCc1cccc2c1cccc2 2230a_100000751862_100009817552 [0,1,1,0,0,0|1,0,1]=4 728 B18R2.556536 C[C@@H](O)CNCCc1cccc2c1cccc2 34a_100000751862_100009817552 [0,1,1,0,0,0|1,0,1]=4 729 B18R2.556536 FC(F)CNCCc1cccc2c1cccc2 2230a_100000751862_100011934356 [0,1,1,0,0,0|1,0,1]=4 730 B18R2.556536 FC(F)CNCCc1cccc2c1cccc2 34a_100000751862_100011934356 [0,1,1,0,0,0|1,0,1]=4 731 B18R2.556536 FC(F)CNCCc1cccc2c1cccc2 34a_100000765723_100011290781 [0,1,1,0,0,0|1,0,1]=4 732 B18R2.741502 CC(CN)COCc1cccc2c1cccc2 34a_100000744482_100011261445 [0,1,1,0,0,0|2,0,0]=4 733 B18R2.741502 CC(CN)OCCc1cccc2c1cccc2 34a_100000210904_100011290781 [0,1,1,0,0,0|1,0,1]=4 734 B18R2.741502 CC(CO)NCCc1cccc2c1cccc2 2230a_100000751862_100012180447 [0,1,1,0,0,0|1,0,1]=4 735 B18R2.741502 CC(CO)NCCc1cccc2c1cccc2 34a_100000751862_100012180447 [0,1,1,0,0,0|1,0,1]=4 736 B18R2.741502 CCC(C)NCCc1cccc2c1cccc2 2230a_100000209981_100011290781 [0,1,1,0,0,0|1,0,1]=4 737 B18R2.741502 CCC(C)NCCc1cccc2c1cccc2 2230a_100000751862_100000758301 [0,1,1,0,0,0|1,0,1]=4 738 B18R2.741502 CCC(C)NCCc1cccc2c1cccc2 34a_100000751862_100011215416 [0,1,1,0,0,0|1,0,1]=4 739 B18R2.741502 C[C@H](CO)NCCc1cccc2c1cccc2 2230a_100000737577_100011290781 [0,1,1,0,0,0|1,0,1]=4 740 B18R2.741502 NC[C@@H](F)COCc1cccc2c1cccc2 34a_100015665980_100011261445 [0,1,1,0,0,0|2,0,0]=4 741 B18R2.883208 C#CCNC(=O)Cc1cccc2c1cccc2 11a_100000212058_100000186155 [0,1,1,0,0,0|1,0,1]=4 742 B18R2.883208 C#CCNC(=O)Cc1cccc2c1cccc2 1626a_100000212058_100000186155 [0,1,1,0,0,0|1,0,1]=4 743 B18R2.883208 C#CCNC(=O)Cc1cccc2c1cccc2 240690a_100000212058_100000186155 [0,1,1,0,0,0|1,0,1]=4 744 B18R2.883208 C#CCNC(=O)Cc1cccc2c1cccc2 527a_100000212058_100000186155 [0,1,1,0,0,0|1,0,1]=4 745 B18R2.883208 C=CCNC(=O)Cc1cccc2c1cccc2 1626a_100020586998_100000186155 [0,1,1,0,0,0|1,0,1]=4 746 B18R2.883208 C=CCNC(=O)Cc1cccc2c1cccc2 240690a_100020586998_100000186155 [0,1,1,0,0,0|1,0,1]=4 747 B18R2.883208 C=CCNC(=O)Cc1cccc2c1cccc2 527a_100020586998_100000186155 [0,1,1,0,0,0|1,0,1]=4 748 B18R2.883208 CCCCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210211 [0,1,1,0,0,0|2,0,0]=4 749 B18R2.883208 CCCCC(=O)Cc1cccc2c1cccc2 1458a_100000210183_100000188474 [0,1,1,0,0,0|2,0,0]=4 750 B18R2.883208 CCCNC(=O)Cc1cccc2c1cccc2 11a_100020643023_100000186155 [0,1,1,0,0,0|1,0,0]=3 751 B18R2.883208 CCCNC(=O)Cc1cccc2c1cccc2 1626a_100020643023_100000186155 [0,1,1,0,0,0|1,0,0]=3 752 B18R2.883208 CCCNC(=O)Cc1cccc2c1cccc2 240690a_100020643023_100000186155 [0,1,1,0,0,0|1,0,0]=3 753 B18R2.883208 CCCNC(=O)Cc1cccc2c1cccc2 527a_100020643023_100000186155 [0,1,1,0,0,0|1,0,0]=3 754 B18R2.883208 CCCNC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100020643023 [0,1,1,0,0,0|2,0,0]=4 755 B18R2.883208 CCNNC(=O)Cc1cccc2c1cccc2 22a_100000756455_100000186155 [0,1,1,0,0,0|2,0,0]=4 756 B18R2.883208 N#CCNC(=O)Cc1cccc2c1cccc2 1626a_100000734998_100000186155 [0,1,1,0,0,0|0,0,2]=4 757 B18R2.883208 N#CCNC(=O)Cc1cccc2c1cccc2 527a_100000734998_100000186155 [0,1,1,0,0,0|0,0,2]=4 758 B18R2.883208 O=C(CCCF)Cc1cccc2c1cccc2 1458a_100000186155_100011934791 [0,1,1,0,0,0|2,0,0]=4 759 B18R2.883208 O=C(CCCO)Cc1cccc2c1cccc2 1458a_100000186155_100011215043 [0,1,1,0,0,0|2,0,0]=4 760 B18R2.883208 O=C(Cc1cccc2c1cccc2)NCCF 11a_100000724931_100000186155 [0,1,1,0,0,0|1,0,0]=3 761 B18R2.883208 O=C(Cc1cccc2c1cccc2)NCCF 1626a_100000724931_100000186155 [0,1,1,0,0,0|1,0,0]=3 762 B18R2.883208 O=C(Cc1cccc2c1cccc2)NCCF 240690a_100000724931_100000186155 [0,1,1,0,0,0|1,0,0]=3 763 B18R2.883208 O=C(Cc1cccc2c1cccc2)NCCF 527a_100000724931_100000186155 [0,1,1,0,0,0|1,0,0]=3 764 B18R2.883208 O=C(Cc1cccc2c1cccc2)NCCO 240690a_100000210304_100000186155 [0,1,1,0,0,0|1,0,0]=3 765 B18R2.883208 O=C(Cc1cccc2c1cccc2)NCCO 527a_100000210304_100000186155 [0,1,1,0,0,0|1,0,0]=3 766 B18R2.883208 O=C(NCCF)Nc1cccc2c1cccc2 2430a_100000185869_100000724931 [0,1,1,0,0,0|2,0,0]=4 767 B18R2.883208 O=C(NCCO)Nc1cccc2c1cccc2 2430a_100000185869_100000210304 [0,1,1,0,0,0|2,0,0]=4 768 B18R2.892603 CCCN(C)CCc1cccc2c1cccc2 2230a_100000747261_100011290781 [0,1,1,0,0,0|1,0,1]=4 769 B18R2.892603 CCCN(C)CCc1cccc2c1cccc2 269982a_100000747261_100011290781 [0,1,1,0,0,0|1,0,1]=4 770 B18R2.892603 CN(CCO)CCc1cccc2c1cccc2 2230a_100000210263_100011290781 [0,1,1,0,0,0|1,0,1]=4 771 B18R2.892603 CN(CCO)CCc1cccc2c1cccc2 269982a_100000210263_100011290781 [0,1,1,0,0,0|1,0,1]=4 772 B18R2.80942 CCNC(=O)Nc1cccc2c1ccc(c2)Br 2430a_100010090037_100015525214 [0,1,1,0,0,0|2,0,0]=4 773 B18R2.80942 CCNC(=O)Nc1cccc2c1ccc(c2)O 2430a_100000034668_100015525214 [0,1,1,0,0,0|2,0,0]=4 774 B18R2.80947 CCNC(=O)Nc1cccc2c1cccc2Br 2430a_100009816864_100015525214 [0,1,1,0,0,0|2,0,0]=4 775 B18R2.80947 CCNC(=O)Nc1cccc2c1cccc2Cl 2430a_100000077128_100015525214 [0,1,1,0,0,0|2,0,0]=4 776 B18R2.80947 CCNC(=O)Nc1cccc2c1cccc2O 2430a_100000210686_100015525214 [0,1,1,0,0,0|2,0,0]=4 777 B18R2.124776 CCCC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000211992_100012352185 [0,1,1,0,0,0|2,0,0]=4 778 B18R2.124776 CCCC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000211992_100012073487 [0,1,1,0,0,0|2,0,0]=4 779 B18R2.124776 CCCC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000211992_100011988723 [0,1,1,0,0,0|2,0,0]=4 780 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 11a_100015525214_100000745096 [0,1,1,0,0,0|2,0,0]=4 781 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 240690a_100015525214_100000745096 [0,1,1,0,0,0|2,0,0]=4 782 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 527a_100015525214_100000745096 [0,1,1,0,0,0|2,0,0]=4 783 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)Br 2430a_100000766797_100015525214 [0,1,1,0,0,0|2,0,0]=4 784 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100015525214 [0,1,1,0,0,0|2,0,0]=4 785 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)F 2430a_100011988692_100015525214 [0,1,1,0,0,0|2,0,0]=4 786 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)O 2430a_100000705857_100015525214 [0,1,1,0,0,0|2,0,0]=4 787 B18R2.124786 CCNC(=O)Nc1cc(cc2c1cccc2)Br 2430a_100010171453_100015525214 [0,1,1,0,0,0|2,0,0]=4 788 B18R2.124786 CCNC(=O)Nc1cc(cc2c1cccc2)Br 512a_100010171453_100015525214 [0,1,1,0,0,0|2,0,0]=4 789 B18R2.124867 CCCC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000211992_100000689653 [0,1,1,0,0,0|2,0,0]=4 790 B18R2.124867 CCNC(=O)Nc1c(ccc2c1cccc2)C 2430a_100000688109_100015525214 [0,1,1,0,0,0|2,0,0]=4 791 B18R2.622760 CCNC(=O)Nc1cccc2c1c(ccc2)Br 2430a_100010002837_100015525214 [0,1,1,0,0,0|2,0,0]=4 792 B18R2.622760 CCNC(=O)Nc1cccc2c1c(ccc2)Br 512a_100010002837_100015525214 [0,1,1,0,0,0|2,0,0]=4 793 B18R2.622760 CCNC(=O)Nc1cccc2c1c(ccc2)C 2430a_100009841044_100015525214 [0,1,1,0,0,0|2,0,0]=4 794 B18R2.622760 CCNC(=O)Nc1cccc2c1c(ccc2)Cl 2430a_100009857565_100015525214 [0,1,1,0,0,0|2,0,0]=4 795 B18R2.622760 CCNC(=O)Nc1cccc2c1c(ccc2)F 2430a_100009878580_100015525214 [0,1,1,0,0,0|2,0,0]=4 796 B18R2.622760 CCNC(=O)Nc1cccc2c1c(ccc2)F 512a_100009878580_100015525214 [0,1,1,0,0,0|2,0,0]=4 797 B18R2.622807 CCNC(=O)Nc1cccc2c1cc(cc2)Br 2430a_100010090012_100015525214 [0,1,1,0,0,0|2,0,0]=4 798 B18R2.622807 CCNC(=O)Nc1cccc2c1cc(cc2)O 2430a_100000034012_100015525214 [0,1,1,0,0,0|2,0,0]=4 799 B18R2.904449 CCC(C)C(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000758301 [0,1,1,0,0,0|2,0,0]=4 800 B18R2.904449 CCC(C)C(=O)Cc1cccc2c1cccc2 1458a_100011192722_100000188474 [0,1,1,0,0,0|2,0,0]=4 801 B18R2.904449 CCC(O)C(=O)Cc1cccc2c1cccc2 1458a_100011196387_100000188474 [0,1,1,0,0,0|2,0,0]=4 802 B18R2.904449 CCN(C)C(=O)Cc1cccc2c1cccc2 11a_100000225621_100000186155 [0,1,1,0,0,0|1,0,0]=3 803 B18R2.904449 CCN(C)C(=O)Cc1cccc2c1cccc2 1626a_100000225621_100000186155 [0,1,1,0,0,0|1,0,0]=3 804 B18R2.904449 CCN(C)C(=O)Cc1cccc2c1cccc2 240690a_100000225621_100000186155 [0,1,1,0,0,0|1,0,0]=3 805 B18R2.904449 CCN(C)C(=O)Cc1cccc2c1cccc2 527a_100000225621_100000186155 [0,1,1,0,0,0|1,0,0]=3 806 B18R2.904449 CCN(C)C(=O)Nc1cccc2c1cccc2 2430a_100000185869_100000225621 [0,1,1,0,0,0|2,0,0]=4 807 B18R2.2880857 CC(C)CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210624 [0,1,1,0,0,0|2,0,0]=4 808 B18R2.2880857 CC(C)CC(=O)Cc1cccc2c1cccc2 1458a_100000210554_100000188474 [0,1,1,0,0,0|2,0,0]=4 809 B18R2.2880857 CC(C)NC(=O)Cc1cccc2c1cccc2 11a_100138425928_100000186155 [0,1,1,0,0,0|1,0,0]=3 810 B18R2.2880857 CC(C)NC(=O)Cc1cccc2c1cccc2 1626a_100138425928_100000186155 [0,1,1,0,0,0|1,0,0]=3 811 B18R2.2880857 CC(C)NC(=O)Cc1cccc2c1cccc2 240690a_100138425928_100000186155 [0,1,1,0,0,0|1,0,0]=3 812 B18R2.2880857 CC(C)NC(=O)Cc1cccc2c1cccc2 527a_100138425928_100000186155 [0,1,1,0,0,0|1,0,0]=3 813 B18R2.2880857 CC(C)NC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100138425928 [0,1,1,0,0,0|2,0,0]=4 814 B18R2.2880857 CC(O)CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100011218427 [0,1,1,0,0,0|2,0,0]=4 815 B18R2.2880857 C[C@@H](O)CC(=O)Cc1cccc2c1cccc2 1458a_100011933948_100000188474 [0,1,1,0,0,0|2,0,0]=4 816 B18R3.155 CC1CCN1Cc2cccc3c2cccc3 269982a_100000755817_100000188474 [0,1,0,0,1,0|2,0,0]=4 817 B18R3.155 CC1CCN1Cc2cccc3c2cccc3 34a_100000755817_100011261445 [0,1,0,0,1,0|2,0,0]=4 818 B18R3.211 CC1CN(C1)Cc2cccc3c2cccc3 2230a_100000702820_100011261445 [0,1,0,0,1,0|2,0,0]=4 819 B18R3.211 CC1CN(C1)Cc2cccc3c2cccc3 269982a_100000702820_100000188474 [0,1,0,0,1,0|2,0,0]=4 820 B18R3.211 CC1CN(C1)Cc2cccc3c2cccc3 270004a_100000702820_100000210074 [0,1,0,0,1,0|2,0,0]=4 821 B18R3.211 CC1CN(C1)Cc2cccc3c2cccc3 34a_100000702820_100011261445 [0,1,0,0,1,0|2,0,0]=4 822 B18R3.211 FC1CN(C1)Cc2cccc3c2cccc3 2230a_100000690557_100011261445 [0,1,0,0,1,0|2,0,0]=4 823 B18R3.211 FC1CN(C1)Cc2cccc3c2cccc3 269982a_100000690557_100000188474 [0,1,0,0,1,0|2,0,0]=4 824 B18R3.211 FC1CN(C1)Cc2cccc3c2cccc3 270004a_100000690557_100000210074 [0,1,0,0,1,0|2,0,0]=4 825 B18R3.211 FC1CN(C1)Cc2cccc3c2cccc3 34a_100000690557_100011261445 [0,1,0,0,1,0|2,0,0]=4 826 B18R3.211 OC1CN(C1)Cc2cccc3c2cccc3 269982a_100000749847_100000188474 [0,1,0,0,1,0|2,0,0]=4 827 B18R3.3229 Brc1ccc2c(cccc2c1)CN3CCC3 26a_100000754969_100010202202 [0,1,0,0,1,0|2,0,0]=4 828 B18R3.6198 Brc1cc(c2ccccc2c1)CN3CCC3 26a_100000754969_100010089979 [0,1,0,0,1,0|2,0,0]=4 829 B18R3.7170 Brc1ccc2ccccc2c1CN3CCC3 26a_100000754969_100009996032 [0,1,0,0,1,0|2,0,0]=4 830 B18R3.7170 Cc1ccc2ccccc2c1CN3CCC3 269982a_100000754969_100000689653 [0,1,0,0,1,0|2,0,0]=4 831 B18R3.32761 Brc1ccc2cccc(c2c1)CN3CCC3 26a_100000754969_100010089991 [0,1,0,0,1,0|2,0,0]=4 832 B18R3.89667 Brc1cccc2c1cccc2CN3CCC3 26a_100000754969_100010003857 [0,1,0,0,1,0|2,0,0]=4 833 B18R3.98503 Brc1ccc(c2c1cccc2)CN3CCC3 269982a_100000754969_100012352185 [0,1,0,0,1,0|2,0,0]=4 834 B18R3.98503 Brc1ccc(c2c1cccc2)CN3CCC3 26a_100000754969_100000186334 [0,1,0,0,1,0|2,0,0]=4 835 B18R3.98503 Cc1ccc(c2c1cccc2)CN3CCC3 269982a_100000754969_100012073487 [0,1,0,0,1,0|2,0,0]=4 836 B18R3.98503 Fc1ccc(c2c1cccc2)CN3CCC3 269982a_100000754969_100011988723 [0,1,0,0,1,0|2,0,0]=4 837 B18R3.825029 Brc1cccc2c1c(ccc2)CN3CCC3 26a_100000754969_100010089961 [0,1,0,0,1,0|2,0,0]=4 838 B18R3.62 Cn1ccnc1c2cccc3c2cccc3 271570a_100000693802_100000707724 [0,1,0,0,1,0|0,0,2]=4 839 B18R3.62 Cn1ncnc1c2cccc3c2cccc3 271570a_100000693802_100000732653 [0,1,0,0,1,0|1,0,1]=4 840 B18R3.178 Nc1cc(c2ccccc2c1)C3=CCCC3 271570a_100000089523_100010089974 [0,1,0,0,1,0|2,0,0]=4 841 B18R3.178 Nc1cc(c2ccccc2c1)c3ncc[nH]3 271570a_100016988920_100010089974 [0,1,0,0,1,0|0,0,2]=4 842 B18R3.178 Oc1cc(c2ccccc2c1)C3=CCCC3 271570a_100000089523_100010001680 [0,1,0,0,1,0|2,0,0]=4 843 B18R3.178 Oc1cc(c2ccccc2c1)c3ncc[nH]3 271570a_100016988920_100010001680 [0,1,0,0,1,0|0,0,2]=4 844 B18R3.178 Oc1cc(c2ccccc2c1)c3ncc[nH]3 271570a_100020673302_100025796157 [0,1,0,0,1,0|0,0,2]=4 845 B18R3.221 Brc1ccc2ccccc2c1C3=CCCC3 271570a_100000089523_100010090040 [0,1,0,0,1,0|2,0,0]=4 846 B18R3.221 Brc1ccc2ccccc2c1c3ncc[nH]3 271570a_100016988920_100010090040 [0,1,0,0,1,0|0,0,2]=4 847 B18R3.221 Cc1ccc2ccccc2c1C3=CCCC3 271570a_100000089523_100000759710 [0,1,0,0,1,0|2,0,0]=4 848 B18R3.221 Cc1ccc2ccccc2c1c3ncc[nH]3 271570a_100000693886_100025796157 [0,1,0,0,1,0|0,0,2]=4 849 B18R3.221 Cc1ccc2ccccc2c1c3ncc[nH]3 271570a_100016988920_100000759710 [0,1,0,0,1,0|0,0,2]=4 850 B18R3.221 Nc1ccc2ccccc2c1C3=CCCC3 271570a_100000089523_100000705303 [0,1,0,0,1,0|2,0,0]=4 851 B18R3.221 Nc1ccc2ccccc2c1c3ncc[nH]3 271570a_100016988920_100000705303 [0,1,0,0,1,0|0,0,2]=4 852 B18R3.221 Oc1ccc2ccccc2c1C3=CCCC3 271570a_100000089523_100000183829 [0,1,0,0,1,0|2,0,0]=4 853 B18R3.221 Oc1ccc2ccccc2c1c3ncc[nH]3 271570a_100016988920_100000183829 [0,1,0,0,1,0|0,0,2]=4 854 B18R3.221 Oc1ccc2ccccc2c1c3ncc[nH]3 271570a_200000093147_100025796157 [0,1,0,0,1,0|0,0,2]=4 855 B18R3.2910 Cc1c[nH]c(n1)c2cccc3c2cccc3 271570a_100000693802_100161115468 [0,1,0,0,1,0|0,0,2]=4 856 B18R3.3089 Cc1ccc2cccc(c2c1)c3ncc[nH]3 271570a_200102420840_100025796157 [0,1,0,0,1,0|0,0,2]=4 857 B18R3.3089 Oc1ccc2cccc(c2c1)C3=CCCC3 271570a_100000089523_100010169565 [0,1,0,0,1,0|2,0,0]=4 858 B18R3.3089 Oc1ccc2cccc(c2c1)c3ncc[nH]3 271570a_100016988920_100010169565 [0,1,0,0,1,0|0,0,2]=4 859 B18R3.5889 Fc1cccc2c1cccc2C3=CCCC3 271570a_100000089523_100009817034 [0,1,0,0,1,0|2,0,0]=4 860 B18R3.5889 Fc1cccc2c1cccc2c3ncc[nH]3 271570a_100016988920_100009817034 [0,1,0,0,1,0|0,0,2]=4 861 B18R3.5889 Nc1cccc2c1cccc2C3=CCCC3 271570a_100000089523_100009816864 [0,1,0,0,1,0|2,0,0]=4 862 B18R3.5889 Nc1cccc2c1cccc2c3ncc[nH]3 271570a_100016988920_100009816864 [0,1,0,0,1,0|0,0,2]=4 863 B18R3.5889 Nc1cccc2c1cccc2c3ncc[nH]3 271570a_200160468920_100025796157 [0,1,0,0,1,0|0,0,2]=4 864 B18R3.5889 Oc1cccc2c1cccc2C3=CCCC3 271570a_100000089523_100010003857 [0,1,0,0,1,0|2,0,0]=4 865 B18R3.5889 Oc1cccc2c1cccc2c3ncc[nH]3 271570a_100016988920_100010003857 [0,1,0,0,1,0|0,0,2]=4 866 B18R3.6430 Brc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100012339872 [0,1,0,0,1,0|2,0,0]=4 867 B18R3.6430 Brc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100010197674_100025796157 [0,1,0,0,1,0|0,0,2]=4 868 B18R3.6430 Brc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100012339872 [0,1,0,0,1,0|0,0,2]=4 869 B18R3.6430 Cc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100011215156 [0,1,0,0,1,0|2,0,0]=4 870 B18R3.6430 Cc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100011218857_100025796157 [0,1,0,0,1,0|0,0,2]=4 871 B18R3.6430 Cc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100011215156 [0,1,0,0,1,0|0,0,2]=4 872 B18R3.6430 Clc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100000696642_100025796157 [0,1,0,0,1,0|0,0,2]=4 873 B18R3.6430 Fc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100011218216 [0,1,0,0,1,0|2,0,0]=4 874 B18R3.6430 Fc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100011217420_100025796157 [0,1,0,0,1,0|0,0,2]=4 875 B18R3.6430 Fc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100011218216 [0,1,0,0,1,0|0,0,2]=4 876 B18R3.6430 Nc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100000766797 [0,1,0,0,1,0|2,0,0]=4 877 B18R3.6430 Nc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100010193830_100025796157 [0,1,0,0,1,0|0,0,2]=4 878 B18R3.6430 Nc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100000766797 [0,1,0,0,1,0|0,0,2]=4 879 B18R3.6430 Oc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100000186334 [0,1,0,0,1,0|2,0,0]=4 880 B18R3.6430 Oc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100010390994_100025796157 [0,1,0,0,1,0|0,0,2]=4 881 B18R3.6430 Oc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100000186334 [0,1,0,0,1,0|0,0,2]=4 882 B18R3.88108 Brc1cccc2c1c(ccc2)C3=CCCC3 271570a_100000089523_100010243825 [0,1,0,0,1,0|2,0,0]=4 883 B18R3.88108 Brc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100010243829_100025796157 [0,1,0,0,1,0|0,0,2]=4 884 B18R3.88108 Brc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100016988920_100010243825 [0,1,0,0,1,0|0,0,2]=4 885 B18R3.88108 Cc1cccc2c1c(ccc2)C3=CCCC3 271570a_100000089523_100009995290 [0,1,0,0,1,0|2,0,0]=4 886 B18R3.88108 Cc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100009888500_100025796157 [0,1,0,0,1,0|0,0,2]=4 887 B18R3.88108 Cc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100016988920_100009995290 [0,1,0,0,1,0|0,0,2]=4 888 B18R3.88108 Clc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_102129545177_100025796157 [0,1,0,0,1,0|0,0,2]=4 889 B18R3.88108 Fc1cccc2c1c(ccc2)C3=CCCC3 271570a_100000089523_100010177852 [0,1,0,0,1,0|2,0,0]=4 890 B18R3.88108 Fc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100016988920_100010177852 [0,1,0,0,1,0|0,0,2]=4 891 B18R3.88108 Nc1cccc2c1c(ccc2)C3=CCCC3 271570a_100000089523_100010002837 [0,1,0,0,1,0|2,0,0]=4 892 B18R3.88108 Nc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100016988920_100010002837 [0,1,0,0,1,0|0,0,2]=4 893 B18R3.88108 Oc1cccc2c1c(ccc2)C3=CCCC3 271570a_100000089523_100010089961 [0,1,0,0,1,0|2,0,0]=4 894 B18R3.88108 Oc1cccc2c1c(ccc2)c3ncc[nH]3 271570a_100016988920_100010089961 [0,1,0,0,1,0|0,0,2]=4 895 B20R3.418 Cn1ccnc1CNc2cccc3c2cccc3 207a_100000185869_100000748660 [0,1,0,0,0,1|0,0,2]=4 896 B20R3.418 Cn1ccnc1CNc2cccc3c2cccc3 34a_100000185869_100000700302 [0,1,0,0,0,1|0,0,2]=4 897 B20R3.418 Cn1ccnc1COc2cccc3c2cccc3 34a_100000210388_100000700302 [0,1,0,0,0,1|0,0,2]=4 898 B20R3.418 Cn1ccnc1COc2cccc3c2cccc3 7a_100000210388_100000700302 [0,1,0,0,0,1|0,0,2]=4 899 B20R3.418 Cn1ccnc1CSc2cccc3c2cccc3 62a_100000700302_100000210605 [0,1,0,0,0,1|0,0,2]=4 900 B20R3.418 Cn1ccnc1SCc2cccc3c2cccc3 62a_100000707724_100000188474 [0,1,0,0,0,1|0,0,2]=4 901 B20R3.418 Cn1ccnc1SCc2cccc3c2cccc3 62a_100011261445_100000707724 [0,1,0,0,0,1|0,0,2]=4 902 B20R3.418 Cn1ncnc1NCc2cccc3c2cccc3 27a_100000753325_100000732653 [0,1,0,0,0,1|1,0,1]=4 903 B20R3.418 Cn1ncnc1SCc2cccc3c2cccc3 62a_100000732653_100000188474 [0,1,0,0,0,1|1,0,1]=4 904 B20R3.418 Cn1ncnc1SCc2cccc3c2cccc3 62a_100011261445_100000732653 [0,1,0,0,0,1|1,0,1]=4 905 B20R3.5155 Cc1c[nH]c(n1)CNc2cccc3c2cccc3 207a_100000185869_100000082322 [0,1,0,0,0,1|0,0,2]=4 906 B20R3.5155 Cc1c[nH]c(n1)SCc2cccc3c2cccc3 62a_100011261445_100161115468 [0,1,0,0,0,1|0,0,2]=4 907 B20R3.5155 Cc1c[nH]c(n1)SCc2cccc3c2cccc3 62a_100161115468_100000188474 [0,1,0,0,0,1|0,0,2]=4 908 B20R3.5155 O=c1[nH]nc([nH]1)COc2cccc3c2cccc3 7a_100000210388_100000754189 [0,1,0,0,0,1|1,0,1]=4 909 B20R3.5958 Brc1ccc2c(cccc2c1)NCC3=NCCN3 34a_100010090037_100000737910 [0,1,0,0,0,1|0,0,0]=2 910 B20R3.5958 Brc1ccc2c(cccc2c1)NCc3ncc[nH]3 207a_100010090037_100000743867 [0,1,0,0,0,1|0,0,2]=4 911 B20R3.5958 Brc1ccc2c(cccc2c1)NCc3ncc[nH]3 34a_100010090037_100016991755 [0,1,0,0,0,1|0,0,2]=4 912 B20R3.5958 Brc1ccc2c(cccc2c1)NCc3nnn[nH]3 34a_100010090037_100000765167 [0,1,0,0,0,1|2,0,0]=4 913 B20R3.5958 Brc1ccc2c(cccc2c1)OCC3=NCCN3 34a_100010202202_100000737910 [0,1,0,0,0,1|0,0,0]=2 914 B20R3.5958 Brc1ccc2c(cccc2c1)OCC3=NCCN3 7a_100010202202_100000737910 [0,1,0,0,0,1|0,0,0]=2 915 B20R3.5958 Brc1ccc2c(cccc2c1)OCc3ncc[nH]3 34a_100010202202_100016991755 [0,1,0,0,0,1|0,0,2]=4 916 B20R3.5958 Brc1ccc2c(cccc2c1)OCc3ncc[nH]3 7a_100010202202_100000753453 [0,1,0,0,0,1|0,0,2]=4 917 B20R3.5958 Brc1ccc2c(cccc2c1)OCc3nnn[nH]3 34a_100010202202_100000765167 [0,1,0,0,0,1|2,0,0]=4 918 B20R3.5958 Brc1ccc2c(cccc2c1)OCc3nnn[nH]3 7a_100010202202_100000765167 [0,1,0,0,0,1|2,0,0]=4 919 B20R3.5958 Brc1ccc2c(nccc2c1)OCC3=NCCN3 34a_100000760485_100000737910 [0,1,0,0,0,1|1,0,0]=3 920 B20R3.5958 Brc1cnc2c(cccc2c1)NCC3=NCCN3 34a_100000702407_100000737910 [0,1,0,0,0,1|1,0,0]=3 921 B20R3.5958 Brc1cnc2c(nccc2c1)OCC3=NCCN3 34a_100010117065_100000737910 [0,1,0,0,0,1|2,0,0]=4 922 B20R3.5958 Cc1ccc2c(cccc2n1)NCC3=NCCN3 34a_106741707140_100000737910 [0,1,0,0,0,1|1,0,0]=3 923 B20R3.5958 Cc1ccc2c(cccc2n1)SCC3=NCCN3 62a_100000737910_100010173736 [0,1,0,0,0,1|1,0,0]=3 924 B20R3.5958 Cc1ccc2c(cccc2n1)SCC3=NCCN3 62a_100010173736_100000737910 [0,1,0,0,0,1|1,0,0]=3 925 B20R3.5958 Cc1ccc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100000102439 [0,1,0,0,0,1|1,0,0]=3 926 B20R3.5958 Cc1ccc2c(ncnc2c1)SCC3=NCCN3 62a_100000737910_100000099684 [0,1,0,0,0,1|2,0,0]=4 927 B20R3.5958 Cc1cnc2c(cccc2c1)OCC3=NCCN3 34a_100000144662_100000737910 [0,1,0,0,0,1|1,0,0]=3 928 B20R3.5958 Cc1cnc2c(cccc2c1)OCC3=NCCN3 7a_100000144662_100000737910 [0,1,0,0,0,1|1,0,0]=3 929 B20R3.5958 Clc1ccc2c(ccnc2c1)OCC3=NCCN3 34a_100011215206_100000737910 [0,1,0,0,0,1|1,0,0]=3 930 B20R3.5958 Clc1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100000737910_100012352046 [0,1,0,0,0,1|1,0,0]=3 931 B20R3.5958 Clc1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100012352046_100000737910 [0,1,0,0,0,1|1,0,0]=3 932 B20R3.5958 Clc1cnc2c(cccc2c1)OCC3=NCCN3 34a_100009858588_100000737910 [0,1,0,0,0,1|1,0,0]=3 933 B20R3.5958 Clc1cnc2c(cccc2c1)OCC3=NCCN3 7a_100009858588_100000737910 [0,1,0,0,0,1|1,0,0]=3 934 B20R3.5958 Fc1ccc2c(cccc2c1)OCC3=NCCN3 34a_100009846233_100000737910 [0,1,0,0,0,1|0,0,0]=2 935 B20R3.5958 Fc1ccc2c(cccc2c1)OCC3=NCCN3 7a_100009846233_100000737910 [0,1,0,0,0,1|0,0,0]=2 936 B20R3.5958 Fc1ccc2c(cccc2c1)OCc3ncc[nH]3 34a_100009846233_100016991755 [0,1,0,0,0,1|0,0,2]=4 937 B20R3.5958 Fc1ccc2c(cccc2c1)OCc3ncc[nH]3 7a_100009846233_100000753453 [0,1,0,0,0,1|0,0,2]=4 938 B20R3.5958 Fc1ccc2c(cccc2c1)OCc3nnn[nH]3 34a_100009846233_100000765167 [0,1,0,0,0,1|2,0,0]=4 939 B20R3.5958 Fc1ccc2c(cccc2c1)OCc3nnn[nH]3 7a_100009846233_100000765167 [0,1,0,0,0,1|2,0,0]=4 940 B20R3.5958 Fc1ccc2c(ccnc2c1)OCC3=NCCN3 34a_100000004115_100000737910 [0,1,0,0,0,1|1,0,0]=3 941 B20R3.5958 Fc1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100000737910_100000755548 [0,1,0,0,0,1|1,0,0]=3 942 B20R3.5958 Fc1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100000755548_100000737910 [0,1,0,0,0,1|1,0,0]=3 943 B20R3.5958 Fc1ccc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100000097391 [0,1,0,0,0,1|1,0,0]=3 944 B20R3.5958 Fc1ccc2c(ncnc2c1)SCC3=NCCN3 62a_100000737910_100000230349 [0,1,0,0,0,1|2,0,0]=4 945 B20R3.5958 Fc1cnc2c(ccnc2c1)SCC3=NCCN3 62a_100000737910_100011072215 [0,1,0,0,0,1|2,0,0]=4 946 B20R3.5958 Fc1cnc2c(ccnc2c1)SCC3=NCCN3 62a_100011072215_100000737910 [0,1,0,0,0,1|2,0,0]=4 947 B20R3.5958 Nc1cc2cccc(c2cn1)SCC3=NCCN3 62a_100000737910_100010201637 [0,1,0,0,0,1|1,0,0]=3 948 B20R3.5958 Nc1cc2cccc(c2cn1)SCC3=NCCN3 62a_100010201637_100000737910 [0,1,0,0,0,1|1,0,0]=3 949 B20R3.5958 Nc1ccc2c(cccc2c1)OCC3=NCCN3 34a_100000035793_100000737910 [0,1,0,0,0,1|0,0,0]=2 950 B20R3.5958 Nc1ccc2c(cccc2c1)OCc3ncc[nH]3 34a_100000035793_100016991755 [0,1,0,0,0,1|0,0,2]=4 951 B20R3.5958 Nc1ccc2c(cccc2c1)OCc3nnn[nH]3 34a_100000035793_100000765167 [0,1,0,0,0,1|2,0,0]=4 952 B20R3.5958 Nc1ccc2c(cccc2n1)SCC3=NCCN3 62a_100000723655_100000737910 [0,1,0,0,0,1|1,0,0]=3 953 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3=NCCN3 62a_100000737910_100010209551 [0,1,0,0,0,1|2,0,0]=4 954 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3=NCCN3 62a_100010209551_100000737910 [0,1,0,0,0,1|2,0,0]=4 955 B20R3.5958 O=c1ccc2c(cccc2[nH]1)SCC3=NCCN3 62a_100000737910_100000726145 [0,1,0,0,0,1|1,0,0]=3 956 B20R3.5958 Oc1cc2cccc(c2cn1)SCC3=NCCN3 62a_100000737910_100009817091 [0,1,0,0,0,1|1,0,0]=3 957 B20R3.5958 Oc1ccc2c(cccc2c1)NCC3=NCCN3 34a_100000034668_100000737910 [0,1,0,0,0,1|0,0,0]=2 958 B20R3.5958 Oc1ccc2c(cccc2c1)NCc3ncc[nH]3 34a_100000034668_100016991755 [0,1,0,0,0,1|0,0,2]=4 959 B20R3.5958 Oc1ccc2c(cccc2c1)NCc3nnn[nH]3 34a_100000034668_100000765167 [0,1,0,0,0,1|2,0,0]=4 960 B20R3.5958 Oc1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100000737910_100000045489 [0,1,0,0,0,1|1,0,0]=3 961 B20R3.5958 Oc1ccc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100009867704 [0,1,0,0,0,1|1,0,0]=3 962 B20R3.5958 [O-][n+]1ccc2c(cccc2c1)SCC3=NCCN3 62a_100000737910_200010126733 [0,1,0,0,0,1|1,0,0]=3 963 B20R3.12887 Brc1cc(c2ccccc2c1)NCC3=NCCN3 34a_100010171453_100000737910 [0,1,0,0,0,1|0,0,0]=2 964 B20R3.12887 Brc1cc(c2ccccc2c1)NCc3ncc[nH]3 207a_100010171453_100000743867 [0,1,0,0,0,1|0,0,2]=4 965 B20R3.12887 Brc1cc(c2ccccc2c1)NCc3ncc[nH]3 34a_100010171453_100016991755 [0,1,0,0,0,1|0,0,2]=4 966 B20R3.12887 Brc1cc(c2ccccc2c1)NCc3nnn[nH]3 34a_100010171453_100000765167 [0,1,0,0,0,1|2,0,0]=4 967 B20R3.12887 Brc1cc(c2ccccc2c1)OCC3=NCCN3 34a_100010089979_100000737910 [0,1,0,0,0,1|0,0,0]=2 968 B20R3.12887 Brc1cc(c2ccccc2c1)OCC3=NCCN3 7a_100010089979_100000737910 [0,1,0,0,0,1|0,0,0]=2 969 B20R3.12887 Brc1cc(c2ccccc2c1)OCc3ncc[nH]3 34a_100010089979_100016991755 [0,1,0,0,0,1|0,0,2]=4 970 B20R3.12887 Brc1cc(c2ccccc2c1)OCc3ncc[nH]3 7a_100010089979_100000753453 [0,1,0,0,0,1|0,0,2]=4 971 B20R3.12887 Brc1cc(c2ccccc2c1)OCc3nnn[nH]3 34a_100010089979_100000765167 [0,1,0,0,0,1|2,0,0]=4 972 B20R3.12887 Brc1cc(c2ccccc2c1)OCc3nnn[nH]3 7a_100010089979_100000765167 [0,1,0,0,0,1|2,0,0]=4 973 B20R3.12887 Brc1cc(c2ncccc2c1)NCC3=NCCN3 34a_100009814519_100000737910 [0,1,0,0,0,1|1,0,0]=3 974 B20R3.12887 Brc1cc(c2ncccc2c1)OCC3=NCCN3 34a_100010248853_100000737910 [0,1,0,0,0,1|1,0,0]=3 975 B20R3.12887 Brc1cc(c2ncccc2c1)OCC3=NCCN3 7a_100010248853_100000737910 [0,1,0,0,0,1|1,0,0]=3 976 B20R3.12887 Brc1cc(c2ncccc2c1)SCC3=NCCN3 62a_100000737910_100010090713 [0,1,0,0,0,1|1,0,0]=3 977 B20R3.12887 Brc1cc(c2ncccc2c1)SCC3=NCCN3 62a_100010090713_100000737910 [0,1,0,0,0,1|1,0,0]=3 978 B20R3.12887 Cc1cc(c2ccccc2n1)OCC3=NCCN3 34a_100000698765_100000737910 [0,1,0,0,0,1|1,0,0]=3 979 B20R3.12887 Cc1cc(c2ccccc2n1)SCC3=NCCN3 62a_100000737910_100000735862 [0,1,0,0,0,1|1,0,0]=3 980 B20R3.12887 Cc1cc(c2ccccc2n1)SCC3=NCCN3 62a_100000764982_100000737910 [0,1,0,0,0,1|1,0,0]=3 981 B20R3.12887 Cc1cc(c2cccnc2n1)SCC3=NCCN3 62a_100000737910_100009885123 [0,1,0,0,0,1|2,0,0]=4 982 B20R3.12887 Cc1cc(c2cccnc2n1)SCC3=NCCN3 62a_100009885123_100000737910 [0,1,0,0,0,1|2,0,0]=4 983 B20R3.12887 Cc1cc(c2ncccc2c1)OCC3=NCCN3 34a_100009888445_100000737910 [0,1,0,0,0,1|1,0,0]=3 984 B20R3.12887 Cc1cc(c2ncccc2c1)OCC3=NCCN3 7a_100009888445_100000737910 [0,1,0,0,0,1|1,0,0]=3 985 B20R3.12887 Cc1cc(c2ncccc2c1)SCC3=NCCN3 62a_100000737910_100010113427 [0,1,0,0,0,1|1,0,0]=3 986 B20R3.12887 Cc1cc2ccccc2c(n1)SCC3=NCCN3 62a_100000737910_100000698243 [0,1,0,0,0,1|1,0,0]=3 987 B20R3.12887 Cc1nc(c2ccccc2n1)SCC3=NCCN3 62a_100000230251_100000737910 [0,1,0,0,0,1|2,0,0]=4 988 B20R3.12887 Cc1nc(c2ccccc2n1)SCC3=NCCN3 62a_100000737910_100000230251 [0,1,0,0,0,1|2,0,0]=4 989 B20R3.12887 Clc1cc(c2ncccc2c1)NCC3=NCCN3 34a_100000026717_100000737910 [0,1,0,0,0,1|1,0,0]=3 990 B20R3.12887 Clc1cc(c2ncccc2c1)OCC3=NCCN3 34a_200000089624_100000737910 [0,1,0,0,0,1|1,0,0]=3 991 B20R3.12887 Clc1cc(c2ncccc2c1)OCC3=NCCN3 7a_200000089624_100000737910 [0,1,0,0,0,1|1,0,0]=3 992 B20R3.12887 Fc1cc(c2ncccc2c1)NCC3=NCCN3 34a_100000088212_100000737910 [0,1,0,0,0,1|1,0,0]=3 993 B20R3.12887 Fc1cc(c2ncccc2c1)SCC3=NCCN3 62a_100000737910_100010214460 [0,1,0,0,0,1|1,0,0]=3 994 B20R3.12887 Fc1cc(c2ncccc2c1)SCC3=NCCN3 62a_100010214460_100000737910 [0,1,0,0,0,1|1,0,0]=3 995 B20R3.12887 Fc1cc(c2nccnc2c1)SCC3=NCCN3 62a_100000737910_100011083936 [0,1,0,0,0,1|2,0,0]=4 996 B20R3.12887 Fc1cc(c2nccnc2c1)SCC3=NCCN3 62a_100011083936_100000737910 [0,1,0,0,0,1|2,0,0]=4 997 B20R3.12887 Nc1cc(c2ccccc2c1)SCC3=NCCN3 62a_100000737910_100010089974 [0,1,0,0,0,1|0,0,0]=2 998 B20R3.12887 Nc1cc(c2ccccc2c1)SCC3=NCCN3 62a_100010089974_100000737910 [0,1,0,0,0,1|0,0,0]=2 999 B20R3.12887 Nc1cc(c2ccccc2c1)SCc3ncc[nH]3 62a_100010089974_100016991755 [0,1,0,0,0,1|0,0,2]=4 1000 B20R3.12887 Nc1cc(c2ccccc2c1)SCc3ncc[nH]3 62a_100016991755_100010089974 [0,1,0,0,0,1|0,0,2]=4 1001 B20R3.12887 Nc1cc(c2ccccc2c1)SCc3nnn[nH]3 62a_100000765167_100010089974 [0,1,0,0,0,1|2,0,0]=4 1002 B20R3.12887 Nc1cc(c2ccccc2c1)SCc3nnn[nH]3 62a_100010089974_100000765167 [0,1,0,0,0,1|2,0,0]=4 1003 B20R3.12887 Nc1cc2ccccc2c(n1)SCC3=NCCN3 62a_100000737910_100009814382 [0,1,0,0,0,1|1,0,0]=3 1004 B20R3.12887 Nc1cc2ccccc2c(n1)SCC3=NCCN3 62a_100009814382_100000737910 [0,1,0,0,0,1|1,0,0]=3 1005 B20R3.12887 Nc1cc2cccnc2c(n1)SCC3=NCCN3 62a_100000737910_100010205410 [0,1,0,0,0,1|2,0,0]=4 1006 B20R3.12887 Nc1cc2cccnc2c(n1)SCC3=NCCN3 62a_100010205410_100000737910 [0,1,0,0,0,1|2,0,0]=4 1007 B20R3.12887 Nc1cc2cnccc2c(n1)SCC3=NCCN3 62a_100000690061_100000737910 [0,1,0,0,0,1|2,0,0]=4 1008 B20R3.12887 Nc1cc2cnccc2c(n1)SCC3=NCCN3 62a_100000737910_100000690061 [0,1,0,0,0,1|2,0,0]=4 1009 B20R3.12887 O=c1cc(c2ccccc2[nH]1)SCC3=NCCN3 62a_100000737910_100000075698 [0,1,0,0,0,1|1,0,0]=3 1010 B20R3.12887 O=c1cc(c2cccnc2[nH]1)SCC3=NCCN3 62a_100000737910_100010499609 [0,1,0,0,0,1|2,0,0]=4 1011 B20R3.12887 Oc1cc(c2ccccc2c1)SCC3=NCCN3 62a_100000737910_100010001680 [0,1,0,0,0,1|0,0,0]=2 1012 B20R3.12887 Oc1cc(c2ccccc2c1)SCc3ncc[nH]3 62a_100016991755_100010001680 [0,1,0,0,0,1|0,0,2]=4 1013 B20R3.12887 Oc1cc(c2ccccc2c1)SCc3nnn[nH]3 62a_100000765167_100010001680 [0,1,0,0,0,1|2,0,0]=4 1014 B20R3.12887 Oc1cc(c2cnccc2c1)SCC3=NCCN3 62a_100000737910_100011009069 [0,1,0,0,0,1|1,0,0]=3 1015 B20R3.12887 Oc1cc(c2ncccc2c1)NCC3=NCCN3 34a_100000083691_100000737910 [0,1,0,0,0,1|1,0,0]=3 1016 B20R3.12887 [O-][n+]1cc(c2ccccc2c1)SCC3=NCCN3 62a_100000737910_100009995557 [0,1,0,0,0,1|1,0,0]=3 1017 B20R3.14776 Brc1ccc2ccccc2c1NCC3=NCCN3 34a_100009817101_100000737910 [0,1,0,0,0,1|0,0,0]=2 1018 B20R3.14776 Brc1ccc2ccccc2c1NCc3ncc[nH]3 34a_100009817101_100016991755 [0,1,0,0,0,1|0,0,2]=4 1019 B20R3.14776 Brc1ccc2ccccc2c1NCc3nnn[nH]3 34a_100009817101_100000765167 [0,1,0,0,0,1|2,0,0]=4 1020 B20R3.14776 Brc1ccc2ccccc2c1OCC3=NCCN3 34a_100009996032_100000737910 [0,1,0,0,0,1|0,0,0]=2 1021 B20R3.14776 Brc1ccc2ccccc2c1OCC3=NCCN3 7a_100009996032_100000737910 [0,1,0,0,0,1|0,0,0]=2 1022 B20R3.14776 Brc1ccc2ccccc2c1OCc3ncc[nH]3 34a_100009996032_100016991755 [0,1,0,0,0,1|0,0,2]=4 1023 B20R3.14776 Brc1ccc2ccccc2c1OCc3ncc[nH]3 7a_100009996032_100000753453 [0,1,0,0,0,1|0,0,2]=4 1024 B20R3.14776 Brc1ccc2ccccc2c1OCc3nnn[nH]3 34a_100009996032_100000765167 [0,1,0,0,0,1|2,0,0]=4 1025 B20R3.14776 Brc1ccc2ccccc2c1OCc3nnn[nH]3 7a_100009996032_100000765167 [0,1,0,0,0,1|2,0,0]=4 1026 B20R3.14776 Brc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100010090040 [0,1,0,0,0,1|0,0,0]=2 1027 B20R3.14776 Brc1ccc2ccccc2c1SCC3=NCCN3 62a_100010090040_100000737910 [0,1,0,0,0,1|0,0,0]=2 1028 B20R3.14776 Brc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100010090040_100016991755 [0,1,0,0,0,1|0,0,2]=4 1029 B20R3.14776 Brc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100016991755_100010090040 [0,1,0,0,0,1|0,0,2]=4 1030 B20R3.14776 Brc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100000765167_100010090040 [0,1,0,0,0,1|2,0,0]=4 1031 B20R3.14776 Brc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100010090040_100000765167 [0,1,0,0,0,1|2,0,0]=4 1032 B20R3.14776 Brc1ccc2cccnc2c1OCC3=NCCN3 34a_100009816563_100000737910 [0,1,0,0,0,1|1,0,0]=3 1033 B20R3.14776 Brc1cnc2ccccc2c1SCC3=NCCN3 62a_100000737910_200010179490 [0,1,0,0,0,1|1,0,0]=3 1034 B20R3.14776 Brc1cnc2ccccc2c1SCC3=NCCN3 62a_200010179490_100000737910 [0,1,0,0,0,1|1,0,0]=3 1035 B20R3.14776 Cc1ccc2ccccc2c1CSc3ncc[nH]3 62a_100000689653_100025796157 [0,1,0,0,0,1|0,0,2]=4 1036 B20R3.14776 Cc1ccc2ccccc2c1CSc3ncc[nH]3 62a_100025796157_100000689653 [0,1,0,0,0,1|0,0,2]=4 1037 B20R3.14776 Cc1ccc2ccccc2c1NCC3=NCCN3 34a_100000688109_100000737910 [0,1,0,0,0,1|0,0,0]=2 1038 B20R3.14776 Cc1ccc2ccccc2c1NCc3ncc[nH]3 207a_100000688109_100000743867 [0,1,0,0,0,1|0,0,2]=4 1039 B20R3.14776 Cc1ccc2ccccc2c1NCc3ncc[nH]3 34a_100000688109_100016991755 [0,1,0,0,0,1|0,0,2]=4 1040 B20R3.14776 Cc1ccc2ccccc2c1NCc3nnn[nH]3 34a_100000688109_100000765167 [0,1,0,0,0,1|2,0,0]=4 1041 B20R3.14776 Cc1ccc2ccccc2c1OCC3=NCCN3 34a_100000039261_100000737910 [0,1,0,0,0,1|0,0,0]=2 1042 B20R3.14776 Cc1ccc2ccccc2c1OCC3=NCCN3 7a_100000039261_100000737910 [0,1,0,0,0,1|0,0,0]=2 1043 B20R3.14776 Cc1ccc2ccccc2c1OCc3ncc[nH]3 34a_100000039261_100016991755 [0,1,0,0,0,1|0,0,2]=4 1044 B20R3.14776 Cc1ccc2ccccc2c1OCc3ncc[nH]3 7a_100000039261_100000753453 [0,1,0,0,0,1|0,0,2]=4 1045 B20R3.14776 Cc1ccc2ccccc2c1OCc3nnn[nH]3 34a_100000039261_100000765167 [0,1,0,0,0,1|2,0,0]=4 1046 B20R3.14776 Cc1ccc2ccccc2c1OCc3nnn[nH]3 7a_100000039261_100000765167 [0,1,0,0,0,1|2,0,0]=4 1047 B20R3.14776 Cc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000759710 [0,1,0,0,0,1|0,0,0]=2 1048 B20R3.14776 Cc1ccc2ccccc2c1SCC3=NCCN3 62a_100000759710_100000737910 [0,1,0,0,0,1|0,0,0]=2 1049 B20R3.14776 Cc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100000759710_100016991755 [0,1,0,0,0,1|0,0,2]=4 1050 B20R3.14776 Cc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100016991755_100000759710 [0,1,0,0,0,1|0,0,2]=4 1051 B20R3.14776 Cc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100000759710_100000765167 [0,1,0,0,0,1|2,0,0]=4 1052 B20R3.14776 Cc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100000765167_100000759710 [0,1,0,0,0,1|2,0,0]=4 1053 B20R3.14776 Cc1ccc2cccnc2c1NCC3=NCCN3 34a_100000065890_100000737910 [0,1,0,0,0,1|1,0,0]=3 1054 B20R3.14776 Cc1ccc2cnccc2c1SCC3=NCCN3 62a_100000737910_100010204589 [0,1,0,0,0,1|1,0,0]=3 1055 B20R3.14776 Cc1ccc2cnccc2c1SCC3=NCCN3 62a_100010204589_100000737910 [0,1,0,0,0,1|1,0,0]=3 1056 B20R3.14776 Cc1ccc2ncccc2c1NCC3=NCCN3 34a_100011933972_100000737910 [0,1,0,0,0,1|1,0,0]=3 1057 B20R3.14776 Cc1cnc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000092342 [0,1,0,0,0,1|1,0,0]=3 1058 B20R3.14776 Clc1ccc2ccccc2c1NCC3=NCCN3 34a_200009860907_100000737910 [0,1,0,0,0,1|0,0,0]=2 1059 B20R3.14776 Clc1ccc2ccccc2c1NCc3ncc[nH]3 34a_200009860907_100016991755 [0,1,0,0,0,1|0,0,2]=4 1060 B20R3.14776 Clc1ccc2ccccc2c1NCc3nnn[nH]3 34a_200009860907_100000765167 [0,1,0,0,0,1|2,0,0]=4 1061 B20R3.14776 Clc1ccc2cccnc2c1OCC3=NCCN3 34a_100000700379_100000737910 [0,1,0,0,0,1|1,0,0]=3 1062 B20R3.14776 Clc1ccc2cccnc2c1OCC3=NCCN3 7a_100000700379_100000737910 [0,1,0,0,0,1|1,0,0]=3 1063 B20R3.14776 Fc1ccc2ccncc2c1SCC3=NCCN3 62a_100000737910_200015767032 [0,1,0,0,0,1|1,0,0]=3 1064 B20R3.14776 Fc1ccc2ccncc2c1SCC3=NCCN3 62a_200015767032_100000737910 [0,1,0,0,0,1|1,0,0]=3 1065 B20R3.14776 Fc1ccc2cnccc2c1SCC3=NCCN3 62a_100000737910_100010272212 [0,1,0,0,0,1|1,0,0]=3 1066 B20R3.14776 Fc1ccc2cnccc2c1SCC3=NCCN3 62a_100010272212_100000737910 [0,1,0,0,0,1|1,0,0]=3 1067 B20R3.14776 Nc1ccc2ccccc2c1OCC3=NCCN3 34a_100000007060_100000737910 [0,1,0,0,0,1|0,0,0]=2 1068 B20R3.14776 Nc1ccc2ccccc2c1OCc3ncc[nH]3 34a_100000007060_100016991755 [0,1,0,0,0,1|0,0,2]=4 1069 B20R3.14776 Nc1ccc2ccccc2c1OCc3nnn[nH]3 34a_100000007060_100000765167 [0,1,0,0,0,1|2,0,0]=4 1070 B20R3.14776 Nc1ccc2ccccc2c1SCC3=NCCN3 62a_100000705303_100000737910 [0,1,0,0,0,1|0,0,0]=2 1071 B20R3.14776 Nc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000705303 [0,1,0,0,0,1|0,0,0]=2 1072 B20R3.14776 Nc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100000705303_100016991755 [0,1,0,0,0,1|0,0,2]=4 1073 B20R3.14776 Nc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100016991755_100000705303 [0,1,0,0,0,1|0,0,2]=4 1074 B20R3.14776 Nc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100000705303_100000765167 [0,1,0,0,0,1|2,0,0]=4 1075 B20R3.14776 Nc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100000765167_100000705303 [0,1,0,0,0,1|2,0,0]=4 1076 B20R3.14776 Nc1ccc2cnccc2c1SCC3=NCCN3 62a_100000737910_100010245214 [0,1,0,0,0,1|1,0,0]=3 1077 B20R3.14776 Nc1ccc2cnccc2c1SCC3=NCCN3 62a_100010245214_100000737910 [0,1,0,0,0,1|1,0,0]=3 1078 B20R3.14776 Nc1ccc2ncccc2c1SCC3=NCCN3 62a_100000737910_200009995563 [0,1,0,0,0,1|1,0,0]=3 1079 B20R3.14776 Nc1ccc2ncccc2c1SCC3=NCCN3 62a_200009995563_100000737910 [0,1,0,0,0,1|1,0,0]=3 1080 B20R3.14776 Nc1ccc2nccnc2c1SCC3=NCCN3 62a_100000729981_100000737910 [0,1,0,0,0,1|2,0,0]=4 1081 B20R3.14776 Nc1ccc2nccnc2c1SCC3=NCCN3 62a_100000737910_100000729981 [0,1,0,0,0,1|2,0,0]=4 1082 B20R3.14776 Nc1cnc2ccccc2c1SCC3=NCCN3 62a_100000737910_100012243074 [0,1,0,0,0,1|1,0,0]=3 1083 B20R3.14776 Nc1cnc2ccccc2c1SCC3=NCCN3 62a_100009995561_100000737910 [0,1,0,0,0,1|1,0,0]=3 1084 B20R3.14776 Nc1cnc2cccnc2c1SCC3=NCCN3 62a_100000737910_100009889961 [0,1,0,0,0,1|2,0,0]=4 1085 B20R3.14776 Nc1ncc2ccccc2c1SCC3=NCCN3 62a_100000737910_100009994184 [0,1,0,0,0,1|1,0,0]=3 1086 B20R3.14776 Nc1ncc2ccccc2c1SCC3=NCCN3 62a_100009994184_100000737910 [0,1,0,0,0,1|1,0,0]=3 1087 B20R3.14776 Oc1ccc2ccccc2c1NCC3=NCCN3 34a_100000007056_100000737910 [0,1,0,0,0,1|0,0,0]=2 1088 B20R3.14776 Oc1ccc2ccccc2c1NCc3ncc[nH]3 34a_100000007056_100016991755 [0,1,0,0,0,1|0,0,2]=4 1089 B20R3.14776 Oc1ccc2ccccc2c1NCc3nnn[nH]3 34a_100000007056_100000765167 [0,1,0,0,0,1|2,0,0]=4 1090 B20R3.14776 Oc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000183829 [0,1,0,0,0,1|0,0,0]=2 1091 B20R3.14776 Oc1ccc2ccccc2c1SCc3ncc[nH]3 62a_100016991755_100000183829 [0,1,0,0,0,1|0,0,2]=4 1092 B20R3.14776 Oc1ccc2ccccc2c1SCc3nnn[nH]3 62a_100000765167_100000183829 [0,1,0,0,0,1|2,0,0]=4 1093 B20R3.14776 Oc1ccc2cccnc2c1SCC3=NCCN3 62a_100000737910_100010173343 [0,1,0,0,0,1|1,0,0]=3 1094 B20R3.14776 Oc1ccc2ccncc2c1SCC3=NCCN3 62a_100000737910_200010115057 [0,1,0,0,0,1|1,0,0]=3 1095 B20R3.16136 CN(CC1=NCCN1)c2cccc3c2cccc3 269982a_100000220138_100000737910 [0,1,0,0,0,1|0,0,0]=2 1096 B20R3.16136 CN(CC1=NCCN1)c2cccc3c2cccc3 34a_100000220138_100000737910 [0,1,0,0,0,1|0,0,0]=2 1097 B20R3.16136 CN(Cc1ncc[nH]1)c2cccc3c2cccc3 2230a_100000220138_100016991755 [0,1,0,0,0,1|0,0,2]=4 1098 B20R3.16136 CN(Cc1ncc[nH]1)c2cccc3c2cccc3 269982a_100000220138_100016991755 [0,1,0,0,0,1|0,0,2]=4 1099 B20R3.16136 CN(Cc1ncc[nH]1)c2cccc3c2cccc3 34a_100000220138_100016991755 [0,1,0,0,0,1|0,0,2]=4 1100 B20R3.16136 CN(Cc1nnn[nH]1)c2cccc3c2cccc3 269982a_100000220138_100000765167 [0,1,0,0,0,1|2,0,0]=4 1101 B20R3.16136 CN(Cc1nnn[nH]1)c2cccc3c2cccc3 34a_100000220138_100000765167 [0,1,0,0,0,1|2,0,0]=4 1102 B20R3.16136 O=C(Cc1nnn[nH]1)c2cccc3c2cccc3 1458a_100000210949_100000765167 [0,1,0,0,0,1|2,0,0]=4 1103 B20R3.94335 Brc1ccc2cccc(c2c1)NCC3=NCCN3 34a_100010090012_100000737910 [0,1,0,0,0,1|0,0,0]=2 1104 B20R3.94335 Brc1ccc2cccc(c2c1)NCc3ncc[nH]3 207a_100010090012_100000743867 [0,1,0,0,0,1|0,0,2]=4 1105 B20R3.94335 Brc1ccc2cccc(c2c1)NCc3ncc[nH]3 34a_100010090012_100016991755 [0,1,0,0,0,1|0,0,2]=4 1106 B20R3.94335 Brc1ccc2cccc(c2c1)NCc3nnn[nH]3 34a_100010090012_100000765167 [0,1,0,0,0,1|2,0,0]=4 1107 B20R3.94335 Brc1ccc2cccc(c2c1)OCC3=NCCN3 34a_100010089991_100000737910 [0,1,0,0,0,1|0,0,0]=2 1108 B20R3.94335 Brc1ccc2cccc(c2c1)OCC3=NCCN3 7a_100010089991_100000737910 [0,1,0,0,0,1|0,0,0]=2 1109 B20R3.94335 Brc1ccc2cccc(c2c1)OCc3ncc[nH]3 34a_100010089991_100016991755 [0,1,0,0,0,1|0,0,2]=4 1110 B20R3.94335 Brc1ccc2cccc(c2c1)OCc3ncc[nH]3 7a_100010089991_100000753453 [0,1,0,0,0,1|0,0,2]=4 1111 B20R3.94335 Brc1ccc2cccc(c2c1)OCc3nnn[nH]3 34a_100010089991_100000765167 [0,1,0,0,0,1|2,0,0]=4 1112 B20R3.94335 Brc1ccc2cccc(c2c1)OCc3nnn[nH]3 7a_100010089991_100000765167 [0,1,0,0,0,1|2,0,0]=4 1113 B20R3.94335 Brc1ccc2cccc(c2n1)OCC3=NCCN3 34a_100010153751_100000737910 [0,1,0,0,0,1|1,0,0]=3 1114 B20R3.94335 Brc1ccc2cccc(c2n1)OCC3=NCCN3 7a_100010153751_100000737910 [0,1,0,0,0,1|1,0,0]=3 1115 B20R3.94335 Brc1ccc2ccnc(c2c1)OCC3=NCCN3 34a_100000010956_100000737910 [0,1,0,0,0,1|1,0,0]=3 1116 B20R3.94335 Brc1ccc2cncc(c2c1)OCC3=NCCN3 34a_100010136424_100000737910 [0,1,0,0,0,1|1,0,0]=3 1117 B20R3.94335 Brc1ccc2cncc(c2c1)OCC3=NCCN3 7a_100010136424_100000737910 [0,1,0,0,0,1|1,0,0]=3 1118 B20R3.94335 Brc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100010189052 [0,1,0,0,0,1|1,0,0]=3 1119 B20R3.94335 Brc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100010189052_100000737910 [0,1,0,0,0,1|1,0,0]=3 1120 B20R3.94335 Brc1cnc2cccc(c2c1)NCC3=NCCN3 34a_100010264086_100000737910 [0,1,0,0,0,1|1,0,0]=3 1121 B20R3.94335 Brc1cnc2cccc(c2c1)OCC3=NCCN3 34a_200010153752_100000737910 [0,1,0,0,0,1|1,0,0]=3 1122 B20R3.94335 Brc1cnc2cccc(c2c1)OCC3=NCCN3 7a_200010153752_100000737910 [0,1,0,0,0,1|1,0,0]=3 1123 B20R3.94335 Cc1cc2c(cccc2nn1)NCC3=NCCN3 34a_100000033955_100000737910 [0,1,0,0,0,1|2,0,0]=4 1124 B20R3.94335 Cc1ccc2cccc(c2c1)OCC3=NCCN3 34a_100000040781_100000737910 [0,1,0,0,0,1|0,0,0]=2 1125 B20R3.94335 Cc1ccc2cccc(c2c1)OCC3=NCCN3 7a_100000040781_100000737910 [0,1,0,0,0,1|0,0,0]=2 1126 B20R3.94335 Cc1ccc2cccc(c2c1)OCc3ncc[nH]3 34a_100000040781_100016991755 [0,1,0,0,0,1|0,0,2]=4 1127 B20R3.94335 Cc1ccc2cccc(c2c1)OCc3ncc[nH]3 7a_100000040781_100000753453 [0,1,0,0,0,1|0,0,2]=4 1128 B20R3.94335 Cc1ccc2cccc(c2c1)OCc3nnn[nH]3 34a_100000040781_100000765167 [0,1,0,0,0,1|2,0,0]=4 1129 B20R3.94335 Cc1ccc2cccc(c2c1)OCc3nnn[nH]3 7a_100000040781_100000765167 [0,1,0,0,0,1|2,0,0]=4 1130 B20R3.94335 Cc1ccc2cccc(c2n1)NCC3=NCCN3 34a_100000019871_100000737910 [0,1,0,0,0,1|1,0,0]=3 1131 B20R3.94335 Cc1ccc2cccc(c2n1)OCC3=NCCN3 34a_100000184714_100000737910 [0,1,0,0,0,1|1,0,0]=3 1132 B20R3.94335 Cc1ccc2cccc(c2n1)OCC3=NCCN3 7a_100000184714_100000737910 [0,1,0,0,0,1|1,0,0]=3 1133 B20R3.94335 Cc1ccc2cccc(c2n1)SCC3=NCCN3 62a_100000737910_100011934484 [0,1,0,0,0,1|1,0,0]=3 1134 B20R3.94335 Cc1ccc2cncc(c2c1)SCC3=NCCN3 62a_100000737910_100009817139 [0,1,0,0,0,1|1,0,0]=3 1135 B20R3.94335 Cc1ccc2nccc(c2c1)OCC3=NCCN3 34a_200011310529_100000737910 [0,1,0,0,0,1|1,0,0]=3 1136 B20R3.94335 Cc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100000751279 [0,1,0,0,0,1|1,0,0]=3 1137 B20R3.94335 Cc1ccc2nccc(c2n1)SCC3=NCCN3 62a_100000737910_100009889967 [0,1,0,0,0,1|2,0,0]=4 1138 B20R3.94335 Cc1ccc2ncnc(c2c1)SCC3=NCCN3 62a_100000737910_100000743341 [0,1,0,0,0,1|2,0,0]=4 1139 B20R3.94335 Clc1ccc2cccc(c2c1)OCC3=NCCN3 34a_100009840344_100000737910 [0,1,0,0,0,1|0,0,0]=2 1140 B20R3.94335 Clc1ccc2cccc(c2c1)OCC3=NCCN3 7a_100009840344_100000737910 [0,1,0,0,0,1|0,0,0]=2 1141 B20R3.94335 Clc1ccc2cccc(c2c1)OCc3ncc[nH]3 34a_100009840344_100016991755 [0,1,0,0,0,1|0,0,2]=4 1142 B20R3.94335 Clc1ccc2cccc(c2c1)OCc3ncc[nH]3 7a_100009840344_100000753453 [0,1,0,0,0,1|0,0,2]=4 1143 B20R3.94335 Clc1ccc2cccc(c2c1)OCc3nnn[nH]3 34a_100009840344_100000765167 [0,1,0,0,0,1|2,0,0]=4 1144 B20R3.94335 Clc1ccc2cccc(c2c1)OCc3nnn[nH]3 7a_100009840344_100000765167 [0,1,0,0,0,1|2,0,0]=4 1145 B20R3.94335 Clc1ccc2cccc(c2n1)OCC3=NCCN3 34a_100000013812_100000737910 [0,1,0,0,0,1|1,0,0]=3 1146 B20R3.94335 Clc1ccc2cccc(c2n1)OCC3=NCCN3 7a_100000013812_100000737910 [0,1,0,0,0,1|1,0,0]=3 1147 B20R3.94335 Clc1ccc2cccc(c2n1)SCC3=NCCN3 62a_100000737910_100012034269 [0,1,0,0,0,1|1,0,0]=3 1148 B20R3.94335 Clc1ccc2ccnc(c2c1)OCC3=NCCN3 34a_100000005406_100000737910 [0,1,0,0,0,1|1,0,0]=3 1149 B20R3.94335 Clc1ncc2cccc(c2n1)OCC3=NCCN3 34a_100010674811_100000737910 [0,1,0,0,0,1|2,0,0]=4 1150 B20R3.94335 Clc1ncc2cccc(c2n1)OCC3=NCCN3 7a_100010674811_100000737910 [0,1,0,0,0,1|2,0,0]=4 1151 B20R3.94335 Fc1ccc2cccc(c2c1)OCC3=NCCN3 34a_100009881884_100000737910 [0,1,0,0,0,1|0,0,0]=2 1152 B20R3.94335 Fc1ccc2cccc(c2c1)OCC3=NCCN3 7a_100009881884_100000737910 [0,1,0,0,0,1|0,0,0]=2 1153 B20R3.94335 Fc1ccc2cccc(c2c1)OCc3ncc[nH]3 34a_100009881884_100016991755 [0,1,0,0,0,1|0,0,2]=4 1154 B20R3.94335 Fc1ccc2cccc(c2c1)OCc3ncc[nH]3 7a_100009881884_100000753453 [0,1,0,0,0,1|0,0,2]=4 1155 B20R3.94335 Fc1ccc2cccc(c2c1)OCc3nnn[nH]3 34a_100009881884_100000765167 [0,1,0,0,0,1|2,0,0]=4 1156 B20R3.94335 Fc1ccc2cccc(c2c1)OCc3nnn[nH]3 7a_100009881884_100000765167 [0,1,0,0,0,1|2,0,0]=4 1157 B20R3.94335 Fc1ccc2ccnc(c2c1)SCC3=NCCN3 62a_100000737910_100010202866 [0,1,0,0,0,1|1,0,0]=3 1158 B20R3.94335 Fc1ccc2ccnc(c2c1)SCC3=NCCN3 62a_100010202866_100000737910 [0,1,0,0,0,1|1,0,0]=3 1159 B20R3.94335 Fc1ccc2nccc(c2c1)OCC3=NCCN3 34a_100000004104_100000737910 [0,1,0,0,0,1|1,0,0]=3 1160 B20R3.94335 Fc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100011217270 [0,1,0,0,0,1|1,0,0]=3 1161 B20R3.94335 Fc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100011217270_100000737910 [0,1,0,0,0,1|1,0,0]=3 1162 B20R3.94335 Fc1ccc2nccc(c2n1)SCC3=NCCN3 62a_100000719316_100000737910 [0,1,0,0,0,1|2,0,0]=4 1163 B20R3.94335 Fc1ccc2nccc(c2n1)SCC3=NCCN3 62a_100000737910_100000719316 [0,1,0,0,0,1|2,0,0]=4 1164 B20R3.94335 Fc1ccc2ncnc(c2c1)SCC3=NCCN3 62a_100000737910_100000743340 [0,1,0,0,0,1|2,0,0]=4 1165 B20R3.94335 Nc1ccc2cccc(c2c1)OCC3=NCCN3 34a_100132313934_100000737910 [0,1,0,0,0,1|0,0,0]=2 1166 B20R3.94335 Nc1ccc2cccc(c2c1)OCC3=NCCN3 7a_100132313934_100000737910 [0,1,0,0,0,1|0,0,0]=2 1167 B20R3.94335 Nc1ccc2cccc(c2c1)OCc3ncc[nH]3 34a_100132313934_100016991755 [0,1,0,0,0,1|0,0,2]=4 1168 B20R3.94335 Nc1ccc2cccc(c2c1)OCc3ncc[nH]3 7a_100132313934_100000753453 [0,1,0,0,0,1|0,0,2]=4 1169 B20R3.94335 Nc1ccc2cccc(c2c1)OCc3nnn[nH]3 34a_100132313934_100000765167 [0,1,0,0,0,1|2,0,0]=4 1170 B20R3.94335 Nc1ccc2cccc(c2c1)OCc3nnn[nH]3 7a_100132313934_100000765167 [0,1,0,0,0,1|2,0,0]=4 1171 B20R3.94335 Nc1ccc2cccc(c2n1)OCC3=NCCN3 34a_100000032106_100000737910 [0,1,0,0,0,1|1,0,0]=3 1172 B20R3.94335 Nc1ccc2cccc(c2n1)OCC3=NCCN3 7a_100000032106_100000737910 [0,1,0,0,0,1|1,0,0]=3 1173 B20R3.94335 Nc1ccc2cccc(c2n1)SCC3=NCCN3 62a_100000687151_100000737910 [0,1,0,0,0,1|1,0,0]=3 1174 B20R3.94335 Nc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100009879071 [0,1,0,0,0,1|1,0,0]=3 1175 B20R3.94335 Nc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100010074812_100000737910 [0,1,0,0,0,1|1,0,0]=3 1176 B20R3.94335 Nc1cnc2cccc(c2c1)OCC3=NCCN3 34a_100009853962_100000737910 [0,1,0,0,0,1|1,0,0]=3 1177 B20R3.94335 Nc1ncc2cccc(c2n1)SCC3=NCCN3 62a_100000737910_200010988910 [0,1,0,0,0,1|2,0,0]=4 1178 B20R3.94335 Nc1ncc2cccc(c2n1)SCC3=NCCN3 62a_200010988910_100000737910 [0,1,0,0,0,1|2,0,0]=4 1179 B20R3.94335 O=c1ccc2cccc(c2[nH]1)SCC3=NCCN3 62a_100000737910_100000688906 [0,1,0,0,0,1|1,0,0]=3 1180 B20R3.94335 Oc1ccc2cccc(c2c1)NCC3=NCCN3 34a_100000034012_100000737910 [0,1,0,0,0,1|0,0,0]=2 1181 B20R3.94335 Oc1ccc2cccc(c2c1)NCc3ncc[nH]3 34a_100000034012_100016991755 [0,1,0,0,0,1|0,0,2]=4 1182 B20R3.94335 Oc1ccc2cccc(c2c1)NCc3nnn[nH]3 34a_100000034012_100000765167 [0,1,0,0,0,1|2,0,0]=4 1183 B20R3.94335 Oc1ccc2cccc(c2c1)SCC3=NCCN3 62a_100000737910_100010169565 [0,1,0,0,0,1|0,0,0]=2 1184 B20R3.94335 Oc1ccc2cccc(c2c1)SCc3ncc[nH]3 62a_100016991755_100010169565 [0,1,0,0,0,1|0,0,2]=4 1185 B20R3.94335 Oc1ccc2cccc(c2c1)SCc3nnn[nH]3 62a_100000765167_100010169565 [0,1,0,0,0,1|2,0,0]=4 1186 B20R3.94335 Oc1ccc2ccnc(c2c1)SCC3=NCCN3 62a_100000737910_200009844553 [0,1,0,0,0,1|1,0,0]=3 1187 B20R3.94335 Oc1ccc2cncc(c2n1)SCC3=NCCN3 62a_100000737910_100009812673 [0,1,0,0,0,1|2,0,0]=4 1188 B20R3.94335 Oc1ccc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100000075933 [0,1,0,0,0,1|1,0,0]=3 1189 B20R3.251258 Brc1cccc2c1cccc2NCC3=NCCN3 34a_100009816864_100000737910 [0,1,0,0,0,1|0,0,0]=2 1190 B20R3.251258 Brc1cccc2c1cccc2NCc3ncc[nH]3 207a_100009816864_100000743867 [0,1,0,0,0,1|0,0,2]=4 1191 B20R3.251258 Brc1cccc2c1cccc2NCc3ncc[nH]3 34a_100009816864_100016991755 [0,1,0,0,0,1|0,0,2]=4 1192 B20R3.251258 Brc1cccc2c1cccc2NCc3nnn[nH]3 34a_100009816864_100000765167 [0,1,0,0,0,1|2,0,0]=4 1193 B20R3.251258 Brc1cccc2c1cccc2OCC3=NCCN3 34a_100010003857_100000737910 [0,1,0,0,0,1|0,0,0]=2 1194 B20R3.251258 Brc1cccc2c1cccc2OCC3=NCCN3 7a_100010003857_100000737910 [0,1,0,0,0,1|0,0,0]=2 1195 B20R3.251258 Brc1cccc2c1cccc2OCc3ncc[nH]3 34a_100010003857_100016991755 [0,1,0,0,0,1|0,0,2]=4 1196 B20R3.251258 Brc1cccc2c1cccc2OCc3ncc[nH]3 7a_100010003857_100000753453 [0,1,0,0,0,1|0,0,2]=4 1197 B20R3.251258 Brc1cccc2c1cccc2OCc3nnn[nH]3 34a_100010003857_100000765167 [0,1,0,0,0,1|2,0,0]=4 1198 B20R3.251258 Brc1cccc2c1cccc2OCc3nnn[nH]3 7a_100010003857_100000765167 [0,1,0,0,0,1|2,0,0]=4 1199 B20R3.251258 Brc1ccnc2c1cccc2OCC3=NCCN3 34a_100000703299_100000737910 [0,1,0,0,0,1|1,0,0]=3 1200 B20R3.251258 Brc1ccnc2c1cccc2OCC3=NCCN3 7a_100000703299_100000737910 [0,1,0,0,0,1|1,0,0]=3 1201 B20R3.251258 C[n+]1cccc2c1cccc2NCC3=NCCN3 34a_200021579679_100000737910 [0,1,0,0,0,1|1,0,0]=3 1202 B20R3.251258 Cc1cccc2c1ccnc2SCC3=NCCN3 62a_100000737910_100012002547 [0,1,0,0,0,1|1,0,0]=3 1203 B20R3.251258 Cc1cccc2c1nccc2SCC3=NCCN3 62a_100000737910_100000751276 [0,1,0,0,0,1|1,0,0]=3 1204 B20R3.251258 Cc1cccc2c1ncnc2SCC3=NCCN3 62a_100000737910_100000751292 [0,1,0,0,0,1|2,0,0]=4 1205 B20R3.251258 Cc1ccnc2c1cccc2NCC3=NCCN3 34a_100011934384_100000737910 [0,1,0,0,0,1|1,0,0]=3 1206 B20R3.251258 Cc1ccnc2c1cccc2OCC3=NCCN3 7a_100000702989_100000737910 [0,1,0,0,0,1|1,0,0]=3 1207 B20R3.251258 Cc1ccnc2c1cccc2SCC3=NCCN3 62a_100000737910_100010254272 [0,1,0,0,0,1|1,0,0]=3 1208 B20R3.251258 Cc1ccnc2c1nccc2SCC3=NCCN3 62a_100000737910_200013369187 [0,1,0,0,0,1|2,0,0]=4 1209 B20R3.251258 Cc1nccc2c1cccc2SCC3=NCCN3 62a_100000737910_100010137443 [0,1,0,0,0,1|1,0,0]=3 1210 B20R3.251258 Cc1nccc2c1cccc2SCC3=NCCN3 62a_100010137443_100000737910 [0,1,0,0,0,1|1,0,0]=3 1211 B20R3.251258 Clc1cccc2c1cccc2NCC3=NCCN3 34a_100000077128_100000737910 [0,1,0,0,0,1|0,0,0]=2 1212 B20R3.251258 Clc1cccc2c1cccc2NCc3ncc[nH]3 207a_100000077128_100000743867 [0,1,0,0,0,1|0,0,2]=4 1213 B20R3.251258 Clc1cccc2c1cccc2NCc3ncc[nH]3 34a_100000077128_100016991755 [0,1,0,0,0,1|0,0,2]=4 1214 B20R3.251258 Clc1cccc2c1cccc2NCc3nnn[nH]3 34a_100000077128_100000765167 [0,1,0,0,0,1|2,0,0]=4 1215 B20R3.251258 Clc1ccnc2c1cccc2NCC3=NCCN3 34a_100009892510_100000737910 [0,1,0,0,0,1|1,0,0]=3 1216 B20R3.251258 Clc1nccc2c1cccc2NCC3=NCCN3 34a_100000070072_100000737910 [0,1,0,0,0,1|1,0,0]=3 1217 B20R3.251258 Clc1nccc2c1cccc2SCC3=NCCN3 62a_100000737910_100010080171 [0,1,0,0,0,1|1,0,0]=3 1218 B20R3.251258 Clc1ncnc2c1cccc2SCC3=NCCN3 62a_100000737910_100010219103 [0,1,0,0,0,1|2,0,0]=4 1219 B20R3.251258 Fc1cccc2c1cccc2SCC3=NCCN3 62a_100000737910_100009817034 [0,1,0,0,0,1|0,0,0]=2 1220 B20R3.251258 Fc1cccc2c1cccc2SCC3=NCCN3 62a_100009817034_100000737910 [0,1,0,0,0,1|0,0,0]=2 1221 B20R3.251258 Fc1cccc2c1cccc2SCc3ncc[nH]3 62a_100009817034_100016991755 [0,1,0,0,0,1|0,0,2]=4 1222 B20R3.251258 Fc1cccc2c1cccc2SCc3ncc[nH]3 62a_100016991755_100009817034 [0,1,0,0,0,1|0,0,2]=4 1223 B20R3.251258 Fc1cccc2c1cccc2SCc3nnn[nH]3 62a_100000765167_100009817034 [0,1,0,0,0,1|2,0,0]=4 1224 B20R3.251258 Fc1cccc2c1cccc2SCc3nnn[nH]3 62a_100009817034_100000765167 [0,1,0,0,0,1|2,0,0]=4 1225 B20R3.251258 Fc1cccc2c1ccnc2SCC3=NCCN3 62a_100000737910_100012180906 [0,1,0,0,0,1|1,0,0]=3 1226 B20R3.251258 Fc1cccc2c1cncc2SCC3=NCCN3 62a_100000737910_100010740057 [0,1,0,0,0,1|1,0,0]=3 1227 B20R3.251258 Fc1cccc2c1cncc2SCC3=NCCN3 62a_100010740057_100000737910 [0,1,0,0,0,1|1,0,0]=3 1228 B20R3.251258 Fc1cccc2c1nccc2OCC3=NCCN3 34a_100000709910_100000737910 [0,1,0,0,0,1|1,0,0]=3 1229 B20R3.251258 Fc1cccc2c1nccc2SCC3=NCCN3 62a_100000737910_100011934723 [0,1,0,0,0,1|1,0,0]=3 1230 B20R3.251258 Fc1cccc2c1nccc2SCC3=NCCN3 62a_100011934723_100000737910 [0,1,0,0,0,1|1,0,0]=3 1231 B20R3.251258 Fc1cccc2c1ncnc2SCC3=NCCN3 62a_100000737910_100000693626 [0,1,0,0,0,1|2,0,0]=4 1232 B20R3.251258 Nc1cccc2c1cccc2OCC3=NCCN3 34a_100000210686_100000737910 [0,1,0,0,0,1|0,0,0]=2 1233 B20R3.251258 Nc1cccc2c1cccc2OCc3ncc[nH]3 34a_100000210686_100016991755 [0,1,0,0,0,1|0,0,2]=4 1234 B20R3.251258 Nc1cccc2c1cccc2OCc3nnn[nH]3 34a_100000210686_100000765167 [0,1,0,0,0,1|2,0,0]=4 1235 B20R3.251258 Nc1cccc2c1cccc2SCC3=NCCN3 62a_100009816864_100000737910 [0,1,0,0,0,1|0,0,0]=2 1236 B20R3.251258 Nc1cccc2c1cccc2SCc3ncc[nH]3 62a_100009816864_100016991755 [0,1,0,0,0,1|0,0,2]=4 1237 B20R3.251258 Nc1cccc2c1cccc2SCc3nnn[nH]3 62a_100009816864_100000765167 [0,1,0,0,0,1|2,0,0]=4 1238 B20R3.251258 Nc1cccc2c1ccnc2SCC3=NCCN3 62a_100000737910_100000070072 [0,1,0,0,0,1|1,0,0]=3 1239 B20R3.251258 Nc1cccc2c1nccc2SCC3=NCCN3 62a_100000737910_100009892510 [0,1,0,0,0,1|1,0,0]=3 1240 B20R3.251258 Nc1ccnc2c1cccc2SCC3=NCCN3 62a_100000737910_100011620713 [0,1,0,0,0,1|1,0,0]=3 1241 B20R3.251258 Nc1ccnc2c1cccc2SCC3=NCCN3 62a_100011620713_100000737910 [0,1,0,0,0,1|1,0,0]=3 1242 B20R3.251258 Nc1nccc2c1cccc2SCC3=NCCN3 62a_103549770558_100000737910 [0,1,0,0,0,1|1,0,0]=3 1243 B20R3.251258 Nc1ncnc2c1cccc2SCC3=NCCN3 62a_100000737910_100010199759 [0,1,0,0,0,1|2,0,0]=4 1244 B20R3.251258 Nc1ncnc2c1cccc2SCC3=NCCN3 62a_100010199759_100000737910 [0,1,0,0,0,1|2,0,0]=4 1245 B20R3.251258 O=c1[nH]ccc2c1cccc2SCC3=NCCN3 62a_100000737910_100000703947 [0,1,0,0,0,1|1,0,0]=3 1246 B20R3.251258 Oc1cccc2c1cccc2NCC3=NCCN3 34a_100000210686_100000737910 [0,1,0,0,0,1|0,0,0]=2 1247 B20R3.251258 Oc1cccc2c1cccc2NCc3ncc[nH]3 207a_100000210686_100000743867 [0,1,0,0,0,1|0,0,2]=4 1248 B20R3.251258 Oc1cccc2c1cccc2NCc3ncc[nH]3 34a_100000210686_100016991755 [0,1,0,0,0,1|0,0,2]=4 1249 B20R3.251258 Oc1cccc2c1cccc2NCc3nnn[nH]3 34a_100000210686_100000765167 [0,1,0,0,0,1|2,0,0]=4 1250 B20R3.251258 Oc1cccc2c1cccc2SCC3=NCCN3 62a_100000737910_100010003857 [0,1,0,0,0,1|0,0,0]=2 1251 B20R3.251258 Oc1cccc2c1cccc2SCc3ncc[nH]3 62a_100016991755_100010003857 [0,1,0,0,0,1|0,0,2]=4 1252 B20R3.251258 Oc1cccc2c1cccc2SCc3nnn[nH]3 62a_100000765167_100010003857 [0,1,0,0,0,1|2,0,0]=4 1253 B20R3.251258 Oc1cccc2c1nccc2SCC3=NCCN3 62a_100000737910_100000703299 [0,1,0,0,0,1|1,0,0]=3 1254 B20R3.251258 Oc1ncnc2c1cccc2SCC3=NCCN3 62a_100000737910_100010201916 [0,1,0,0,0,1|2,0,0]=4 1255 B20R3.275225 Brc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100012352185_100025796157 [0,1,0,0,0,1|0,0,2]=4 1256 B20R3.275225 Brc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100012352185 [0,1,0,0,0,1|0,0,2]=4 1257 B20R3.275225 Brc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100000766797_100000737910 [0,1,0,0,0,1|0,0,0]=2 1258 B20R3.275225 Brc1ccc(c2c1cccc2)NCc3ncc[nH]3 207a_100000766797_100000743867 [0,1,0,0,0,1|0,0,2]=4 1259 B20R3.275225 Brc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100000766797_100016991755 [0,1,0,0,0,1|0,0,2]=4 1260 B20R3.275225 Brc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100000766797_100000765167 [0,1,0,0,0,1|2,0,0]=4 1261 B20R3.275225 Brc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000186334_100000737910 [0,1,0,0,0,1|0,0,0]=2 1262 B20R3.275225 Brc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000186334_100000737910 [0,1,0,0,0,1|0,0,0]=2 1263 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000186334_100016991755 [0,1,0,0,0,1|0,0,2]=4 1264 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000186334_100000753453 [0,1,0,0,0,1|0,0,2]=4 1265 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000186334_100000765167 [0,1,0,0,0,1|2,0,0]=4 1266 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000186334_100000765167 [0,1,0,0,0,1|2,0,0]=4 1267 B20R3.275225 Brc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100012339872 [0,1,0,0,0,1|0,0,0]=2 1268 B20R3.275225 Brc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100012339872_100000737910 [0,1,0,0,0,1|0,0,0]=2 1269 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100012339872_100016991755 [0,1,0,0,0,1|0,0,2]=4 1270 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100012339872 [0,1,0,0,0,1|0,0,2]=4 1271 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100012339872 [0,1,0,0,0,1|2,0,0]=4 1272 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100012339872_100000765167 [0,1,0,0,0,1|2,0,0]=4 1273 B20R3.275225 Brc1ccc(c2c1cccn2)NCC3=NCCN3 34a_100000726955_100000737910 [0,1,0,0,0,1|1,0,0]=3 1274 B20R3.275225 Brc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100011934063_100000737910 [0,1,0,0,0,1|1,0,0]=3 1275 B20R3.275225 Brc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100011934063_100000737910 [0,1,0,0,0,1|1,0,0]=3 1276 B20R3.275225 Brc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100012360041_100000737910 [0,1,0,0,0,1|1,0,0]=3 1277 B20R3.275225 Cc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100012073487_100025796157 [0,1,0,0,0,1|0,0,2]=4 1278 B20R3.275225 Cc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100012073487 [0,1,0,0,0,1|0,0,2]=4 1279 B20R3.275225 Cc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000074455_100000737910 [0,1,0,0,0,1|0,0,0]=2 1280 B20R3.275225 Cc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000074455_100000737910 [0,1,0,0,0,1|0,0,0]=2 1281 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000074455_100016991755 [0,1,0,0,0,1|0,0,2]=4 1282 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000074455_100000753453 [0,1,0,0,0,1|0,0,2]=4 1283 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000074455_100000765167 [0,1,0,0,0,1|2,0,0]=4 1284 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000074455_100000765167 [0,1,0,0,0,1|2,0,0]=4 1285 B20R3.275225 Cc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100011215156 [0,1,0,0,0,1|0,0,0]=2 1286 B20R3.275225 Cc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100011215156_100000737910 [0,1,0,0,0,1|0,0,0]=2 1287 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100011215156_100016991755 [0,1,0,0,0,1|0,0,2]=4 1288 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100011215156 [0,1,0,0,0,1|0,0,2]=4 1289 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100011215156 [0,1,0,0,0,1|2,0,0]=4 1290 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100011215156_100000765167 [0,1,0,0,0,1|2,0,0]=4 1291 B20R3.275225 Cc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000058672_100000737910 [0,1,0,0,0,1|1,0,0]=3 1292 B20R3.275225 Cc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000058672_100000737910 [0,1,0,0,0,1|1,0,0]=3 1293 B20R3.275225 Cc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100000736242_100000737910 [0,1,0,0,0,1|1,0,0]=3 1294 B20R3.275225 Cc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100000694312 [0,1,0,0,0,1|1,0,0]=3 1295 B20R3.275225 Cc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000112005 [0,1,0,0,0,1|1,0,0]=3 1296 B20R3.275225 Cc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010239772 [0,1,0,0,0,1|1,0,0]=3 1297 B20R3.275225 Cc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100010239772_100000737910 [0,1,0,0,0,1|1,0,0]=3 1298 B20R3.275225 Cc1nnc(c2c1cccc2)OCC3=NCCN3 34a_100000183092_100000737910 [0,1,0,0,0,1|2,0,0]=4 1299 B20R3.275225 Cc1nnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000189618 [0,1,0,0,0,1|2,0,0]=4 1300 B20R3.275225 Clc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100011216319_100000737910 [0,1,0,0,0,1|0,0,0]=2 1301 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ncc[nH]3 207a_100011216319_100000743867 [0,1,0,0,0,1|0,0,2]=4 1302 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100011216319_100016991755 [0,1,0,0,0,1|0,0,2]=4 1303 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100011216319_100000765167 [0,1,0,0,0,1|2,0,0]=4 1304 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000211000_100000737910 [0,1,0,0,0,1|0,0,0]=2 1305 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000211000_100000737910 [0,1,0,0,0,1|0,0,0]=2 1306 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000211000_100016991755 [0,1,0,0,0,1|0,0,2]=4 1307 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000211000_100000753453 [0,1,0,0,0,1|0,0,2]=4 1308 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000211000_100000765167 [0,1,0,0,0,1|2,0,0]=4 1309 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000211000_100000765167 [0,1,0,0,0,1|2,0,0]=4 1310 B20R3.275225 Clc1ccc(c2c1cccn2)NCC3=NCCN3 34a_100000736140_100000737910 [0,1,0,0,0,1|1,0,0]=3 1311 B20R3.275225 Clc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000212186_100000737910 [0,1,0,0,0,1|1,0,0]=3 1312 B20R3.275225 Clc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000212186_100000737910 [0,1,0,0,0,1|1,0,0]=3 1313 B20R3.275225 Clc1ccc(c2c1cncc2)NCC3=NCCN3 34a_100012183343_100000737910 [0,1,0,0,0,1|1,0,0]=3 1314 B20R3.275225 Clc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100000746469_100000737910 [0,1,0,0,0,1|1,0,0]=3 1315 B20R3.275225 Clc1ncc(c2c1cccc2)OCC3=NCCN3 34a_100000067196_100000737910 [0,1,0,0,0,1|1,0,0]=3 1316 B20R3.275225 Clc1ncc(c2c1cccc2)OCC3=NCCN3 7a_100000067196_100000737910 [0,1,0,0,0,1|1,0,0]=3 1317 B20R3.275225 Clc1ncc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_200010218400 [0,1,0,0,0,1|2,0,0]=4 1318 B20R3.275225 Fc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100011988723_100025796157 [0,1,0,0,0,1|0,0,2]=4 1319 B20R3.275225 Fc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100011988723 [0,1,0,0,0,1|0,0,2]=4 1320 B20R3.275225 Fc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100011988692_100000737910 [0,1,0,0,0,1|0,0,0]=2 1321 B20R3.275225 Fc1ccc(c2c1cccc2)NCc3ncc[nH]3 207a_100011988692_100000743867 [0,1,0,0,0,1|0,0,2]=4 1322 B20R3.275225 Fc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100011988692_100016991755 [0,1,0,0,0,1|0,0,2]=4 1323 B20R3.275225 Fc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100011988692_100000765167 [0,1,0,0,0,1|2,0,0]=4 1324 B20R3.275225 Fc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000100223_100000737910 [0,1,0,0,0,1|0,0,0]=2 1325 B20R3.275225 Fc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000100223_100000737910 [0,1,0,0,0,1|0,0,0]=2 1326 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000100223_100016991755 [0,1,0,0,0,1|0,0,2]=4 1327 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000100223_100000753453 [0,1,0,0,0,1|0,0,2]=4 1328 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000100223_100000765167 [0,1,0,0,0,1|2,0,0]=4 1329 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000100223_100000765167 [0,1,0,0,0,1|2,0,0]=4 1330 B20R3.275225 Fc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100011218216 [0,1,0,0,0,1|0,0,0]=2 1331 B20R3.275225 Fc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100011218216_100000737910 [0,1,0,0,0,1|0,0,0]=2 1332 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100011218216_100016991755 [0,1,0,0,0,1|0,0,2]=4 1333 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100011218216 [0,1,0,0,0,1|0,0,2]=4 1334 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100011218216 [0,1,0,0,0,1|2,0,0]=4 1335 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100011218216_100000765167 [0,1,0,0,0,1|2,0,0]=4 1336 B20R3.275225 Fc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000034212_100000737910 [0,1,0,0,0,1|1,0,0]=3 1337 B20R3.275225 Fc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000034212_100000737910 [0,1,0,0,0,1|1,0,0]=3 1338 B20R3.275225 Fc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100010214461 [0,1,0,0,0,1|1,0,0]=3 1339 B20R3.275225 Fc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100010214461_100000737910 [0,1,0,0,0,1|1,0,0]=3 1340 B20R3.275225 Fc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_100000737910_100010244717 [0,1,0,0,0,1|1,0,0]=3 1341 B20R3.275225 Fc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_100010244717_100000737910 [0,1,0,0,0,1|1,0,0]=3 1342 B20R3.275225 Fc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100000698020_100000737910 [0,1,0,0,0,1|1,0,0]=3 1343 B20R3.275225 Fc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100000737910_100000698020 [0,1,0,0,0,1|1,0,0]=3 1344 B20R3.275225 Fc1ccc(c2c1nccc2)NCC3=NCCN3 34a_102125277280_100000737910 [0,1,0,0,0,1|1,0,0]=3 1345 B20R3.275225 Fc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100010245834 [0,1,0,0,0,1|1,0,0]=3 1346 B20R3.275225 Fc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100010245834_100000737910 [0,1,0,0,0,1|1,0,0]=3 1347 B20R3.275225 Nc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000705857_100000737910 [0,1,0,0,0,1|0,0,0]=2 1348 B20R3.275225 Nc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000705857_100000737910 [0,1,0,0,0,1|0,0,0]=2 1349 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000705857_100016991755 [0,1,0,0,0,1|0,0,2]=4 1350 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000705857_100000753453 [0,1,0,0,0,1|0,0,2]=4 1351 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000705857_100000765167 [0,1,0,0,0,1|2,0,0]=4 1352 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000705857_100000765167 [0,1,0,0,0,1|2,0,0]=4 1353 B20R3.275225 Nc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000766797_100000737910 [0,1,0,0,0,1|0,0,0]=2 1354 B20R3.275225 Nc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100000766797_100016991755 [0,1,0,0,0,1|0,0,2]=4 1355 B20R3.275225 Nc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000766797_100000765167 [0,1,0,0,0,1|2,0,0]=4 1356 B20R3.275225 Nc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000188197_100000737910 [0,1,0,0,0,1|1,0,0]=3 1357 B20R3.275225 Nc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100012360041 [0,1,0,0,0,1|1,0,0]=3 1358 B20R3.275225 Nc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100012360041_100000737910 [0,1,0,0,0,1|1,0,0]=3 1359 B20R3.275225 Nc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_100000737910_200012344021 [0,1,0,0,0,1|1,0,0]=3 1360 B20R3.275225 Nc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_200012344021_100000737910 [0,1,0,0,0,1|1,0,0]=3 1361 B20R3.275225 Nc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100000737910_100011218454 [0,1,0,0,0,1|1,0,0]=3 1362 B20R3.275225 Nc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100011218454_100000737910 [0,1,0,0,0,1|1,0,0]=3 1363 B20R3.275225 Nc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000726955_100000737910 [0,1,0,0,0,1|1,0,0]=3 1364 B20R3.275225 Nc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100000726955 [0,1,0,0,0,1|1,0,0]=3 1365 B20R3.275225 Nc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_200009868590 [0,1,0,0,0,1|1,0,0]=3 1366 B20R3.275225 Nc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010158575 [0,1,0,0,0,1|1,0,0]=3 1367 B20R3.275225 Nc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100010158575_100000737910 [0,1,0,0,0,1|1,0,0]=3 1368 B20R3.275225 Nc1ncc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100010383929 [0,1,0,0,0,1|2,0,0]=4 1369 B20R3.275225 Nc1ncc(c2c1cccn2)SCC3=NCCN3 62a_100010383929_100000737910 [0,1,0,0,0,1|2,0,0]=4 1370 B20R3.275225 O=c1[nH]cc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100009998689 [0,1,0,0,0,1|2,0,0]=4 1371 B20R3.275225 O=c1[nH]cc(c2c1cncc2)SCC3=NCCN3 62a_100000737910_100010090797 [0,1,0,0,0,1|2,0,0]=4 1372 B20R3.275225 O=c1[nH]nc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010235092 [0,1,0,0,0,1|2,0,0]=4 1373 B20R3.275225 Oc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100000705857_100000737910 [0,1,0,0,0,1|0,0,0]=2 1374 B20R3.275225 Oc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100000705857_100016991755 [0,1,0,0,0,1|0,0,2]=4 1375 B20R3.275225 Oc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100000705857_100000765167 [0,1,0,0,0,1|2,0,0]=4 1376 B20R3.275225 Oc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000186334 [0,1,0,0,0,1|0,0,0]=2 1377 B20R3.275225 Oc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100000186334 [0,1,0,0,0,1|0,0,2]=4 1378 B20R3.275225 Oc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100000186334 [0,1,0,0,0,1|2,0,0]=4 1379 B20R3.275225 Oc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100000188197_100000737910 [0,1,0,0,0,1|1,0,0]=3 1380 B20R3.275225 Oc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100011934063 [0,1,0,0,0,1|1,0,0]=3 1381 B20R3.275225 Oc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000067196 [0,1,0,0,0,1|1,0,0]=3 1382 B20R3.275225 Oc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100009816523 [0,1,0,0,0,1|1,0,0]=3 1383 B20R3.331575 O=C(Cc1cccc2c1cccc2)C3=CCCC3 1458a_100000038896_100000188474 [0,1,0,0,0,1|2,0,0]=4 1384 B20R3.4389304 Brc1cccc2c1c(ccc2)NCC3=NCCN3 34a_100010002837_100000737910 [0,1,0,0,0,1|0,0,0]=2 1385 B20R3.4389304 Brc1cccc2c1c(ccc2)NCc3ncc[nH]3 207a_100010002837_100000743867 [0,1,0,0,0,1|0,0,2]=4 1386 B20R3.4389304 Brc1cccc2c1c(ccc2)NCc3ncc[nH]3 34a_100010002837_100016991755 [0,1,0,0,0,1|0,0,2]=4 1387 B20R3.4389304 Brc1cccc2c1c(ccc2)NCc3nnn[nH]3 34a_100010002837_100000765167 [0,1,0,0,0,1|2,0,0]=4 1388 B20R3.4389304 Brc1cccc2c1c(ccc2)OCC3=NCCN3 34a_100010089961_100000737910 [0,1,0,0,0,1|0,0,0]=2 1389 B20R3.4389304 Brc1cccc2c1c(ccc2)OCC3=NCCN3 7a_100010089961_100000737910 [0,1,0,0,0,1|0,0,0]=2 1390 B20R3.4389304 Brc1cccc2c1c(ccc2)OCc3ncc[nH]3 34a_100010089961_100016991755 [0,1,0,0,0,1|0,0,2]=4 1391 B20R3.4389304 Brc1cccc2c1c(ccc2)OCc3ncc[nH]3 7a_100010089961_100000753453 [0,1,0,0,0,1|0,0,2]=4 1392 B20R3.4389304 Brc1cccc2c1c(ccc2)OCc3nnn[nH]3 34a_100010089961_100000765167 [0,1,0,0,0,1|2,0,0]=4 1393 B20R3.4389304 Brc1cccc2c1c(ccc2)OCc3nnn[nH]3 7a_100010089961_100000765167 [0,1,0,0,0,1|2,0,0]=4 1394 B20R3.4389304 Brc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100010243825 [0,1,0,0,0,1|0,0,0]=2 1395 B20R3.4389304 Brc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100010243825_100000737910 [0,1,0,0,0,1|0,0,0]=2 1396 B20R3.4389304 Brc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100010243825_100016991755 [0,1,0,0,0,1|0,0,2]=4 1397 B20R3.4389304 Brc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100016991755_100010243825 [0,1,0,0,0,1|0,0,2]=4 1398 B20R3.4389304 Brc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100000765167_100010243825 [0,1,0,0,0,1|2,0,0]=4 1399 B20R3.4389304 Brc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100010243825_100000765167 [0,1,0,0,0,1|2,0,0]=4 1400 B20R3.4389304 Brc1cccc2c1c(ccn2)OCC3=NCCN3 34a_100010187735_100000737910 [0,1,0,0,0,1|1,0,0]=3 1401 B20R3.4389304 Brc1cccc2c1c(ncc2)OCC3=NCCN3 34a_100010162479_100000737910 [0,1,0,0,0,1|1,0,0]=3 1402 B20R3.4389304 Brc1cncc2c1c(ccc2)NCC3=NCCN3 34a_100000720362_100000737910 [0,1,0,0,0,1|1,0,0]=3 1403 B20R3.4389304 Cc1cccc2c1c(ccc2)NCC3=NCCN3 34a_100009841044_100000737910 [0,1,0,0,0,1|0,0,0]=2 1404 B20R3.4389304 Cc1cccc2c1c(ccc2)NCC3=NCCN3 7a_100009841044_100000737910 [0,1,0,0,0,1|0,0,0]=2 1405 B20R3.4389304 Cc1cccc2c1c(ccc2)NCc3ncc[nH]3 207a_100009841044_100000743867 [0,1,0,0,0,1|0,0,2]=4 1406 B20R3.4389304 Cc1cccc2c1c(ccc2)NCc3ncc[nH]3 34a_100009841044_100016991755 [0,1,0,0,0,1|0,0,2]=4 1407 B20R3.4389304 Cc1cccc2c1c(ccc2)NCc3ncc[nH]3 7a_100009841044_100000753453 [0,1,0,0,0,1|0,0,2]=4 1408 B20R3.4389304 Cc1cccc2c1c(ccc2)NCc3nnn[nH]3 34a_100009841044_100000765167 [0,1,0,0,0,1|2,0,0]=4 1409 B20R3.4389304 Cc1cccc2c1c(ccc2)NCc3nnn[nH]3 7a_100009841044_100000765167 [0,1,0,0,0,1|2,0,0]=4 1410 B20R3.4389304 Cc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100009995290 [0,1,0,0,0,1|0,0,0]=2 1411 B20R3.4389304 Cc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100016991755_100009995290 [0,1,0,0,0,1|0,0,2]=4 1412 B20R3.4389304 Cc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100000765167_100009995290 [0,1,0,0,0,1|2,0,0]=4 1413 B20R3.4389304 Cc1cccc2c1c(ccn2)OCC3=NCCN3 34a_100000087318_100000737910 [0,1,0,0,0,1|1,0,0]=3 1414 B20R3.4389304 Cc1cncc2c1c(ccc2)NCC3=NCCN3 34a_100009845824_100000737910 [0,1,0,0,0,1|1,0,0]=3 1415 B20R3.4389304 Cc1cncc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100009817140 [0,1,0,0,0,1|1,0,0]=3 1416 B20R3.4389304 Clc1cccc2c1c(ccc2)NCC3=NCCN3 34a_100009857565_100000737910 [0,1,0,0,0,1|0,0,0]=2 1417 B20R3.4389304 Clc1cccc2c1c(ccc2)NCc3ncc[nH]3 207a_100009857565_100000743867 [0,1,0,0,0,1|0,0,2]=4 1418 B20R3.4389304 Clc1cccc2c1c(ccc2)NCc3ncc[nH]3 34a_100009857565_100016991755 [0,1,0,0,0,1|0,0,2]=4 1419 B20R3.4389304 Clc1cccc2c1c(ccc2)NCc3nnn[nH]3 34a_100009857565_100000765167 [0,1,0,0,0,1|2,0,0]=4 1420 B20R3.4389304 Clc1cccc2c1c(ncc2)OCC3=NCCN3 34a_200010297299_100000737910 [0,1,0,0,0,1|1,0,0]=3 1421 B20R3.4389304 Clc1ccnc2c1c(ccc2)NCC3=NCCN3 34a_100010263589_100000737910 [0,1,0,0,0,1|1,0,0]=3 1422 B20R3.4389304 Fc1cccc2c1c(ccc2)NCC3=NCCN3 34a_100009878580_100000737910 [0,1,0,0,0,1|0,0,0]=2 1423 B20R3.4389304 Fc1cccc2c1c(ccc2)NCC3=NCCN3 7a_100009878580_100000737910 [0,1,0,0,0,1|0,0,0]=2 1424 B20R3.4389304 Fc1cccc2c1c(ccc2)NCc3ncc[nH]3 207a_100009878580_100000743867 [0,1,0,0,0,1|0,0,2]=4 1425 B20R3.4389304 Fc1cccc2c1c(ccc2)NCc3ncc[nH]3 34a_100009878580_100016991755 [0,1,0,0,0,1|0,0,2]=4 1426 B20R3.4389304 Fc1cccc2c1c(ccc2)NCc3ncc[nH]3 7a_100009878580_100000753453 [0,1,0,0,0,1|0,0,2]=4 1427 B20R3.4389304 Fc1cccc2c1c(ccc2)NCc3nnn[nH]3 34a_100009878580_100000765167 [0,1,0,0,0,1|2,0,0]=4 1428 B20R3.4389304 Fc1cccc2c1c(ccc2)NCc3nnn[nH]3 7a_100009878580_100000765167 [0,1,0,0,0,1|2,0,0]=4 1429 B20R3.4389304 Fc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100010177852 [0,1,0,0,0,1|0,0,0]=2 1430 B20R3.4389304 Fc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100010177852_100000737910 [0,1,0,0,0,1|0,0,0]=2 1431 B20R3.4389304 Fc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100010177852_100016991755 [0,1,0,0,0,1|0,0,2]=4 1432 B20R3.4389304 Fc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100016991755_100010177852 [0,1,0,0,0,1|0,0,2]=4 1433 B20R3.4389304 Fc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100000765167_100010177852 [0,1,0,0,0,1|2,0,0]=4 1434 B20R3.4389304 Fc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100010177852_100000765167 [0,1,0,0,0,1|2,0,0]=4 1435 B20R3.4389304 Fc1cccc2c1c(ncn2)OCC3=NCCN3 34a_100000743385_100000737910 [0,1,0,0,0,1|2,0,0]=4 1436 B20R3.4389304 Fc1cccc2c1c(ncn2)SCC3=NCCN3 62a_100000737910_100000743342 [0,1,0,0,0,1|2,0,0]=4 1437 B20R3.4389304 Fc1cccc2c1c(ncn2)SCC3=NCCN3 62a_100000743342_100000737910 [0,1,0,0,0,1|2,0,0]=4 1438 B20R3.4389304 Nc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100010002837_100000737910 [0,1,0,0,0,1|0,0,0]=2 1439 B20R3.4389304 Nc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100010002837_100016991755 [0,1,0,0,0,1|0,0,2]=4 1440 B20R3.4389304 Nc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100010002837_100000765167 [0,1,0,0,0,1|2,0,0]=4 1441 B20R3.4389304 Nc1cccc2c1c(cnc2)SCC3=NCCN3 62a_100000720362_100000737910 [0,1,0,0,0,1|1,0,0]=3 1442 B20R3.4389304 Nc1cccc2c1c(cnc2)SCC3=NCCN3 62a_100000737910_100000720362 [0,1,0,0,0,1|1,0,0]=3 1443 B20R3.4389304 Nc1nccc2c1c(ccc2)SCC3=NCCN3 62a_100010291105_100000737910 [0,1,0,0,0,1|1,0,0]=3 1444 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCC3=NCCN3 62a_100010171649_100000737910 [0,1,0,0,0,1|2,0,0]=4 1445 B20R3.4389304 O=c1[nH]ccc2c1c(ccc2)OCC3=NCCN3 34a_200010358299_100000737910 [0,1,0,0,0,1|1,0,0]=3 1446 B20R3.4389304 O=c1[nH]ccc2c1c(ccc2)OCC3=NCCN3 7a_200010358299_100000737910 [0,1,0,0,0,1|1,0,0]=3 1447 B20R3.4389304 O=c1[nH]cnc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100000696754 [0,1,0,0,0,1|2,0,0]=4 1448 B20R3.4389304 O=c1ccoc2c1c(ccc2)OCC3=NCCN3 34a_100000040341_100000737910 [0,1,0,0,0,1|1,0,0]=3 1449 B20R3.4389304 O=c1ccoc2c1c(ccc2)OCC3=NCCN3 7a_100000040341_100000737910 [0,1,0,0,0,1|1,0,0]=3 1450 B20R3.4389304 Oc1cccc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100010089961 [0,1,0,0,0,1|0,0,0]=2 1451 B20R3.4389304 Oc1cccc2c1c(ccc2)SCc3ncc[nH]3 62a_100016991755_100010089961 [0,1,0,0,0,1|0,0,2]=4 1452 B20R3.4389304 Oc1cccc2c1c(ccc2)SCc3nnn[nH]3 62a_100000765167_100010089961 [0,1,0,0,0,1|2,0,0]=4 1453 B20R3.4389304 Oc1nccc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100010162479 [0,1,0,0,0,1|1,0,0]=3 1454 B20R3.4389304 [O-][n+]1cccc2c1c(ccc2)NCC3=NCCN3 34a_200000070183_100000737910 [0,1,0,0,0,1|1,0,0]=3 1455 B20R3.4389304 [O-][n+]1cccc2c1c(ccc2)OCC3=NCCN3 34a_100000039631_100000737910 [0,1,0,0,0,1|1,0,0]=3 1456 B20R3.4389304 [O-][n+]1cccc2c1c(ccc2)OCC3=NCCN3 7a_100000039631_100000737910 [0,1,0,0,0,1|1,0,0]=3 1457 B16R1.4229 C=Cc1ccccc1C(=O)CC(=O)NCC 1458a_100011830265_100000183381 [0,0,2,0,0,0|2,0,0]=4 1458 B18R3.3347 c1ccc2c(coc2c1)SCC3=NCCN3 62a_100000737910_100009812202 [0,0,1,1,0,0|2,0,0]=4 1459 B18R3.3347 c1ccc2c(csc2c1)OCC3=NCCN3 34a_100000077758_100000737910 [0,0,1,1,0,0|2,0,0]=4 1460 B18R3.3347 c1ccc2c(csc2c1)OCC3=NCCN3 7a_100000077758_100000737910 [0,0,1,1,0,0|2,0,0]=4 1461 B18R3.3347 c1ccc2c(csc2c1)SCC3=NCCN3 62a_100000737910_100009813928 [0,0,1,1,0,0|2,0,0]=4 1462 B18R3.12824 C(=Cc1cnc2n1CCC2)c3ccccc3 271570a_100102527694_100000717441 [0,0,1,1,0,0|2,0,0]=4 1463 B18R3.17832 C=Cc1ccccc1c2cn3c(n2)CCC3 271570a_100000037480_100015205953 [0,0,1,1,0,0|2,0,0]=4 1464 B18R3.12721 C1=Cc2cccc(c2C1)SCC3=NCCN3 62a_100000737910_100009844718 [0,0,1,1,0,0|1,0,1]=4 1465 B18R3.12721 C1=Cc2cccc(c2C1)SCC3=NCCN3 62a_100009844718_100000737910 [0,0,1,1,0,0|1,0,1]=4 1466 B18R3.12721 c1cc(c2[nH]ccc2c1)SCC3=NCCN3 62a_100000737910_100009813418 [0,0,1,1,0,0|2,0,0]=4 1467 B18R3.12721 c1cc(c2cc[nH]c2c1)OCC3=NCCN3 34a_100000763377_100000737910 [0,0,1,1,0,0|2,0,0]=4 1468 B18R3.12721 c1cc(c2cc[nH]c2c1)SCC3=NCCN3 62a_100000737910_100000685724 [0,0,1,1,0,0|2,0,0]=4 1469 B18R3.12721 c1cc(c2ccoc2c1)SCC3=NCCN3 62a_100000737910_100000756496 [0,0,1,1,0,0|2,0,0]=4 1470 B18R3.12721 c1cc(c2ccsc2c1)NCC3=NCCN3 34a_100020628958_100000737910 [0,0,1,1,0,0|2,0,0]=4 1471 B18R3.12721 c1cc(c2ccsc2c1)OCC3=NCCN3 34a_100000077759_100000737910 [0,0,1,1,0,0|2,0,0]=4 1472 B18R3.12721 c1cc(c2ccsc2c1)OCC3=NCCN3 7a_100000077759_100000737910 [0,0,1,1,0,0|2,0,0]=4 1473 B18R3.12721 c1cc(c2ccsc2c1)SCC3=NCCN3 62a_100000737910_100009816950 [0,0,1,1,0,0|2,0,0]=4 1474 B18R3.12721 c1cc(c2occc2c1)SCC3=NCCN3 62a_100000737910_100011935138 [0,0,1,1,0,0|2,0,0]=4 1475 B18R3.12721 c1cc(c2sccc2c1)SCC3=NCCN3 62a_100000737910_100000766737 [0,0,1,1,0,0|2,0,0]=4 1476 B18R3.2175 c1ccc2c(cccc2c1)CCNC3CC3 34a_100000212008_100011290781 [0,0,1,1,0,0|1,0,1]=4 1477 B18R3.2175 c1ccc2c(cccc2c1)CCNC3CC3 34a_100000751862_100000211595 [0,0,1,1,0,0|1,0,1]=4 1478 B18R3.8440 CCNN=C1Cc2cccc3c2c1ccc3 4a_100000756455_100000029118 [0,0,1,1,0,0|2,0,0]=4 1479 B18R3.14455 c1ccc2c(cccc2c1)CCN3CCC3 269982a_100000754969_100011290781 [0,0,1,1,0,0|1,0,1]=4 1480 B18R3.1019323 O=C(Cc1cccc2c1cccc2)C3CC3 1458a_100000210395_100000188474 [0,0,1,1,0,0|2,0,0]=4 1481 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 11a_100015525214_100000183835 [0,0,1,0,1,0|2,0,0]=4 1482 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 240690a_100015525214_100000183835 [0,0,1,0,1,0|2,0,0]=4 1483 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 527a_100015525214_100000183835 [0,0,1,0,1,0|2,0,0]=4 1484 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 11a_100015525214_100000217546 [0,0,1,0,1,0|2,0,0]=4 1485 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 240690a_100015525214_100000217546 [0,0,1,0,1,0|2,0,0]=4 1486 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 527a_100015525214_100000217546 [0,0,1,0,1,0|2,0,0]=4 1487 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 11a_100015525214_100000741031 [0,0,1,0,1,0|2,0,0]=4 1488 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 240690a_100015525214_100000741031 [0,0,1,0,1,0|2,0,0]=4 1489 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 527a_100015525214_100000741031 [0,0,1,0,1,0|2,0,0]=4 1490 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 11a_100015525214_100000743657 [0,0,1,0,1,0|2,0,0]=4 1491 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 240690a_100015525214_100000743657 [0,0,1,0,1,0|2,0,0]=4 1492 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 527a_100015525214_100000743657 [0,0,1,0,1,0|2,0,0]=4 1493 B16R2.29551 CCNC(=O)Cc1cccc2c1cc[nH]2 11a_100015525214_100000094506 [0,0,1,0,1,0|2,0,0]=4 1494 B16R2.29551 CCNC(=O)Cc1cccc2c1cc[nH]2 527a_100015525214_100000094506 [0,0,1,0,1,0|2,0,0]=4 1495 B16R2.29551 CCNC(=O)Cc1cccc2c1cco2 11a_100015525214_100000077588 [0,0,1,0,1,0|2,0,0]=4 1496 B16R2.29551 CCNC(=O)Cc1cccc2c1cco2 240690a_100015525214_100000077588 [0,0,1,0,1,0|2,0,0]=4 1497 B16R2.29551 CCNC(=O)Cc1cccc2c1cco2 527a_100015525214_100000077588 [0,0,1,0,1,0|2,0,0]=4 1498 B16R2.160202 CCCC(=O)c1cccc2c1cccc2 1458a_100000210949_100000210303 [0,0,1,0,1,0|2,0,0]=4 1499 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 11a_100015525214_100000210949 [0,0,1,0,1,0|1,0,0]=3 1500 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 240690a_100015525214_100000210949 [0,0,1,0,1,0|1,0,0]=3 1501 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 527a_100015525214_100000210949 [0,0,1,0,1,0|1,0,0]=3 1502 B16R2.160202 CCNC(=O)c1cccc2c1cccn2 11a_100015525214_100000241005 [0,0,1,0,1,0|2,0,0]=4 1503 B16R2.160202 CCNC(=O)c1cccc2c1cccn2 240690a_100015525214_100000241005 [0,0,1,0,1,0|2,0,0]=4 1504 B16R2.160202 CCNC(=O)c1cccc2c1cccn2 527a_100015525214_100000241005 [0,0,1,0,1,0|2,0,0]=4 1505 B16R2.160202 CCNC(=O)c1cccc2c1ccnc2 11a_100015525214_100011290933 [0,0,1,0,1,0|2,0,0]=4 1506 B16R2.160202 CCNC(=O)c1cccc2c1ccnc2 240690a_100015525214_100011290933 [0,0,1,0,1,0|2,0,0]=4 1507 B16R2.160202 CCNC(=O)c1cccc2c1ccnc2 527a_100015525214_100011290933 [0,0,1,0,1,0|2,0,0]=4 1508 B16R2.160202 CCNC(=O)c1cccc2c1cncc2 11a_100015525214_100011356482 [0,0,1,0,1,0|2,0,0]=4 1509 B16R2.160202 CCNC(=O)c1cccc2c1cncc2 240690a_100015525214_100011356482 [0,0,1,0,1,0|2,0,0]=4 1510 B16R2.160202 CCNC(=O)c1cccc2c1cncc2 527a_100015525214_100011356482 [0,0,1,0,1,0|2,0,0]=4 1511 B16R2.160202 CCNC(=O)c1cccc2c1nccc2 11a_100015525214_100000195423 [0,0,1,0,1,0|2,0,0]=4 1512 B16R2.160202 CCNC(=O)c1cccc2c1nccc2 240690a_100015525214_100000195423 [0,0,1,0,1,0|2,0,0]=4 1513 B16R2.160202 CCNC(=O)c1cccc2c1nccc2 527a_100015525214_100000195423 [0,0,1,0,1,0|2,0,0]=4 1514 B16R2.160202 CCNC(C)c1cccc2c1cccc2 269862a_100015525214_100000210126 [0,0,1,0,1,0|1,0,1]=4 1515 B16R2.160202 CCN[C@@H](C)c1cccc2c1cccc2 2230a_100011830313_100000210202 [0,0,1,0,1,0|1,0,1]=4 1516 B16R2.160202 CNNC(=O)c1cccc2c1cccc2 22a_100016993582_100000210949 [0,0,1,0,1,0|2,0,0]=4 1517 B16R3.1817 c1ccc2c(cccc2c1)NC3CC3 34a_100000185869_100000211595 [0,0,0,0,2,0|1,0,1]=4 1518 B16R3.1817 c1ccc2c(cccc2c1)OC3CC3 34a_100000210388_100000211595 [0,0,0,0,2,0|1,0,1]=4 1519 B18R2.2114 C=CCN(CC1=NCCN1)Cc2ccccc2 269982a_100000196212_100000737910 [0,0,1,0,0,1|1,0,1]=4 1520 B18R2.14840 C=CCC(OCC1=NCCN1)c2ccccc2 34a_100000687291_100000737910 [0,0,1,0,0,1|0,0,2]=4 1521 B18R2.14840 C=CCC(OCC1=NCCN1)c2ccccc2 7a_100000687291_100000737910 [0,0,1,0,0,1|0,0,2]=4 1522 B20R3.6261 c1cc(c2cccnc2c1)COCC3=NCCN3 34a_100000709871_100000737910 [0,0,0,0,0,2|1,0,0]=3 1523 B20R3.6261 c1cc(c2ccncc2c1)CSCC3=NCCN3 62a_100000737910_100016989825 [0,0,0,0,0,2|1,0,0]=3 1524 B20R3.6261 c1cc(c2ccncc2c1)CSCC3=NCCN3 62a_100016989825_100000737910 [0,0,0,0,0,2|1,0,0]=3 1525 B20R3.6261 c1ccc2c(cccc2c1)CCSc3ncc[nH]3 62a_100011290781_100025796157 [0,0,0,0,0,2|0,0,2]=4 1526 B20R3.6261 c1ccc2c(cccc2c1)CCSc3ncc[nH]3 62a_100025796157_100011290781 [0,0,0,0,0,2|0,0,2]=4 1527 B20R3.6261 c1ccc2c(cccc2c1)CNCC3=NCCN3 34a_100000753325_100000737910 [0,0,0,0,0,2|0,0,0]=2 1528 B20R3.6261 c1ccc2c(cccc2c1)CNCc3ncc[nH]3 207a_100000753325_100000743867 [0,0,0,0,0,2|0,0,2]=4 1529 B20R3.6261 c1ccc2c(cccc2c1)CNCc3ncc[nH]3 207a_100000754540_100000210074 [0,0,0,0,0,2|0,0,2]=4 1530 B20R3.6261 c1ccc2c(cccc2c1)CNCc3ncc[nH]3 270004a_100000754540_100000210074 [0,0,0,0,0,2|0,0,2]=4 1531 B20R3.6261 c1ccc2c(cccc2c1)CNCc3ncc[nH]3 34a_100000753325_100016991755 [0,0,0,0,0,2|0,0,2]=4 1532 B20R3.6261 c1ccc2c(cccc2c1)CNCc3nnc[nH]3 2230a_200015183720_100011261445 [0,0,0,0,0,2|1,0,1]=4 1533 B20R3.6261 c1ccc2c(cccc2c1)CNCc3nnn[nH]3 34a_100000753325_100000765167 [0,0,0,0,0,2|2,0,0]=4 1534 B20R3.6261 c1ccc2c(cccc2c1)CNN=C3CCCC3 4a_100025742020_100000210133 [0,0,0,0,0,2|2,0,0]=4 1535 B20R3.6261 c1ccc2c(cccc2c1)COCC3=NCCN3 34a_100011216843_100000737910 [0,0,0,0,0,2|0,0,0]=2 1536 B20R3.6261 c1ccc2c(cccc2c1)COCC3=NCCN3 7a_100011216843_100000737910 [0,0,0,0,0,2|0,0,0]=2 1537 B20R3.6261 c1ccc2c(cccc2c1)COC[C@H]3CCCN3 34a_100000745186_100011261445 [0,0,0,0,0,2|1,0,1]=4 1538 B20R3.6261 c1ccc2c(cccc2c1)COCc3ncc[nH]3 34a_100011216843_100016991755 [0,0,0,0,0,2|0,0,2]=4 1539 B20R3.6261 c1ccc2c(cccc2c1)COCc3ncc[nH]3 7a_100011216843_100000753453 [0,0,0,0,0,2|0,0,2]=4 1540 B20R3.6261 c1ccc2c(cccc2c1)COCc3nnn[nH]3 34a_100011216843_100000765167 [0,0,0,0,0,2|2,0,0]=4 1541 B20R3.6261 c1ccc2c(cccc2c1)COCc3nnn[nH]3 7a_100011216843_100000765167 [0,0,0,0,0,2|2,0,0]=4 1542 B20R3.6261 c1ccc2c(cccc2c1)CSCC3=NCCN3 62a_100000737910_100000188474 [0,0,0,0,0,2|0,0,0]=2 1543 B20R3.6261 c1ccc2c(cccc2c1)CSCC3=NCCN3 62a_100011261445_100000737910 [0,0,0,0,0,2|0,0,0]=2 1544 B20R3.6261 c1ccc2c(cccc2c1)CSCc3ncc[nH]3 62a_100011261445_100016991755 [0,0,0,0,0,2|0,0,2]=4 1545 B20R3.6261 c1ccc2c(cccc2c1)CSCc3ncc[nH]3 62a_100016991755_100000188474 [0,0,0,0,0,2|0,0,2]=4 1546 B20R3.6261 c1ccc2c(cccc2c1)CSCc3nnn[nH]3 62a_100000765167_100000188474 [0,0,0,0,0,2|2,0,0]=4 1547 B20R3.6261 c1ccc2c(cccc2c1)CSCc3nnn[nH]3 62a_100011261445_100000765167 [0,0,0,0,0,2|2,0,0]=4 1548 B20R3.6261 c1ccc2c(cccc2c1)OCCc3nnn[nH]3 7a_100000210388_100000031946 [0,0,0,0,0,2|2,0,0]=4 1549 B20R3.6261 c1ccc2c(cccc2c1)SCCc3nnn[nH]3 62a_100000031946_100000210605 [0,0,0,0,0,2|2,0,0]=4 1550 B20R3.6261 c1ccc2c(ccnc2c1)CSCC3=NCCN3 62a_100000737910_100015192512 [0,0,0,0,0,2|1,0,0]=3 1551 B20R3.6261 c1ccc2c(ccnc2c1)CSCC3=NCCN3 62a_100015192512_100000737910 [0,0,0,0,0,2|1,0,0]=3 1552 B20R3.6261 c1ccc2c(nccc2c1)CSCC3=NCCN3 62a_100000033776_100000737910 [0,0,0,0,0,2|1,0,0]=3 1553 B20R3.6261 c1ccc2c(nccc2c1)CSCC3=NCCN3 62a_100000737910_100000033776 [0,0,0,0,0,2|1,0,0]=3 1554 B20R3.6261 c1cnc2c(cccc2c1)COCC3=NCCN3 34a_100011303629_100000737910 [0,0,0,0,0,2|1,0,0]=3 1555 B20R3.6261 c1cnc2c(cccc2c1)CSCC3=NCCN3 62a_100000737910_100000241032 [0,0,0,0,0,2|1,0,0]=3