0 B18R3.36580 C(=C1CCCC1)c2cc3ccccc3cn2 271570a_100010378317_100000047361 [0,0,0,0,0,0|3,0,1]=4 1 B18R3.36580 C(=C1CCCC1)c2ccc3ccccc3c2 271570a_100010378317_100000233703 [0,0,0,0,0,0|2,0,1]=3 2 B18R3.36580 C(=C1CCCC1)c2ccc3ccccc3n2 271570a_100010378317_100011291633 [0,0,0,0,0,0|3,0,1]=4 3 B18R3.36580 C(=C1CCCC1)c2ccc3cccnc3c2 271570a_100010378317_100009816655 [0,0,0,0,0,0|3,0,1]=4 4 B18R3.36580 C(=C1CCCC1)c2ccc3ccncc3c2 271570a_100010378317_100000686496 [0,0,0,0,0,0|3,0,1]=4 5 B18R3.36580 C(=C1CCCC1)c2ccc3cnccc3c2 271570a_100010378317_100009816743 [0,0,0,0,0,0|3,0,1]=4 6 B18R3.36580 C(=C1CCCC1)c2ccc3ncccc3c2 271570a_100010378317_100000754243 [0,0,0,0,0,0|3,0,1]=4 7 B18R3.36580 C(=C1CCCC1)c2cnc3ccccc3c2 271570a_100010378317_100000737414 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.36580 c1cc2cc(ccc2cn1)CN3CCCC3 2230a_100000188435_100020605334 [0,0,0,0,0,0|4,0,0]=4 9 B18R3.36580 c1cc2cc(ccc2cn1)CN3CCCC3 269982a_100000188435_100020605334 [0,0,0,0,0,0|4,0,0]=4 10 B18R3.36580 c1cc2cc(ccc2cn1)CN3CCCC3 270004a_100000188435_100000068276 [0,0,0,0,0,0|4,0,0]=4 11 B18R3.36580 c1cc2cc(ccc2cn1)Sc3ncc[nH]3 62a_100009816743_100025796157 [0,0,0,0,0,0|2,0,2]=4 12 B18R3.36580 c1cc2cc(ccc2cn1)Sc3ncc[nH]3 62a_100025796157_100009816743 [0,0,0,0,0,0|2,0,2]=4 13 B18R3.36580 c1cc2ccc(cc2cn1)Sc3ncc[nH]3 62a_100000686496_100025796157 [0,0,0,0,0,0|2,0,2]=4 14 B18R3.36580 c1cc2ccc(cc2cn1)Sc3ncc[nH]3 62a_100025796157_100000686496 [0,0,0,0,0,0|2,0,2]=4 15 B18R3.36580 c1ccc2c(c1)CCN(C2)CC3=NCCN3 269982a_100000188457_100000737910 [0,0,0,0,0,0|1,0,3]=4 16 B18R3.36580 c1ccc2c(c1)CCN(C2)CC3=NCCN3 34a_100000188457_100000737910 [0,0,0,0,0,0|1,0,3]=4 17 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCCC3 2230a_100000188435_100011216711 [0,0,0,0,0,0|3,0,0]=3 18 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCCC3 269982a_100000188435_100011216711 [0,0,0,0,0,0|3,0,0]=3 19 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCCC3 270004a_100000188435_100000211584 [0,0,0,0,0,0|3,0,0]=3 20 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCSC3 2230a_100011215254_100011216711 [0,0,0,0,0,0|4,0,0]=4 21 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCSC3 269982a_100011215254_100011216711 [0,0,0,0,0,0|4,0,0]=4 22 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCSC3 270004a_100011215254_100000211584 [0,0,0,0,0,0|4,0,0]=4 23 B18R3.36580 c1ccc2cc(ccc2c1)NC3CCCC3 34a_100000211940_100000179811 [0,0,0,0,0,0|3,0,1]=4 24 B18R3.36580 c1ccc2cc(ccc2c1)NC3CCCC3 7a_100000211940_100000179811 [0,0,0,0,0,0|3,0,1]=4 25 B18R3.36580 c1ccc2cc(ccc2c1)OC3CCCC3 34a_100000185828_100000179811 [0,0,0,0,0,0|3,0,1]=4 26 B18R3.36580 c1ccc2cc(ccc2c1)OC3CCCC3 7a_100000185828_100000179811 [0,0,0,0,0,0|3,0,1]=4 27 B18R3.36580 c1ccc2cc(ccc2c1)SC3CCCC3 62a_100011217020_100000233703 [0,0,0,0,0,0|3,0,1]=4 28 B18R3.36580 c1ccc2cc(ccc2c1)Sc3c[nH]cn3 62a_100000756875_100000233703 [0,0,0,0,0,0|3,0,1]=4 29 B18R3.36580 c1ccc2cc(ccc2c1)Sc3c[nH]nn3 62a_100009819707_100000233703 [0,0,0,0,0,0|4,0,0]=4 30 B18R3.36580 c1ccc2cc(ccc2c1)Sc3cc[nH]n3 62a_100000062575_100000233703 [0,0,0,0,0,0|3,0,1]=4 31 B18R3.36580 c1ccc2cc(ccc2c1)Sc3ccon3 62a_100009818083_100000233703 [0,0,0,0,0,0|3,0,1]=4 32 B18R3.36580 c1ccc2cc(ccc2c1)Sc3ccsn3 62a_100009818082_100000233703 [0,0,0,0,0,0|3,0,1]=4 33 B18R3.36580 c1ccc2cc(ccc2c1)Sc3cscn3 62a_100000751502_100000233703 [0,0,0,0,0,0|3,0,1]=4 34 B18R3.36580 c1ccc2cc(ccc2c1)Sc3nc[nH]n3 62a_100000761765_100000233703 [0,0,0,0,0,0|2,0,2]=4 35 B18R3.36580 c1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100000233703 [0,0,0,0,0,0|1,0,2]=3 36 B18R3.36580 c1ccc2cc(ccc2c1)Sc3ncco3 62a_100011787736_100000233703 [0,0,0,0,0,0|2,0,2]=4 37 B18R3.36580 c1ccc2cc(ccc2c1)Sc3nccs3 62a_100000211983_100000233703 [0,0,0,0,0,0|2,0,2]=4 38 B18R3.36580 c1ccc2cc(ccc2c1)Sc3ncns3 62a_100000693119_100000233703 [0,0,0,0,0,0|3,0,1]=4 39 B18R3.36580 c1ccc2cc(ccc2c1)Sc3nncs3 62a_100000739804_100000233703 [0,0,0,0,0,0|3,0,1]=4 40 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 2230a_100000188435_100009869231 [0,0,0,0,0,0|4,0,0]=4 41 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 269982a_100000188435_100009869231 [0,0,0,0,0,0|4,0,0]=4 42 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 270004a_100000188435_100000059776 [0,0,0,0,0,0|4,0,0]=4 43 B18R3.36580 c1ccc2cc(ncc2c1)Sc3ncc[nH]3 62a_100009816522_100025796157 [0,0,0,0,0,0|2,0,2]=4 44 B18R3.36580 c1ccc2cc(ncc2c1)Sc3ncc[nH]3 62a_100025796157_100000047361 [0,0,0,0,0,0|2,0,2]=4 45 B18R3.36580 c1ccc2nc(ccc2c1)CN3CCCC3 2230a_100000188435_100000737579 [0,0,0,0,0,0|4,0,0]=4 46 B18R3.36580 c1ccc2nc(ccc2c1)CN3CCCC3 270004a_100000188435_100000759686 [0,0,0,0,0,0|4,0,0]=4 47 B18R3.36580 c1ccc2nc(ccc2c1)Sc3ncc[nH]3 62a_100011291633_100025796157 [0,0,0,0,0,0|2,0,2]=4 48 B18R3.36580 c1ccc2nc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100011291633 [0,0,0,0,0,0|2,0,2]=4 49 B18R3.36580 c1ccc2ncc(cc2c1)CN3CCCC3 270004a_100000188435_100000750898 [0,0,0,0,0,0|4,0,0]=4 50 B18R3.36580 c1ccc2ncc(cc2c1)Sc3ncc[nH]3 62a_100025796157_100000737414 [0,0,0,0,0,0|2,0,2]=4 51 B18R3.36580 c1cnc2cc(ccc2c1)CN3CCCC3 270004a_100000188435_100011784159 [0,0,0,0,0,0|4,0,0]=4 52 B18R3.36580 c1cnc2cc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100009816655 [0,0,0,0,0,0|2,0,2]=4 53 B18R3.36580 c1cnc2ccc(cc2c1)CN3CCCC3 2230a_100000188435_100000703657 [0,0,0,0,0,0|4,0,0]=4 54 B18R3.36580 c1cnc2ccc(cc2c1)CN3CCCC3 269982a_100000188435_100000703657 [0,0,0,0,0,0|4,0,0]=4 55 B18R3.36580 c1cnc2ccc(cc2c1)CN3CCCC3 270004a_100000188435_100000211315 [0,0,0,0,0,0|4,0,0]=4 56 B18R3.36580 c1cnc2ccc(cc2c1)Sc3ncc[nH]3 62a_100011215947_100025796157 [0,0,0,0,0,0|2,0,2]=4 57 B18R3.36580 c1cnc2ccc(cc2c1)Sc3ncc[nH]3 62a_100025796157_100011215947 [0,0,0,0,0,0|2,0,2]=4 58 B19R3.292 Brc1cc2ccccc2cc1C=C3CCCC3 271570a_100010378317_200010169544 [0,1,0,0,0,0|2,0,1]=4 59 B19R3.292 Brc1cc2ccccc2cc1CN3CCCC3 26a_100000188435_100009817189 [0,1,0,0,0,0|3,0,0]=4 60 B19R3.292 Brc1cc2ccccc2cc1Sc3ncc[nH]3 62a_100025796157_200010169544 [0,1,0,0,0,0|1,0,2]=4 61 B19R3.292 Brc1cc2ccccc2cc1Sc3ncc[nH]3 62a_200010169544_100025796157 [0,1,0,0,0,0|1,0,2]=4 62 B19R3.292 Clc1cc2ccccc2cc1C=C3CCCC3 271570a_100010378317_100010152806 [0,1,0,0,0,0|2,0,1]=4 63 B19R3.292 Clc1cc2ccccc2cc1Sc3ncc[nH]3 62a_100010152806_100025796157 [0,1,0,0,0,0|1,0,2]=4 64 B19R3.292 Clc1cc2ccccc2cc1Sc3ncc[nH]3 62a_100025796157_100010152806 [0,1,0,0,0,0|1,0,2]=4 65 B19R3.292 Nc1cc2ccccc2cc1C=C3CCCC3 271570a_100010378317_100009991566 [0,1,0,0,0,0|2,0,1]=4 66 B19R3.292 Nc1cc2ccccc2cc1Sc3ncc[nH]3 62a_100009991566_100025796157 [0,1,0,0,0,0|1,0,2]=4 67 B19R3.292 Nc1cc2ccccc2cc1Sc3ncc[nH]3 62a_100025796157_100009991566 [0,1,0,0,0,0|1,0,2]=4 68 B19R3.292 Oc1cc2ccccc2cc1C=C3CCCC3 271570a_100010378317_100009817189 [0,1,0,0,0,0|2,0,1]=4 69 B19R3.292 Oc1cc2ccccc2cc1Sc3ncc[nH]3 62a_100025796157_100009817189 [0,1,0,0,0,0|1,0,2]=4 70 B19R3.8809 C[C@@H]1CCCN1Cc2ccc3ccccc3c2 2230a_100015189458_100011216711 [0,1,0,0,0,0|3,0,0]=4 71 B19R3.8809 C[C@@H]1CCCN1Cc2ccc3ccccc3c2 269982a_100015189458_100011216711 [0,1,0,0,0,0|3,0,0]=4 72 B19R3.8809 C[C@@H]1CCCN1Cc2ccc3ccccc3c2 270004a_100015189458_100000211584 [0,1,0,0,0,0|3,0,0]=4 73 B19R3.8809 C[C@@H]1CCCN1Cc2ccc3ccccc3c2 34a_100015189458_100011216711 [0,1,0,0,0,0|3,0,0]=4 74 B19R3.8809 C[C@H]1CCCN1Cc2ccc3ccccc3c2 2230a_100020605311_100011216711 [0,1,0,0,0,0|3,0,0]=4 75 B19R3.8809 C[C@H]1CCCN1Cc2ccc3ccccc3c2 269982a_100020605311_100011216711 [0,1,0,0,0,0|3,0,0]=4 76 B19R3.8809 C[C@H]1CCCN1Cc2ccc3ccccc3c2 270004a_100020605311_100000211584 [0,1,0,0,0,0|3,0,0]=4 77 B19R3.8809 Cn1ccnc1Sc2ccc3ccccc3c2 62a_100000707724_100000233703 [0,1,0,0,0,0|1,0,2]=4 78 B19R3.8809 Cn1ncnc1Sc2ccc3ccccc3c2 62a_100000732653_100000233703 [0,1,0,0,0,0|2,0,1]=4 79 B19R3.50998 C[C@@H]1CCN(C1)Cc2ccc3ccccc3c2 2230a_100016987628_100011216711 [0,1,0,0,0,0|3,0,0]=4 80 B19R3.50998 C[C@@H]1CCN(C1)Cc2ccc3ccccc3c2 269982a_100016987628_100011216711 [0,1,0,0,0,0|3,0,0]=4 81 B19R3.50998 C[C@@H]1CCN(C1)Cc2ccc3ccccc3c2 270004a_100016987628_100000211584 [0,1,0,0,0,0|3,0,0]=4 82 B19R3.50998 C[C@@H]1CCN(C1)Cc2ccc3ccccc3c2 34a_100016987628_100011216711 [0,1,0,0,0,0|3,0,0]=4 83 B19R3.50998 Cc1c[nH]c(n1)Sc2ccc3ccccc3c2 62a_100161115468_100000233703 [0,1,0,0,0,0|1,0,2]=4 84 B19R3.50998 Cc1nc(no1)Cc2ccc3ccccc3c2 270196a_100011215304_100000070787 [0,1,0,0,0,0|1,0,2]=4 85 B19R3.50998 Cc1noc(n1)Cc2ccc3ccccc3c2 270196a_100000212224_100000181716 [0,1,0,0,0,0|2,0,1]=4 86 B19R3.50998 F[C@H]1CCN(C1)Cc2ccc3ccccc3c2 2230a_100015203821_100011216711 [0,1,0,0,0,0|3,0,0]=4 87 B19R3.50998 F[C@H]1CCN(C1)Cc2ccc3ccccc3c2 269982a_100015203821_100011216711 [0,1,0,0,0,0|3,0,0]=4 88 B19R3.50998 F[C@H]1CCN(C1)Cc2ccc3ccccc3c2 270004a_100015203821_100000211584 [0,1,0,0,0,0|3,0,0]=4 89 B19R3.50998 F[C@H]1CCN(C1)Cc2ccc3ccccc3c2 34a_100015203821_100011216711 [0,1,0,0,0,0|3,0,0]=4 90 B19R3.50998 OC1CCN(C1)Cc2ccc3ccccc3c2 2230a_100011215560_100011216711 [0,1,0,0,0,0|3,0,0]=4 91 B19R3.50998 OC1CCN(C1)Cc2ccc3ccccc3c2 269982a_100011215560_100011216711 [0,1,0,0,0,0|3,0,0]=4 92 B19R3.50998 OC1CCN(C1)Cc2ccc3ccccc3c2 270004a_100011215560_100000211584 [0,1,0,0,0,0|3,0,0]=4 93 B19R3.50998 Oc1nc(no1)Cc2ccc3ccccc3c2 270196a_100011215304_100015183105 [0,1,0,0,0,0|1,0,2]=4 94 B19R3.54903 Brc1ccc2ccc(cc2c1)CN3CCCC3 26a_100000188435_100009816537 [0,1,0,0,0,0|3,0,0]=4 95 B19R3.54903 Brc1ccc2ccc(cc2c1)CN3CCCC3 270004a_100000188435_100010200085 [0,1,0,0,0,0|3,0,0]=4 96 B19R3.54903 Nc1ccc2ccc(cc2c1)C=C3CCCC3 271570a_100010378317_100010090036 [0,1,0,0,0,0|2,0,1]=4 97 B19R3.54903 Nc1ccc2ccc(cc2c1)Sc3ncc[nH]3 62a_100010090036_100025796157 [0,1,0,0,0,0|1,0,2]=4 98 B19R3.54903 Nc1ccc2ccc(cc2c1)Sc3ncc[nH]3 62a_100025796157_100010090036 [0,1,0,0,0,0|1,0,2]=4 99 B19R3.54903 Oc1ccc2ccc(cc2c1)C=C3CCCC3 271570a_100010378317_100009816537 [0,1,0,0,0,0|2,0,1]=4 100 B19R3.54903 Oc1ccc2ccc(cc2c1)Sc3ncc[nH]3 62a_100025796157_100009816537 [0,1,0,0,0,0|1,0,2]=4 101 B19R3.55014 Brc1ccc2cc(ccc2c1)C=C3CCCC3 271570a_100010378317_100012344972 [0,1,0,0,0,0|2,0,1]=4 102 B19R3.55014 Brc1ccc2cc(ccc2c1)CN3CCCC3 2230a_100000188435_100012356510 [0,1,0,0,0,0|3,0,0]=4 103 B19R3.55014 Brc1ccc2cc(ccc2c1)CN3CCCC3 269982a_100000188435_100012356510 [0,1,0,0,0,0|3,0,0]=4 104 B19R3.55014 Brc1ccc2cc(ccc2c1)CN3CCCC3 26a_100000188435_100000185455 [0,1,0,0,0,0|3,0,0]=4 105 B19R3.55014 Brc1ccc2cc(ccc2c1)CN3CCCC3 270004a_100000188435_100012356508 [0,1,0,0,0,0|3,0,0]=4 106 B19R3.55014 Brc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100012344972_100025796157 [0,1,0,0,0,0|1,0,2]=4 107 B19R3.55014 Brc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100012344972 [0,1,0,0,0,0|1,0,2]=4 108 B19R3.55014 Fc1ccc2cc(ccc2c1)C=C3CCCC3 271570a_100010378317_100009817052 [0,1,0,0,0,0|2,0,1]=4 109 B19R3.55014 Fc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100009817052_100025796157 [0,1,0,0,0,0|1,0,2]=4 110 B19R3.55014 Fc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100009817052 [0,1,0,0,0,0|1,0,2]=4 111 B19R3.55014 Nc1ccc2cc(ccc2c1)C=C3CCCC3 271570a_100010378317_100000185457 [0,1,0,0,0,0|2,0,1]=4 112 B19R3.55014 Nc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100000185457_100025796157 [0,1,0,0,0,0|1,0,2]=4 113 B19R3.55014 Nc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100000185457 [0,1,0,0,0,0|1,0,2]=4 114 B19R3.55014 Oc1ccc2cc(ccc2c1)C=C3CCCC3 271570a_100010378317_100000185455 [0,1,0,0,0,0|2,0,1]=4 115 B19R3.55014 Oc1ccc2cc(ccc2c1)CN3CCCC3 270004a_100000188435_100000067190 [0,1,0,0,0,0|3,0,0]=4 116 B19R3.55014 Oc1ccc2cc(ccc2c1)Sc3ncc[nH]3 62a_100025796157_100000185455 [0,1,0,0,0,0|1,0,2]=4 117 B19R3.152263 Nc1cccc2c1ccc(c2)C=C3CCCC3 271570a_100010378317_100010090037 [0,1,0,0,0,0|2,0,1]=4 118 B19R3.152263 Nc1cccc2c1ccc(c2)Sc3ncc[nH]3 62a_100010090037_100025796157 [0,1,0,0,0,0|1,0,2]=4 119 B19R3.152263 Nc1cccc2c1ccc(c2)Sc3ncc[nH]3 62a_100025796157_100010090037 [0,1,0,0,0,0|1,0,2]=4 120 B19R3.152263 Oc1cccc2c1ccc(c2)C=C3CCCC3 271570a_100010378317_100010202202 [0,1,0,0,0,0|2,0,1]=4 121 B19R3.152263 Oc1cccc2c1ccc(c2)Sc3ncc[nH]3 62a_100025796157_100010202202 [0,1,0,0,0,0|1,0,2]=4 122 B19R3.171666 Brc1cc(cc2c1cccc2)CN3CCCC3 26a_100000188435_100010001680 [0,1,0,0,0,0|3,0,0]=4 123 B19R3.171666 Nc1cc(cc2c1cccc2)C=C3CCCC3 271570a_100010378317_100010171453 [0,1,0,0,0,0|2,0,1]=4 124 B19R3.171666 Nc1cc(cc2c1cccc2)Sc3ncc[nH]3 62a_100010171453_100025796157 [0,1,0,0,0,0|1,0,2]=4 125 B19R3.171666 Nc1cc(cc2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100010171453 [0,1,0,0,0,0|1,0,2]=4 126 B19R3.171666 Oc1cc(cc2c1cccc2)C=C3CCCC3 271570a_100010378317_100010089979 [0,1,0,0,0,0|2,0,1]=4 127 B19R3.171666 Oc1cc(cc2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100010089979 [0,1,0,0,0,0|1,0,2]=4 128 B19R3.2183900 Brc1c(ccc2c1cccc2)C=C3CCCC3 271570a_100010378317_200010089984 [0,1,0,0,0,0|2,0,1]=4 129 B19R3.2183900 Brc1c(ccc2c1cccc2)CN3CCCC3 2230a_100000188435_100009813938 [0,1,0,0,0,0|3,0,0]=4 130 B19R3.2183900 Brc1c(ccc2c1cccc2)CN3CCCC3 269982a_100000188435_100009813938 [0,1,0,0,0,0|3,0,0]=4 131 B19R3.2183900 Brc1c(ccc2c1cccc2)CN3CCCC3 26a_100000188435_100000183829 [0,1,0,0,0,0|3,0,0]=4 132 B19R3.2183900 Brc1c(ccc2c1cccc2)CN3CCCC3 270004a_100000188435_100009813496 [0,1,0,0,0,0|3,0,0]=4 133 B19R3.2183900 Brc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100025796157_200010089984 [0,1,0,0,0,0|1,0,2]=4 134 B19R3.2183900 Brc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_200010089984_100025796157 [0,1,0,0,0,0|1,0,2]=4 135 B19R3.2183900 Cc1c(ccc2c1cccc2)C=C3CCCC3 271570a_100010378317_100010221197 [0,1,0,0,0,0|2,0,1]=4 136 B19R3.2183900 Cc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100010221197_100025796157 [0,1,0,0,0,0|1,0,2]=4 137 B19R3.2183900 Cc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100010221197 [0,1,0,0,0,0|1,0,2]=4 138 B19R3.2183900 Fc1c(ccc2c1cccc2)C=C3CCCC3 271570a_100010378317_100009832041 [0,1,0,0,0,0|2,0,1]=4 139 B19R3.2183900 Fc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100009832041_100025796157 [0,1,0,0,0,0|1,0,2]=4 140 B19R3.2183900 Fc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100009832041 [0,1,0,0,0,0|1,0,2]=4 141 B19R3.2183900 Nc1c(ccc2c1cccc2)C=C3CCCC3 271570a_100010378317_100009817101 [0,1,0,0,0,0|2,0,1]=4 142 B19R3.2183900 Nc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100009817101_100025796157 [0,1,0,0,0,0|1,0,2]=4 143 B19R3.2183900 Oc1c(ccc2c1cccc2)C=C3CCCC3 271570a_100010378317_100009996032 [0,1,0,0,0,0|2,0,1]=4 144 B19R3.2183900 Oc1c(ccc2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100009996032 [0,1,0,0,0,0|1,0,2]=4 145 B19R3.2991659 Brc1cccc2c1cc(cc2)CN3CCCC3 26a_100000188435_100010169565 [0,1,0,0,0,0|3,0,0]=4 146 B19R3.2991659 Cc1cccc2c1cc(cc2)C=C3CCCC3 271570a_100010378317_100010089936 [0,1,0,0,0,0|2,0,1]=4 147 B19R3.2991659 Cc1cccc2c1cc(cc2)Sc3ncc[nH]3 62a_100025796157_100010089936 [0,1,0,0,0,0|1,0,2]=4 148 B19R3.2991659 Nc1cccc2c1cc(cc2)C=C3CCCC3 271570a_100010378317_100010090012 [0,1,0,0,0,0|2,0,1]=4 149 B19R3.2991659 Nc1cccc2c1cc(cc2)Sc3ncc[nH]3 62a_100010090012_100025796157 [0,1,0,0,0,0|1,0,2]=4 150 B19R3.2991659 Nc1cccc2c1cc(cc2)Sc3ncc[nH]3 62a_100025796157_100010090012 [0,1,0,0,0,0|1,0,2]=4 151 B19R3.2991659 Oc1cccc2c1cc(cc2)C=C3CCCC3 271570a_100010378317_100010089991 [0,1,0,0,0,0|2,0,1]=4 152 B19R3.2991659 Oc1cccc2c1cc(cc2)Sc3ncc[nH]3 62a_100025796157_100010089991 [0,1,0,0,0,0|1,0,2]=4 153 B17R2.2159 CC#CC(=O)Cc1ccc2ccccc2c1 1458a_100000763181_100011216711 [0,0,1,0,0,0|2,0,1]=4 154 B17R2.2159 CC=CC(=O)Cc1ccc2ccccc2c1 1458a_100000210699_100011216711 [0,0,1,0,0,0|2,0,1]=4 155 B17R2.2159 CCCC(=O)Cc1cc2ccccc2cn1 1458a_100000211992_100009869231 [0,0,1,0,0,0|3,0,0]=4 156 B17R2.2159 CCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210303 [0,0,1,0,0,0|2,0,0]=3 157 B17R2.2159 CCCC(=O)Cc1ccc2ccccc2c1 1458a_100000211992_100011216711 [0,0,1,0,0,0|2,0,0]=3 158 B17R2.2159 CCCC(=O)Cc1ccc2ccccc2n1 1458a_100000211992_100000737579 [0,0,1,0,0,0|3,0,0]=4 159 B17R2.2159 CCCC(=O)Cc1ccc2cnccc2c1 1458a_100000211992_100020605334 [0,0,1,0,0,0|3,0,0]=4 160 B17R2.2159 CCCC(=O)Cc1ccc2ncccc2c1 1458a_100000211992_100000703657 [0,0,1,0,0,0|3,0,0]=4 161 B17R2.2159 CCCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210303 [0,0,1,0,0,0|3,0,0]=4 162 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000211992 [0,0,1,0,0,0|3,0,0]=4 163 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000211992 [0,0,1,0,0,0|3,0,0]=4 164 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000211992 [0,0,1,0,0,0|3,0,0]=4 165 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000211992 [0,0,1,0,0,0|3,0,0]=4 166 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210303 [0,0,1,0,0,0|3,0,0]=4 167 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 2230a_100000747261_100011216711 [0,0,1,0,0,0|3,0,0]=4 168 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000210303 [0,0,1,0,0,0|3,0,0]=4 169 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 269982a_100000747261_100011216711 [0,0,1,0,0,0|3,0,0]=4 170 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 270004a_100000747261_100000211584 [0,0,1,0,0,0|3,0,0]=4 171 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 11a_100015525214_100000181716 [0,0,1,0,0,0|1,0,0]=2 172 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 240690a_100015525214_100000181716 [0,0,1,0,0,0|1,0,0]=2 173 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 527a_100015525214_100000181716 [0,0,1,0,0,0|1,0,0]=2 174 B17R2.2159 CCNC(=O)Cc1ccc2ncccc2c1 11a_100015525214_100011218584 [0,0,1,0,0,0|2,0,0]=3 175 B17R2.2159 CCNC(=O)Cc1ccc2ncccc2c1 240690a_100015525214_100011218584 [0,0,1,0,0,0|2,0,0]=3 176 B17R2.2159 CCNC(=O)Cc1ccc2ncccc2c1 527a_100015525214_100011218584 [0,0,1,0,0,0|2,0,0]=3 177 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100015525214 [0,0,1,0,0,0|2,0,0]=3 178 B17R2.2159 CCNC(=O)Nc1ccc2cccnc2c1 2430a_100102887122_100015525214 [0,0,1,0,0,0|3,0,0]=4 179 B17R2.2159 CCNC(=O)Nc1ccc2ccncc2c1 2430a_100000069342_100015525214 [0,0,1,0,0,0|3,0,0]=4 180 B17R2.2159 CCNC(=O)Nc1ccc2cnccc2c1 2430a_100000039641_100015525214 [0,0,1,0,0,0|3,0,0]=4 181 B17R2.2159 CCNC(C)Cc1ccc2ccccc2n1 270004a_100015525214_100011245913 [0,0,1,0,0,0|2,0,1]=4 182 B17R2.2159 CNNC(=O)Cc1ccc2ccccc2c1 22a_100016993582_100000181716 [0,0,1,0,0,0|2,0,0]=3 183 B17R2.2159 CNNC(=O)Cc1ccc2ncccc2c1 22a_100016993582_100011218584 [0,0,1,0,0,0|3,0,0]=4 184 B17R2.2159 COCC(=O)Cc1ccc2ccccc2c1 1458a_100000210968_100011216711 [0,0,1,0,0,0|3,0,0]=4 185 B17R2.2159 CSCC(=O)Cc1ccc2ccccc2c1 1458a_100000184570_100011216711 [0,0,1,0,0,0|3,0,0]=4 186 B17R2.2159 O=C(CCF)Cc1ccc2ccccc2c1 1458a_100000181716_100011217306 [0,0,1,0,0,0|3,0,0]=4 187 B17R2.2159 O=C(CCO)Cc1ccc2ccccc2c1 1458a_100000181716_100000211926 [0,0,1,0,0,0|3,0,0]=4 188 B17R2.2159 O=C(CCO)Cc1ccc2ccccc2c1 1458a_100011216618_100011216711 [0,0,1,0,0,0|3,0,0]=4 189 B17R2.2739 C=Cc1ccccc1COCC2=NCCN2 34a_200010883148_100000737910 [0,0,1,0,0,0|1,0,1]=3 190 B17R2.2739 C=Cc1ccccc1COCC2=NCCN2 7a_200010883148_100000737910 [0,0,1,0,0,0|1,0,1]=3 191 B17R2.2739 O=Cc1ccccc1CSCC2=NCCN2 62a_100000737910_200009853537 [0,0,1,0,0,0|2,0,1]=4 192 B17R2.2739 O=Cc1ccccc1CSCC2=NCCN2 62a_200009853537_100000737910 [0,0,1,0,0,0|2,0,1]=4 193 B17R2.5879 BrCCCOCc1ccc2ccccc2c1 34a_100011217188_100011216711 [0,0,1,0,0,0|3,0,0]=4 194 B17R2.5879 C#CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000038162 [0,0,1,0,0,0|1,0,2]=4 195 B17R2.5879 C#CCNCCc1ccc2ccccc2c1 34a_100000746582_100000184674 [0,0,1,0,0,0|1,0,2]=4 196 B17R2.5879 C=CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210623 [0,0,1,0,0,0|1,0,2]=4 197 B17R2.5879 C=CCNCCc1ccc2ccccc2c1 34a_100000746582_100015514636 [0,0,1,0,0,0|1,0,2]=4 198 B17R2.5879 CCCCC=Cc1ccc2ccccc2c1 271570a_100016275911_100000233703 [0,0,1,0,0,0|2,0,1]=4 199 B17R2.5879 CCCCNCc1ccc2ccccc2c1 207a_100000102301_100000211584 [0,0,1,0,0,0|3,0,0]=4 200 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000102301_100011216711 [0,0,1,0,0,0|3,0,0]=4 201 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210211 [0,0,1,0,0,0|3,0,0]=4 202 B17R2.5879 CCCCNCc1ccc2ccccc2c1 270004a_100000102301_100000211584 [0,0,1,0,0,0|3,0,0]=4 203 B17R2.5879 CCCCNCc1ccc2ccccc2c1 34a_100000739491_100000210210 [0,0,1,0,0,0|3,0,0]=4 204 B17R2.5879 CCCCNCc1ccc2ccccc2c1 7a_106832991798_100011216711 [0,0,1,0,0,0|3,0,0]=4 205 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100000210227_100011216711 [0,0,1,0,0,0|3,0,0]=4 206 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100011215330_100000210210 [0,0,1,0,0,0|3,0,0]=4 207 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100000210227_100011216711 [0,0,1,0,0,0|3,0,0]=4 208 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210211 [0,0,1,0,0,0|3,0,0]=4 209 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100000210211_100011216711 [0,0,1,0,0,0|3,0,0]=4 210 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100011216711_100000210210 [0,0,1,0,0,0|3,0,0]=4 211 B17R2.5879 CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210303 [0,0,1,0,0,0|1,0,1]=3 212 B17R2.5879 CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210303 [0,0,1,0,0,0|1,0,1]=3 213 B17R2.5879 CCCNN=Cc1ccc2ccccc2c1 4a_100000740057_100000211584 [0,0,1,0,0,0|2,0,1]=4 214 B17R2.5879 CCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210303 [0,0,1,0,0,0|2,0,1]=4 215 B17R2.5879 CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210303 [0,0,1,0,0,0|2,0,1]=4 216 B17R2.5879 COCNCCc1ccc2ccccc2c1 2230a_100000746582_100000766300 [0,0,1,0,0,0|2,0,1]=4 217 B17R2.5879 CSCNCCc1ccc2ccccc2c1 2230a_100000746582_100011218213 [0,0,1,0,0,0|2,0,1]=4 218 B17R2.5879 CSCNCCc1ccc2ccccc2c1 34a_100000746582_100011218213 [0,0,1,0,0,0|2,0,1]=4 219 B17R2.5879 ClCCCOCc1ccc2ccccc2c1 34a_100000230001_100011216711 [0,0,1,0,0,0|3,0,0]=4 220 B17R2.5879 FCCCNCc1ccc2ccccc2c1 207a_100015189416_100000211584 [0,0,1,0,0,0|3,0,0]=4 221 B17R2.5879 FCCCNCc1ccc2ccccc2c1 2230a_100000739491_100011934791 [0,0,1,0,0,0|3,0,0]=4 222 B17R2.5879 FCCCNCc1ccc2ccccc2c1 2230a_100015189416_100011216711 [0,0,1,0,0,0|3,0,0]=4 223 B17R2.5879 FCCCNCc1ccc2ccccc2c1 270004a_100015189416_100000211584 [0,0,1,0,0,0|3,0,0]=4 224 B17R2.5879 FCCCNCc1ccc2ccccc2c1 34a_100000739491_100011934791 [0,0,1,0,0,0|3,0,0]=4 225 B17R2.5879 FCCCNCc1ccc2ccccc2c1 34a_100015189416_100011216711 [0,0,1,0,0,0|3,0,0]=4 226 B17R2.5879 FCCCOCc1ccc2ccccc2c1 34a_100000759539_100011216711 [0,0,1,0,0,0|3,0,0]=4 227 B17R2.5879 FCCCOCc1ccc2ccccc2c1 34a_100011215330_100011934791 [0,0,1,0,0,0|3,0,0]=4 228 B17R2.5879 FCCCOCc1ccc2ccccc2c1 7a_100011215330_100011934791 [0,0,1,0,0,0|3,0,0]=4 229 B17R2.5879 FCCCSCc1ccc2ccccc2c1 62a_100011216711_100011934791 [0,0,1,0,0,0|3,0,0]=4 230 B17R2.5879 FCCCSCc1ccc2ccccc2c1 62a_100011934791_100011216711 [0,0,1,0,0,0|3,0,0]=4 231 B17R2.5879 FCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011217306 [0,0,1,0,0,0|1,0,1]=3 232 B17R2.5879 FCCNCCc1ccc2ccccc2c1 34a_100000746582_100011217306 [0,0,1,0,0,0|1,0,1]=3 233 B17R2.5879 FCCOCCc1ccc2ccccc2c1 34a_100000755654_100011217306 [0,0,1,0,0,0|2,0,1]=4 234 B17R2.5879 FCCOCCc1ccc2ccccc2c1 7a_100000755654_100011217306 [0,0,1,0,0,0|2,0,1]=4 235 B17R2.5879 N#CCNCCc1ccc2ccccc2c1 2230a_100000746582_100011215382 [0,0,1,0,0,0|0,0,3]=4 236 B17R2.5879 NCCCOCc1cc2ccccc2cn1 34a_100000182051_100009869231 [0,0,1,0,0,0|3,0,0]=4 237 B17R2.5879 NCCCOCc1ccc2ccccc2c1 34a_100000182051_100011216711 [0,0,1,0,0,0|2,0,0]=3 238 B17R2.5879 NCCCOCc1ccc2ccccc2n1 34a_100000182051_100000737579 [0,0,1,0,0,0|3,0,0]=4 239 B17R2.5879 NCCCOCc1ccc2cnccc2c1 34a_100000182051_100020605334 [0,0,1,0,0,0|3,0,0]=4 240 B17R2.5879 NCCCOCc1ccc2ncccc2c1 34a_100000182051_100000703657 [0,0,1,0,0,0|3,0,0]=4 241 B17R2.5879 NOCCOCc1ccc2ccccc2c1 34a_100000700252_100011216711 [0,0,1,0,0,0|3,0,0]=4 242 B17R2.5879 O=CCNCCc1ccc2ccccc2c1 2230a_100000746582_200015260668 [0,0,1,0,0,0|1,0,2]=4 243 B17R2.5879 O=CCNCCc1ccc2ccccc2c1 34a_100000746582_200009817547 [0,0,1,0,0,0|1,0,2]=4 244 B17R2.5879 OCCCNCc1ccc2ccccc2c1 207a_100000182051_100000211584 [0,0,1,0,0,0|3,0,0]=4 245 B17R2.5879 OCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000230001 [0,0,1,0,0,0|3,0,0]=4 246 B17R2.5879 OCCCNCc1ccc2ccccc2c1 270004a_100000182051_100000211584 [0,0,1,0,0,0|3,0,0]=4 247 B17R2.5879 OCCCNCc1ccc2ccccc2c1 34a_100000739491_100000230001 [0,0,1,0,0,0|3,0,0]=4 248 B17R2.5879 OCCCOCc1ccc2ccccc2c1 34a_100011215330_100000230001 [0,0,1,0,0,0|3,0,0]=4 249 B17R2.5879 OCCCOCc1ccc2ccccc2c1 7a_100011215330_100011215043 [0,0,1,0,0,0|3,0,0]=4 250 B17R2.5879 OCCCSCc1ccc2ccccc2c1 62a_100011215043_100011216711 [0,0,1,0,0,0|3,0,0]=4 251 B17R2.5879 OCCCSCc1ccc2ccccc2c1 62a_100011216711_100011215043 [0,0,1,0,0,0|3,0,0]=4 252 B17R2.5879 OCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000211926 [0,0,1,0,0,0|1,0,1]=3 253 B17R2.5879 OCCNCCc1ccc2ccccc2c1 34a_100000746582_100000211926 [0,0,1,0,0,0|1,0,1]=3 254 B17R2.5879 OCCNN=Cc1ccc2ccccc2c1 4a_100000210001_100000211584 [0,0,1,0,0,0|2,0,1]=4 255 B17R2.5879 OCCOCCc1ccc2ccccc2c1 34a_100000755654_100000211926 [0,0,1,0,0,0|2,0,1]=4 256 B17R2.5879 OCCOCCc1ccc2ccccc2c1 7a_100000755654_100000211926 [0,0,1,0,0,0|2,0,1]=4 257 B17R2.8343 O=C(C=Cc1ccccc1)Cc2nnn[nH]2 1458a_100000210462_100000765167 [0,0,1,0,0,0|3,0,0]=4 258 B17R2.48339 CCN(CC)Cc1ccc2ccccc2c1 2230a_100000201282_100000210202 [0,0,1,0,0,0|3,0,0]=4 259 B17R2.48339 CCN(CC)Cc1ccc2ccccc2c1 2230a_100000724800_100011216711 [0,0,1,0,0,0|3,0,0]=4 260 B17R2.48339 CCN(CC)Cc1ccc2ccccc2c1 269956a_100000042499_100011216711 [0,0,1,0,0,0|3,0,0]=4 261 B17R2.48339 CCN(CC)Cc1ccc2ccccc2c1 269982a_100000201282_100000204670 [0,0,1,0,0,0|3,0,0]=4 262 B17R2.48339 CCN(CC)Cc1ccc2ccccc2c1 269982a_100000724800_100011216711 [0,0,1,0,0,0|3,0,0]=4 263 B17R2.48339 CCN(CC)Cc1ccc2ccccc2c1 270004a_100000724800_100000211584 [0,0,1,0,0,0|3,0,0]=4 264 B17R3.1917 C1=C(CCC1)c2cc3ccccc3cn2 271570a_100000089523_100000047361 [0,0,0,0,1,0|3,0,0]=4 265 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3c2 271570a_100000089523_100000233703 [0,0,0,0,1,0|2,0,0]=3 266 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3n2 271570a_100000089523_100011291633 [0,0,0,0,1,0|3,0,0]=4 267 B17R3.1917 C1=C(CCC1)c2ccc3cccnc3c2 271570a_100000089523_100009816655 [0,0,0,0,1,0|3,0,0]=4 268 B17R3.1917 C1=C(CCC1)c2ccc3ccncc3c2 271570a_100000089523_100000686496 [0,0,0,0,1,0|3,0,0]=4 269 B17R3.1917 C1=C(CCC1)c2ccc3cnccc3c2 271570a_100000089523_100009816743 [0,0,0,0,1,0|3,0,0]=4 270 B17R3.1917 C1=C(CCC1)c2ccc3ncccc3c2 271570a_100000089523_100000754243 [0,0,0,0,1,0|3,0,0]=4 271 B17R3.1917 C1=C(CCC1)c2cnc3ccccc3c2 271570a_100000089523_100000737414 [0,0,0,0,1,0|3,0,0]=4 272 B17R3.1917 C1=C(CCO1)c2ccc3ccccc3c2 271570a_100000118173_100000233703 [0,0,0,0,1,0|3,0,0]=4 273 B17R3.1917 C1=C(COC1)c2ccc3ccccc3c2 271570a_100009872500_100000233703 [0,0,0,0,1,0|3,0,0]=4 274 B17R3.1917 c1cc2cc(ccc2cn1)c3ncc[nH]3 271570a_100000070448_100025796157 [0,0,0,0,1,0|1,0,2]=4 275 B17R3.1917 c1cc2cc(ccc2cn1)c3ncc[nH]3 271570a_100016988920_100009816743 [0,0,0,0,1,0|1,0,2]=4 276 B17R3.1917 c1cc2ccc(cc2cn1)c3ncc[nH]3 271570a_100000068421_100025796157 [0,0,0,0,1,0|1,0,2]=4 277 B17R3.1917 c1cc2ccc(cc2cn1)c3ncc[nH]3 271570a_100016988920_100000686496 [0,0,0,0,1,0|1,0,2]=4 278 B17R3.1917 c1ccc2cc(ccc2c1)c3c[nH]cn3 271570a_100011218693_100000756875 [0,0,0,0,1,0|2,0,1]=4 279 B17R3.1917 c1ccc2cc(ccc2c1)c3cc[nH]n3 271570a_100000062414_100000233703 [0,0,0,0,1,0|2,0,1]=4 280 B17R3.1917 c1ccc2cc(ccc2c1)c3cc[nH]n3 271570a_100011218693_100000062575 [0,0,0,0,1,0|2,0,1]=4 281 B17R3.1917 c1ccc2cc(ccc2c1)c3ccsn3 271570a_100011218693_100009818082 [0,0,0,0,1,0|2,0,1]=4 282 B17R3.1917 c1ccc2cc(ccc2c1)c3cscn3 271570a_100011218693_100000751502 [0,0,0,0,1,0|2,0,1]=4 283 B17R3.1917 c1ccc2cc(ccc2c1)c3nc[nH]n3 271570a_100011218693_100000761765 [0,0,0,0,1,0|1,0,2]=4 284 B17R3.1917 c1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100011218693_100025796157 [0,0,0,0,1,0|0,0,2]=3 285 B17R3.1917 c1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100000233703 [0,0,0,0,1,0|0,0,2]=3 286 B17R3.1917 c1ccc2cc(ccc2c1)c3ncco3 271570a_100011218693_100011787736 [0,0,0,0,1,0|1,0,2]=4 287 B17R3.1917 c1ccc2cc(ccc2c1)c3nccs3 271570a_100011218693_100000211983 [0,0,0,0,1,0|1,0,2]=4 288 B17R3.1917 c1ccc2cc(ccc2c1)c3ncns3 271570a_100011218693_100000693119 [0,0,0,0,1,0|2,0,1]=4 289 B17R3.1917 c1ccc2cc(ccc2c1)c3nncs3 271570a_100011218693_100000739804 [0,0,0,0,1,0|2,0,1]=4 290 B17R3.1917 c1ccc2cc(ncc2c1)c3ncc[nH]3 271570a_100016988920_100000047361 [0,0,0,0,1,0|1,0,2]=4 291 B17R3.1917 c1ccc2nc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100011291633 [0,0,0,0,1,0|1,0,2]=4 292 B17R3.1917 c1ccc2ncc(cc2c1)c3ncc[nH]3 271570a_100012350238_100025796157 [0,0,0,0,1,0|1,0,2]=4 293 B17R3.1917 c1ccc2ncc(cc2c1)c3ncc[nH]3 271570a_100016988920_100000737414 [0,0,0,0,1,0|1,0,2]=4 294 B17R3.1917 c1cnc2cc(ccc2c1)c3ncc[nH]3 271570a_100012353946_100025796157 [0,0,0,0,1,0|1,0,2]=4 295 B17R3.1917 c1cnc2cc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100009816655 [0,0,0,0,1,0|1,0,2]=4 296 B17R3.1917 c1cnc2ccc(cc2c1)c3ncc[nH]3 271570a_100012351079_100025796157 [0,0,0,0,1,0|1,0,2]=4 297 B17R3.1917 c1cnc2ccc(cc2c1)c3ncc[nH]3 271570a_100016988920_100000754243 [0,0,0,0,1,0|1,0,2]=4 298 B17R3.8685 c1ccc2c(c1)CN(C2)CC3=NCCN3 269982a_100000752595_100000737910 [0,0,0,0,1,0|1,0,2]=4 299 B17R3.8685 c1ccc2c(c1)CN(C2)CC3=NCCN3 34a_100000752595_100000737910 [0,0,0,0,1,0|1,0,2]=4 300 B17R3.123564 c1cc2cc(ccc2cn1)CN3CCC3 269982a_100000754969_100020605334 [0,0,0,0,1,0|3,0,0]=4 301 B17R3.123564 c1ccc2cc(ccc2c1)CN3CCC3 269982a_100000754969_100011216711 [0,0,0,0,1,0|2,0,0]=3 302 B17R3.123564 c1ccc2cc(ccc2c1)NC3CCC3 34a_100000211940_100000749161 [0,0,0,0,1,0|2,0,1]=4 303 B17R3.123564 c1ccc2cc(ccc2c1)OC3CCC3 34a_100000185828_100000749161 [0,0,0,0,1,0|2,0,1]=4 304 B17R3.123564 c1ccc2cc(ncc2c1)CN3CCC3 269982a_100000754969_100009869231 [0,0,0,0,1,0|3,0,0]=4 305 B17R3.123564 c1cnc2ccc(cc2c1)CN3CCC3 269982a_100000754969_100000703657 [0,0,0,0,1,0|3,0,0]=4 306 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCCOC3 2230a_100000131196_100011216711 [0,0,0,0,0,1|3,0,0]=4 307 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCCOC3 269982a_100000131196_100011216711 [0,0,0,0,0,1|3,0,0]=4 308 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCCOC3 270004a_100000131196_100000211584 [0,0,0,0,0,1|3,0,0]=4 309 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCCOC3 34a_100000131196_100011216711 [0,0,0,0,0,1|3,0,0]=4 310 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 2230a_100015191051_100011216711 [0,0,0,0,0,1|3,0,0]=4 311 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 269982a_100015191051_100011216711 [0,0,0,0,0,1|3,0,0]=4 312 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 270004a_100015191051_100000211584 [0,0,0,0,0,1|3,0,0]=4 313 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 34a_100015191051_100011216711 [0,0,0,0,0,1|3,0,0]=4 314 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCSCC3 2230a_100000737611_100011216711 [0,0,0,0,0,1|3,0,0]=4 315 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCSCC3 269982a_100000737611_100011216711 [0,0,0,0,0,1|3,0,0]=4 316 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCSCC3 270004a_100000737611_100000211584 [0,0,0,0,0,1|3,0,0]=4 317 B19R3.62425 c1cc2cc(ccc2cn1)CSc3ncc[nH]3 62a_100020605334_100025796157 [0,0,0,0,0,1|1,0,2]=4 318 B19R3.62425 c1cc2cc(ccc2cn1)CSc3ncc[nH]3 62a_100025796157_100020605334 [0,0,0,0,0,1|1,0,2]=4 319 B19R3.62425 c1cc2cc(ccc2cn1)NCC3=NCCN3 34a_100000039641_100000737910 [0,0,0,0,0,1|1,0,0]=2 320 B19R3.62425 c1cc2cc(ccc2cn1)NCc3ncc[nH]3 207a_100000039641_100000743867 [0,0,0,0,0,1|1,0,2]=4 321 B19R3.62425 c1cc2cc(ccc2cn1)NCc3ncc[nH]3 34a_100000039641_100016991755 [0,0,0,0,0,1|1,0,2]=4 322 B19R3.62425 c1cc2cc(ccc2cn1)NCc3nnn[nH]3 34a_100000039641_100000765167 [0,0,0,0,0,1|3,0,0]=4 323 B19R3.62425 c1cc2cc(ccc2cn1)OCC3=NCCN3 34a_100000046372_100000737910 [0,0,0,0,0,1|1,0,0]=2 324 B19R3.62425 c1cc2cc(ccc2cn1)OCC3=NCCN3 7a_100000046372_100000737910 [0,0,0,0,0,1|1,0,0]=2 325 B19R3.62425 c1cc2cc(ccc2cn1)OCc3ncc[nH]3 34a_100000046372_100016991755 [0,0,0,0,0,1|1,0,2]=4 326 B19R3.62425 c1cc2cc(ccc2cn1)OCc3ncc[nH]3 7a_100000046372_100000753453 [0,0,0,0,0,1|1,0,2]=4 327 B19R3.62425 c1cc2cc(ccc2cn1)OCc3nnn[nH]3 34a_100000046372_100000765167 [0,0,0,0,0,1|3,0,0]=4 328 B19R3.62425 c1cc2cc(ccc2cn1)OCc3nnn[nH]3 7a_100000046372_100000765167 [0,0,0,0,0,1|3,0,0]=4 329 B19R3.62425 c1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100000737910_100009816743 [0,0,0,0,0,1|1,0,0]=2 330 B19R3.62425 c1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100009816743_100000737910 [0,0,0,0,0,1|1,0,0]=2 331 B19R3.62425 c1cc2cc(ccc2cn1)SCc3ncc[nH]3 62a_100009816743_100016991755 [0,0,0,0,0,1|1,0,2]=4 332 B19R3.62425 c1cc2cc(ccc2cn1)SCc3ncc[nH]3 62a_100016991755_100009816743 [0,0,0,0,0,1|1,0,2]=4 333 B19R3.62425 c1cc2cc(ccc2cn1)SCc3nnn[nH]3 62a_100000765167_100009816743 [0,0,0,0,0,1|3,0,0]=4 334 B19R3.62425 c1cc2cc(ccc2cn1)SCc3nnn[nH]3 62a_100009816743_100000765167 [0,0,0,0,0,1|3,0,0]=4 335 B19R3.62425 c1cc2cc(ccc2nn1)SCC3=NCCN3 62a_100000737910_100010209549 [0,0,0,0,0,1|2,0,0]=3 336 B19R3.62425 c1cc2cc(ccc2nn1)SCC3=NCCN3 62a_100010209549_100000737910 [0,0,0,0,0,1|2,0,0]=3 337 B19R3.62425 c1cc2ccc(cc2cn1)NCc3ncc[nH]3 207a_100000069342_100000743867 [0,0,0,0,0,1|1,0,2]=4 338 B19R3.62425 c1cc2ccc(cc2cn1)OCC3=NCCN3 7a_100000752006_100000737910 [0,0,0,0,0,1|1,0,0]=2 339 B19R3.62425 c1cc2ccc(cc2cn1)OCc3ncc[nH]3 7a_100000752006_100000753453 [0,0,0,0,0,1|1,0,2]=4 340 B19R3.62425 c1cc2ccc(cc2cn1)OCc3nnn[nH]3 7a_100000752006_100000765167 [0,0,0,0,0,1|3,0,0]=4 341 B19R3.62425 c1cc2ccc(cc2cn1)SCC3=NCCN3 62a_100000686496_100000737910 [0,0,0,0,0,1|1,0,0]=2 342 B19R3.62425 c1cc2ccc(cc2cn1)SCC3=NCCN3 62a_100000737910_100000686496 [0,0,0,0,0,1|1,0,0]=2 343 B19R3.62425 c1cc2ccc(cc2cn1)SCc3ncc[nH]3 62a_100000686496_100016991755 [0,0,0,0,0,1|1,0,2]=4 344 B19R3.62425 c1cc2ccc(cc2cn1)SCc3ncc[nH]3 62a_100016991755_100000686496 [0,0,0,0,0,1|1,0,2]=4 345 B19R3.62425 c1cc2ccc(cc2cn1)SCc3nnn[nH]3 62a_100000686496_100000765167 [0,0,0,0,0,1|3,0,0]=4 346 B19R3.62425 c1cc2ccc(cc2cn1)SCc3nnn[nH]3 62a_100000765167_100000686496 [0,0,0,0,0,1|3,0,0]=4 347 B19R3.62425 c1cc2ccc(nc2cn1)SCC3=NCCN3 62a_100000737910_100000020162 [0,0,0,0,0,1|2,0,0]=3 348 B19R3.62425 c1cc2cnncc2cc1SCC3=NCCN3 62a_100000737910_100010198781 [0,0,0,0,0,1|2,0,0]=3 349 B19R3.62425 c1cc2cnncc2cc1SCC3=NCCN3 62a_100010198781_100000737910 [0,0,0,0,0,1|2,0,0]=3 350 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 207a_100000211070_100000211584 [0,0,0,0,0,1|2,0,1]=4 351 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 2230a_100000211070_100011216711 [0,0,0,0,0,1|2,0,1]=4 352 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 2230a_100000739491_100000179811 [0,0,0,0,0,1|2,0,1]=4 353 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 270004a_100000211070_100000211584 [0,0,0,0,0,1|2,0,1]=4 354 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 270004a_100000739491_100000210133 [0,0,0,0,0,1|2,0,1]=4 355 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 34a_100000211070_100011216711 [0,0,0,0,0,1|2,0,1]=4 356 B19R3.62425 c1ccc2cc(ccc2c1)CNC3CCCC3 34a_100000739491_100000179811 [0,0,0,0,0,1|2,0,1]=4 357 B19R3.62425 c1ccc2cc(ccc2c1)CNc3ncns3 27a_100000739491_100000693119 [0,0,0,0,0,1|2,0,1]=4 358 B19R3.62425 c1ccc2cc(ccc2c1)CNc3nncs3 27a_100000739491_100000739804 [0,0,0,0,0,1|2,0,1]=4 359 B19R3.62425 c1ccc2cc(ccc2c1)COC3CCCC3 34a_100000210269_100011216711 [0,0,0,0,0,1|2,0,1]=4 360 B19R3.62425 c1ccc2cc(ccc2c1)COC3CCCC3 34a_100011215330_100000179811 [0,0,0,0,0,1|2,0,1]=4 361 B19R3.62425 c1ccc2cc(ccc2c1)COC3CCCC3 7a_100000210269_100011216711 [0,0,0,0,0,1|2,0,1]=4 362 B19R3.62425 c1ccc2cc(ccc2c1)COC3CCCC3 7a_100011215330_100000179811 [0,0,0,0,0,1|2,0,1]=4 363 B19R3.62425 c1ccc2cc(ccc2c1)COC3CCCO3 34a_100000085407_100011216711 [0,0,0,0,0,1|2,0,1]=4 364 B19R3.62425 c1ccc2cc(ccc2c1)CSC3CCCC3 62a_100011216711_100000179811 [0,0,0,0,0,1|2,0,1]=4 365 B19R3.62425 c1ccc2cc(ccc2c1)CSC3CCCC3 62a_100011217020_100011216711 [0,0,0,0,0,1|2,0,1]=4 366 B19R3.62425 c1ccc2cc(ccc2c1)CSc3c[nH]cn3 62a_100000756875_100011216711 [0,0,0,0,0,1|2,0,1]=4 367 B19R3.62425 c1ccc2cc(ccc2c1)CSc3c[nH]cn3 62a_100011216711_100000756875 [0,0,0,0,0,1|2,0,1]=4 368 B19R3.62425 c1ccc2cc(ccc2c1)CSc3c[nH]nn3 62a_100009819707_100011216711 [0,0,0,0,0,1|3,0,0]=4 369 B19R3.62425 c1ccc2cc(ccc2c1)CSc3c[nH]nn3 62a_100011216711_100009819707 [0,0,0,0,0,1|3,0,0]=4 370 B19R3.62425 c1ccc2cc(ccc2c1)CSc3cc[nH]n3 62a_100000062575_100011216711 [0,0,0,0,0,1|2,0,1]=4 371 B19R3.62425 c1ccc2cc(ccc2c1)CSc3cc[nH]n3 62a_100011216711_100000062575 [0,0,0,0,0,1|2,0,1]=4 372 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ccon3 62a_100009818083_100011216711 [0,0,0,0,0,1|2,0,1]=4 373 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ccon3 62a_100011216711_100009818083 [0,0,0,0,0,1|2,0,1]=4 374 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ccsn3 62a_100009818082_100011216711 [0,0,0,0,0,1|2,0,1]=4 375 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ccsn3 62a_100011216711_100009818082 [0,0,0,0,0,1|2,0,1]=4 376 B19R3.62425 c1ccc2cc(ccc2c1)CSc3cscn3 62a_100000751502_100011216711 [0,0,0,0,0,1|2,0,1]=4 377 B19R3.62425 c1ccc2cc(ccc2c1)CSc3cscn3 62a_100011216711_100000751502 [0,0,0,0,0,1|2,0,1]=4 378 B19R3.62425 c1ccc2cc(ccc2c1)CSc3nc[nH]n3 62a_100000761765_100011216711 [0,0,0,0,0,1|1,0,2]=4 379 B19R3.62425 c1ccc2cc(ccc2c1)CSc3nc[nH]n3 62a_100011216711_100000761765 [0,0,0,0,0,1|1,0,2]=4 380 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ncc[nH]3 62a_100011216711_100025796157 [0,0,0,0,0,1|0,0,2]=3 381 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ncc[nH]3 62a_100025796157_100011216711 [0,0,0,0,0,1|0,0,2]=3 382 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ncco3 62a_100011216711_100011787736 [0,0,0,0,0,1|1,0,2]=4 383 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ncco3 62a_100011787736_100011216711 [0,0,0,0,0,1|1,0,2]=4 384 B19R3.62425 c1ccc2cc(ccc2c1)CSc3nccs3 62a_100000211983_100011216711 [0,0,0,0,0,1|1,0,2]=4 385 B19R3.62425 c1ccc2cc(ccc2c1)CSc3nccs3 62a_100011216711_100000211983 [0,0,0,0,0,1|1,0,2]=4 386 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ncns3 62a_100000693119_100011216711 [0,0,0,0,0,1|2,0,1]=4 387 B19R3.62425 c1ccc2cc(ccc2c1)CSc3ncns3 62a_100011216711_100000693119 [0,0,0,0,0,1|2,0,1]=4 388 B19R3.62425 c1ccc2cc(ccc2c1)CSc3nncs3 62a_100000739804_100011216711 [0,0,0,0,0,1|2,0,1]=4 389 B19R3.62425 c1ccc2cc(ccc2c1)CSc3nncs3 62a_100011216711_100000739804 [0,0,0,0,0,1|2,0,1]=4 390 B19R3.62425 c1ccc2cc(ccc2c1)NCC3=NCCN3 34a_100000211940_100000737910 [0,0,0,0,0,1|0,0,0]=1 391 B19R3.62425 c1ccc2cc(ccc2c1)NCC3=NCCN3 7a_100000211940_100000737910 [0,0,0,0,0,1|0,0,0]=1 392 B19R3.62425 c1ccc2cc(ccc2c1)NCC3CCCC3 34a_100000211940_100000740388 [0,0,0,0,0,1|2,0,1]=4 393 B19R3.62425 c1ccc2cc(ccc2c1)NCC3CCCC3 7a_100000211940_100000740388 [0,0,0,0,0,1|2,0,1]=4 394 B19R3.62425 c1ccc2cc(ccc2c1)NCC3CCCO3 7a_100000211940_100000203698 [0,0,0,0,0,1|2,0,1]=4 395 B19R3.62425 c1ccc2cc(ccc2c1)NCC3OCCO3 34a_100000211940_100000755774 [0,0,0,0,0,1|2,0,1]=4 396 B19R3.62425 c1ccc2cc(ccc2c1)NCC3OCCO3 7a_100000211940_100000755774 [0,0,0,0,0,1|2,0,1]=4 397 B19R3.62425 c1ccc2cc(ccc2c1)NCc3c[nH]cn3 34a_100000211940_100000707719 [0,0,0,0,0,1|2,0,1]=4 398 B19R3.62425 c1ccc2cc(ccc2c1)NCc3cc[nH]n3 207a_100000211940_100000738523 [0,0,0,0,0,1|2,0,1]=4 399 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ccn[nH]3 34a_100000211940_100000728653 [0,0,0,0,0,1|2,0,1]=4 400 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ccn[nH]3 7a_100000211940_100000728653 [0,0,0,0,0,1|2,0,1]=4 401 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ccon3 34a_100000211940_100000234950 [0,0,0,0,0,1|2,0,1]=4 402 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ccon3 7a_100000211940_100000234950 [0,0,0,0,0,1|2,0,1]=4 403 B19R3.62425 c1ccc2cc(ccc2c1)NCc3cnc[nH]3 207a_100000211940_100000742939 [0,0,0,0,0,1|2,0,1]=4 404 B19R3.62425 c1ccc2cc(ccc2c1)NCc3cscn3 207a_100000211940_100000743575 [0,0,0,0,0,1|2,0,1]=4 405 B19R3.62425 c1ccc2cc(ccc2c1)NCc3cscn3 270302a_100000211940_100000743575 [0,0,0,0,0,1|2,0,1]=4 406 B19R3.62425 c1ccc2cc(ccc2c1)NCc3cscn3 34a_100000211940_100000205941 [0,0,0,0,0,1|2,0,1]=4 407 B19R3.62425 c1ccc2cc(ccc2c1)NCc3cscn3 7a_100000211940_100000205941 [0,0,0,0,0,1|2,0,1]=4 408 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ncc[nH]3 207a_100000211940_100000743867 [0,0,0,0,0,1|0,0,2]=3 409 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ncc[nH]3 34a_100000211940_100016991755 [0,0,0,0,0,1|0,0,2]=3 410 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ncc[nH]3 7a_100000211940_100000753453 [0,0,0,0,0,1|0,0,2]=3 411 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ncco3 34a_100000211940_103436540062 [0,0,0,0,0,1|1,0,2]=4 412 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ncco3 7a_100000211940_103436540062 [0,0,0,0,0,1|1,0,2]=4 413 B19R3.62425 c1ccc2cc(ccc2c1)NCc3nccs3 207a_100000211940_100000750902 [0,0,0,0,0,1|1,0,2]=4 414 B19R3.62425 c1ccc2cc(ccc2c1)NCc3nccs3 270302a_100000211940_100000750902 [0,0,0,0,0,1|1,0,2]=4 415 B19R3.62425 c1ccc2cc(ccc2c1)NCc3nccs3 34a_100000211940_100015184050 [0,0,0,0,0,1|1,0,2]=4 416 B19R3.62425 c1ccc2cc(ccc2c1)NCc3nccs3 7a_100000211940_100015184050 [0,0,0,0,0,1|1,0,2]=4 417 B19R3.62425 c1ccc2cc(ccc2c1)NCc3ncon3 34a_100000211940_100000233494 [0,0,0,0,0,1|1,0,2]=4 418 B19R3.62425 c1ccc2cc(ccc2c1)NCc3nnn[nH]3 34a_100000211940_100000765167 [0,0,0,0,0,1|2,0,0]=3 419 B19R3.62425 c1ccc2cc(ccc2c1)NCc3nnn[nH]3 7a_100000211940_100000765167 [0,0,0,0,0,1|2,0,0]=3 420 B19R3.62425 c1ccc2cc(ccc2c1)NN=C3CCCC3 4a_100016987534_100000210133 [0,0,0,0,0,1|3,0,0]=4 421 B19R3.62425 c1ccc2cc(ccc2c1)OCC3=NCCN3 34a_100000185828_100000737910 [0,0,0,0,0,1|0,0,0]=1 422 B19R3.62425 c1ccc2cc(ccc2c1)OCC3=NCCN3 7a_100000185828_100000737910 [0,0,0,0,0,1|0,0,0]=1 423 B19R3.62425 c1ccc2cc(ccc2c1)OCC3CCCC3 34a_100000185828_100000740388 [0,0,0,0,0,1|2,0,1]=4 424 B19R3.62425 c1ccc2cc(ccc2c1)OCC3CCCC3 7a_100000185828_100000740388 [0,0,0,0,0,1|2,0,1]=4 425 B19R3.62425 c1ccc2cc(ccc2c1)OCC3CCCO3 7a_100000185828_100000203698 [0,0,0,0,0,1|2,0,1]=4 426 B19R3.62425 c1ccc2cc(ccc2c1)OCC3OCCO3 34a_100000185828_100000755774 [0,0,0,0,0,1|2,0,1]=4 427 B19R3.62425 c1ccc2cc(ccc2c1)OCC3OCCO3 7a_100000185828_100000755774 [0,0,0,0,0,1|2,0,1]=4 428 B19R3.62425 c1ccc2cc(ccc2c1)OCc3c[nH]cn3 34a_100000185828_100000707719 [0,0,0,0,0,1|2,0,1]=4 429 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ccn[nH]3 34a_100000185828_100000728653 [0,0,0,0,0,1|2,0,1]=4 430 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ccn[nH]3 7a_100000185828_100000728653 [0,0,0,0,0,1|2,0,1]=4 431 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ccon3 34a_100000185828_100000234950 [0,0,0,0,0,1|2,0,1]=4 432 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ccon3 7a_100000185828_100000234950 [0,0,0,0,0,1|2,0,1]=4 433 B19R3.62425 c1ccc2cc(ccc2c1)OCc3cscn3 34a_100000185828_100000205941 [0,0,0,0,0,1|2,0,1]=4 434 B19R3.62425 c1ccc2cc(ccc2c1)OCc3cscn3 7a_100000185828_100000205941 [0,0,0,0,0,1|2,0,1]=4 435 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ncc[nH]3 34a_100000185828_100016991755 [0,0,0,0,0,1|0,0,2]=3 436 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ncc[nH]3 7a_100000185828_100000753453 [0,0,0,0,0,1|0,0,2]=3 437 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ncco3 34a_100000185828_103436540062 [0,0,0,0,0,1|1,0,2]=4 438 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ncco3 7a_100000185828_103436540062 [0,0,0,0,0,1|1,0,2]=4 439 B19R3.62425 c1ccc2cc(ccc2c1)OCc3nccs3 34a_100000185828_100015184050 [0,0,0,0,0,1|1,0,2]=4 440 B19R3.62425 c1ccc2cc(ccc2c1)OCc3nccs3 7a_100000185828_100015184050 [0,0,0,0,0,1|1,0,2]=4 441 B19R3.62425 c1ccc2cc(ccc2c1)OCc3ncon3 34a_100000185828_100000233494 [0,0,0,0,0,1|1,0,2]=4 442 B19R3.62425 c1ccc2cc(ccc2c1)OCc3nnn[nH]3 34a_100000185828_100000765167 [0,0,0,0,0,1|2,0,0]=3 443 B19R3.62425 c1ccc2cc(ccc2c1)OCc3nnn[nH]3 7a_100000185828_100000765167 [0,0,0,0,0,1|2,0,0]=3 444 B19R3.62425 c1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100000233703 [0,0,0,0,0,1|0,0,0]=1 445 B19R3.62425 c1ccc2cc(ccc2c1)SCC3CCCC3 62a_100000740388_100000233703 [0,0,0,0,0,1|2,0,1]=4 446 B19R3.62425 c1ccc2cc(ccc2c1)SCC3CCCO3 62a_100000203698_100000233703 [0,0,0,0,0,1|2,0,1]=4 447 B19R3.62425 c1ccc2cc(ccc2c1)SCC3OCCO3 62a_100000755774_100000233703 [0,0,0,0,0,1|2,0,1]=4 448 B19R3.62425 c1ccc2cc(ccc2c1)SCc3c[nH]cn3 62a_100000707719_100000233703 [0,0,0,0,0,1|2,0,1]=4 449 B19R3.62425 c1ccc2cc(ccc2c1)SCc3ccn[nH]3 62a_100000728653_100000233703 [0,0,0,0,0,1|2,0,1]=4 450 B19R3.62425 c1ccc2cc(ccc2c1)SCc3ccon3 62a_100000234950_100000233703 [0,0,0,0,0,1|2,0,1]=4 451 B19R3.62425 c1ccc2cc(ccc2c1)SCc3cscn3 62a_100000205941_100000233703 [0,0,0,0,0,1|2,0,1]=4 452 B19R3.62425 c1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100000233703 [0,0,0,0,0,1|0,0,2]=3 453 B19R3.62425 c1ccc2cc(ccc2c1)SCc3ncco3 62a_103436540062_100000233703 [0,0,0,0,0,1|1,0,2]=4 454 B19R3.62425 c1ccc2cc(ccc2c1)SCc3nccs3 62a_100015184050_100000233703 [0,0,0,0,0,1|1,0,2]=4 455 B19R3.62425 c1ccc2cc(ccc2c1)SCc3ncon3 62a_100000233494_100000233703 [0,0,0,0,0,1|1,0,2]=4 456 B19R3.62425 c1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100000233703 [0,0,0,0,0,1|2,0,0]=3 457 B19R3.62425 c1ccc2cc(ncc2c1)CSc3ncc[nH]3 62a_100009869231_100025796157 [0,0,0,0,0,1|1,0,2]=4 458 B19R3.62425 c1ccc2cc(ncc2c1)CSc3ncc[nH]3 62a_100025796157_100009869231 [0,0,0,0,0,1|1,0,2]=4 459 B19R3.62425 c1ccc2cc(ncc2c1)SCC3=NCCN3 62a_100000737910_100000047361 [0,0,0,0,0,1|1,0,0]=2 460 B19R3.62425 c1ccc2cc(ncc2c1)SCC3=NCCN3 62a_100009816522_100000737910 [0,0,0,0,0,1|1,0,0]=2 461 B19R3.62425 c1ccc2cc(ncc2c1)SCc3ncc[nH]3 62a_100009816522_100016991755 [0,0,0,0,0,1|1,0,2]=4 462 B19R3.62425 c1ccc2cc(ncc2c1)SCc3ncc[nH]3 62a_100016991755_100000047361 [0,0,0,0,0,1|1,0,2]=4 463 B19R3.62425 c1ccc2cc(ncc2c1)SCc3nnn[nH]3 62a_100000765167_100000047361 [0,0,0,0,0,1|3,0,0]=4 464 B19R3.62425 c1ccc2cc(ncc2c1)SCc3nnn[nH]3 62a_100009816522_100000765167 [0,0,0,0,0,1|3,0,0]=4 465 B19R3.62425 c1ccc2nc(ccc2c1)CSc3ncc[nH]3 62a_100000737579_100025796157 [0,0,0,0,0,1|1,0,2]=4 466 B19R3.62425 c1ccc2nc(ccc2c1)CSc3ncc[nH]3 62a_100025796157_100000737579 [0,0,0,0,0,1|1,0,2]=4 467 B19R3.62425 c1ccc2nc(ccc2c1)NCc3ncc[nH]3 27a_100000754540_100011291633 [0,0,0,0,0,1|1,0,2]=4 468 B19R3.62425 c1ccc2nc(ccc2c1)NCc3nnc[nH]3 27a_200015183720_100011291633 [0,0,0,0,0,1|2,0,1]=4 469 B19R3.62425 c1ccc2nc(ccc2c1)NCc3nnn[nH]3 27a_100000739814_100011291633 [0,0,0,0,0,1|3,0,0]=4 470 B19R3.62425 c1ccc2nc(ccc2c1)SCC3=NCCN3 62a_100000737910_100011291633 [0,0,0,0,0,1|1,0,0]=2 471 B19R3.62425 c1ccc2nc(ccc2c1)SCC3=NCCN3 62a_100011291633_100000737910 [0,0,0,0,0,1|1,0,0]=2 472 B19R3.62425 c1ccc2nc(ccc2c1)SCc3ncc[nH]3 62a_100011291633_100016991755 [0,0,0,0,0,1|1,0,2]=4 473 B19R3.62425 c1ccc2nc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100011291633 [0,0,0,0,0,1|1,0,2]=4 474 B19R3.62425 c1ccc2nc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100011291633 [0,0,0,0,0,1|3,0,0]=4 475 B19R3.62425 c1ccc2nc(ccc2c1)SCc3nnn[nH]3 62a_100011291633_100000765167 [0,0,0,0,0,1|3,0,0]=4 476 B19R3.62425 c1ccc2nc(cnc2c1)SCC3=NCCN3 62a_100000737910_100000756483 [0,0,0,0,0,1|2,0,0]=3 477 B19R3.62425 c1ccc2nc(cnc2c1)SCC3=NCCN3 62a_100000756483_100000737910 [0,0,0,0,0,1|2,0,0]=3 478 B19R3.62425 c1ccc2nc(ncc2c1)SCC3=NCCN3 62a_100000737910_100000097389 [0,0,0,0,0,1|2,0,0]=3 479 B19R3.62425 c1ccc2ncc(cc2c1)OCC3=NCCN3 34a_100011934006_100000737910 [0,0,0,0,0,1|1,0,0]=2 480 B19R3.62425 c1ccc2ncc(cc2c1)OCC3=NCCN3 7a_100011934006_100000737910 [0,0,0,0,0,1|1,0,0]=2 481 B19R3.62425 c1ccc2ncc(cc2c1)OCc3ncc[nH]3 34a_100011934006_100016991755 [0,0,0,0,0,1|1,0,2]=4 482 B19R3.62425 c1ccc2ncc(cc2c1)OCc3ncc[nH]3 7a_100011934006_100000753453 [0,0,0,0,0,1|1,0,2]=4 483 B19R3.62425 c1ccc2ncc(cc2c1)OCc3nnn[nH]3 34a_100011934006_100000765167 [0,0,0,0,0,1|3,0,0]=4 484 B19R3.62425 c1ccc2ncc(cc2c1)OCc3nnn[nH]3 7a_100011934006_100000765167 [0,0,0,0,0,1|3,0,0]=4 485 B19R3.62425 c1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100000737910_100000737414 [0,0,0,0,0,1|1,0,0]=2 486 B19R3.62425 c1ccc2ncc(cc2c1)SCc3ncc[nH]3 62a_100016991755_100000737414 [0,0,0,0,0,1|1,0,2]=4 487 B19R3.62425 c1ccc2ncc(cc2c1)SCc3nnn[nH]3 62a_100000765167_100000737414 [0,0,0,0,0,1|3,0,0]=4 488 B19R3.62425 c1cnc2cc(ccc2c1)NCC3=NCCN3 34a_100102887122_100000737910 [0,0,0,0,0,1|1,0,0]=2 489 B19R3.62425 c1cnc2cc(ccc2c1)NCc3ncc[nH]3 207a_100102887122_100000743867 [0,0,0,0,0,1|1,0,2]=4 490 B19R3.62425 c1cnc2cc(ccc2c1)NCc3ncc[nH]3 34a_100102887122_100016991755 [0,0,0,0,0,1|1,0,2]=4 491 B19R3.62425 c1cnc2cc(ccc2c1)NCc3nnn[nH]3 34a_100102887122_100000765167 [0,0,0,0,0,1|3,0,0]=4 492 B19R3.62425 c1cnc2cc(ccc2c1)OCC3=NCCN3 34a_100011216045_100000737910 [0,0,0,0,0,1|1,0,0]=2 493 B19R3.62425 c1cnc2cc(ccc2c1)OCc3ncc[nH]3 34a_100011216045_100016991755 [0,0,0,0,0,1|1,0,2]=4 494 B19R3.62425 c1cnc2cc(ccc2c1)OCc3nnn[nH]3 34a_100011216045_100000765167 [0,0,0,0,0,1|3,0,0]=4 495 B19R3.62425 c1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100009816655 [0,0,0,0,0,1|1,0,0]=2 496 B19R3.62425 c1cnc2cc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100009816655 [0,0,0,0,0,1|1,0,2]=4 497 B19R3.62425 c1cnc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100009816655 [0,0,0,0,0,1|3,0,0]=4 498 B19R3.62425 c1cnc2cc(ccc2n1)NCC3=NCCN3 34a_100011219565_100000737910 [0,0,0,0,0,1|2,0,0]=3 499 B19R3.62425 c1cnc2cc(ccc2n1)OCC3=NCCN3 34a_100000694412_100000737910 [0,0,0,0,0,1|2,0,0]=3 500 B19R3.62425 c1cnc2cc(ccc2n1)SCC3=NCCN3 62a_100000737910_100011219451 [0,0,0,0,0,1|2,0,0]=3 501 B19R3.62425 c1cnc2cc(ccc2n1)SCC3=NCCN3 62a_100011219451_100000737910 [0,0,0,0,0,1|2,0,0]=3 502 B19R3.62425 c1cnc2cc(cnc2c1)SCC3=NCCN3 62a_100000737910_100010246316 [0,0,0,0,0,1|2,0,0]=3 503 B19R3.62425 c1cnc2cc(cnc2c1)SCC3=NCCN3 62a_100010246316_100000737910 [0,0,0,0,0,1|2,0,0]=3 504 B19R3.62425 c1cnc2cc(ncc2n1)SCC3=NCCN3 62a_100000737910_100010370699 [0,0,0,0,0,1|3,0,0]=4 505 B19R3.62425 c1cnc2cc(ncc2n1)SCC3=NCCN3 62a_100010370699_100000737910 [0,0,0,0,0,1|3,0,0]=4 506 B19R3.62425 c1cnc2ccc(cc2c1)CSc3ncc[nH]3 62a_100000703657_100025796157 [0,0,0,0,0,1|1,0,2]=4 507 B19R3.62425 c1cnc2ccc(cc2c1)CSc3ncc[nH]3 62a_100025796157_100000703657 [0,0,0,0,0,1|1,0,2]=4 508 B19R3.62425 c1cnc2ccc(cc2c1)NCC3=NCCN3 34a_100011198106_100000737910 [0,0,0,0,0,1|1,0,0]=2 509 B19R3.62425 c1cnc2ccc(cc2c1)NCc3ncc[nH]3 207a_100011198106_100000743867 [0,0,0,0,0,1|1,0,2]=4 510 B19R3.62425 c1cnc2ccc(cc2c1)NCc3ncc[nH]3 34a_100011198106_100016991755 [0,0,0,0,0,1|1,0,2]=4 511 B19R3.62425 c1cnc2ccc(cc2c1)NCc3nnn[nH]3 34a_100011198106_100000765167 [0,0,0,0,0,1|3,0,0]=4 512 B19R3.62425 c1cnc2ccc(cc2c1)OCC3=NCCN3 34a_100011215586_100000737910 [0,0,0,0,0,1|1,0,0]=2 513 B19R3.62425 c1cnc2ccc(cc2c1)OCC3=NCCN3 7a_100011215586_100000737910 [0,0,0,0,0,1|1,0,0]=2 514 B19R3.62425 c1cnc2ccc(cc2c1)OCc3ncc[nH]3 34a_100011215586_100016991755 [0,0,0,0,0,1|1,0,2]=4 515 B19R3.62425 c1cnc2ccc(cc2c1)OCc3ncc[nH]3 7a_100011215586_100000753453 [0,0,0,0,0,1|1,0,2]=4 516 B19R3.62425 c1cnc2ccc(cc2c1)OCc3nnn[nH]3 34a_100011215586_100000765167 [0,0,0,0,0,1|3,0,0]=4 517 B19R3.62425 c1cnc2ccc(cc2c1)OCc3nnn[nH]3 7a_100011215586_100000765167 [0,0,0,0,0,1|3,0,0]=4 518 B19R3.62425 c1cnc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_100011215947 [0,0,0,0,0,1|1,0,0]=2 519 B19R3.62425 c1cnc2ccc(cc2c1)SCC3=NCCN3 62a_100011215947_100000737910 [0,0,0,0,0,1|1,0,0]=2 520 B19R3.62425 c1cnc2ccc(cc2c1)SCc3ncc[nH]3 62a_100011215947_100016991755 [0,0,0,0,0,1|1,0,2]=4 521 B19R3.62425 c1cnc2ccc(cc2c1)SCc3ncc[nH]3 62a_100016991755_100011215947 [0,0,0,0,0,1|1,0,2]=4 522 B19R3.62425 c1cnc2ccc(cc2c1)SCc3nnn[nH]3 62a_100000765167_100011215947 [0,0,0,0,0,1|3,0,0]=4 523 B19R3.62425 c1cnc2ccc(cc2c1)SCc3nnn[nH]3 62a_100011215947_100000765167 [0,0,0,0,0,1|3,0,0]=4 524 B19R3.62425 c1cnc2ccc(nc2c1)SCC3=NCCN3 62a_100000737910_100000073381 [0,0,0,0,0,1|2,0,0]=3 525 B19R3.62425 c1cnc2nc(ccc2c1)SCC3=NCCN3 62a_100000075685_100000737910 [0,0,0,0,0,1|2,0,0]=3 526 B19R3.62425 c1cnc2nc(ccc2c1)SCC3=NCCN3 62a_100000737910_100000075685 [0,0,0,0,0,1|2,0,0]=3 527 B19R3.62425 c1cnc2nc(ccc2n1)SCC3=NCCN3 62a_100000737910_100012351543 [0,0,0,0,0,1|3,0,0]=4 528 B19R3.62425 c1cnc2nc(ccc2n1)SCC3=NCCN3 62a_100012351543_100000737910 [0,0,0,0,0,1|3,0,0]=4 529 B19R3.62425 c1cnc2nc(cnc2c1)SCC3=NCCN3 62a_100000737910_200010275043 [0,0,0,0,0,1|3,0,0]=4 530 B19R3.62425 c1cnc2nc(cnc2c1)SCC3=NCCN3 62a_200010275043_100000737910 [0,0,0,0,0,1|3,0,0]=4 531 B19R3.62425 c1cnc2nc(ncc2c1)SCC3=NCCN3 62a_100000737910_100009875485 [0,0,0,0,0,1|3,0,0]=4 532 B19R3.62425 c1cnc2nc(ncc2c1)SCC3=NCCN3 62a_100009875485_100000737910 [0,0,0,0,0,1|3,0,0]=4 533 B19R3.62425 c1cnc2ncc(cc2n1)SCC3=NCCN3 62a_100000737910_100000753224 [0,0,0,0,0,1|3,0,0]=4 534 B19R3.62425 c1cnc2ncc(cc2n1)SCC3=NCCN3 62a_100000753224_100000737910 [0,0,0,0,0,1|3,0,0]=4 535 B19R3.62425 c1cnc2ncc(nc2c1)SCC3=NCCN3 62a_100000084304_100000737910 [0,0,0,0,0,1|3,0,0]=4 536 B19R3.62425 c1cnc2ncc(nc2c1)SCC3=NCCN3 62a_100000737910_100000084304 [0,0,0,0,0,1|3,0,0]=4 537 B19R3.62425 c1ncc2cc(ccc2n1)SCC3=NCCN3 62a_100000737910_100009989443 [0,0,0,0,0,1|2,0,0]=3 538 B19R3.62425 c1ncc2cc(ccc2n1)SCC3=NCCN3 62a_100009989443_100000737910 [0,0,0,0,0,1|2,0,0]=3 539 B19R3.62425 c1ncc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100010185614 [0,0,0,0,0,1|2,0,0]=3 540 B19R3.62425 c1ncc2ccc(cc2n1)SCC3=NCCN3 62a_100010185614_100000737910 [0,0,0,0,0,1|2,0,0]=3 541 B16R2.2441 BrCCOCc1ccc2ccccc2c1 34a_100000211926_100011216711 [1,0,1,0,0,0|2,0,0]=4 542 B16R2.2441 C#CCNCc1ccc2ccccc2c1 2230a_100000739491_100000038162 [1,0,1,0,0,0|1,0,1]=4 543 B16R2.2441 C#CCNCc1ccc2ccccc2c1 34a_100000212058_100011216711 [1,0,1,0,0,0|1,0,1]=4 544 B16R2.2441 C#CCNCc1ccc2ccccc2c1 34a_100000739491_100000184674 [1,0,1,0,0,0|1,0,1]=4 545 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210623 [1,0,1,0,0,0|1,0,1]=4 546 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100020586998_100011216711 [1,0,1,0,0,0|1,0,1]=4 547 B16R2.2441 C=CCNCc1ccc2ccccc2c1 270004a_100020586998_100000211584 [1,0,1,0,0,0|1,0,1]=4 548 B16R2.2441 C=CCNCc1ccc2ccccc2c1 34a_100000739491_100015514636 [1,0,1,0,0,0|1,0,1]=4 549 B16R2.2441 CCCC=Cc1ccc2ccccc2c1 271570a_100016258520_100000233703 [1,0,1,0,0,0|1,0,1]=4 550 B16R2.2441 CCCNCc1cc2ccccc2cn1 207a_100020643023_100000059776 [1,0,1,0,0,0|2,0,0]=4 551 B16R2.2441 CCCNCc1cc2ccccc2cn1 270004a_100020643023_100000059776 [1,0,1,0,0,0|2,0,0]=4 552 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [1,0,1,0,0,0|1,0,0]=3 553 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [1,0,1,0,0,0|1,0,0]=3 554 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [1,0,1,0,0,0|1,0,0]=3 555 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [1,0,1,0,0,0|1,0,0]=3 556 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [1,0,1,0,0,0|2,0,0]=4 557 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [1,0,1,0,0,0|2,0,0]=4 558 B16R2.2441 CCCNCc1ccc2cccnc2c1 207a_100020643023_100011784159 [1,0,1,0,0,0|2,0,0]=4 559 B16R2.2441 CCCNCc1ccc2cccnc2c1 270004a_100020643023_100011784159 [1,0,1,0,0,0|2,0,0]=4 560 B16R2.2441 CCCNCc1ccc2cnccc2c1 207a_100020643023_100000068276 [1,0,1,0,0,0|2,0,0]=4 561 B16R2.2441 CCCNCc1ccc2cnccc2c1 270004a_100020643023_100000068276 [1,0,1,0,0,0|2,0,0]=4 562 B16R2.2441 CCCNCc1ccc2ncccc2c1 207a_100020643023_100000211315 [1,0,1,0,0,0|2,0,0]=4 563 B16R2.2441 CCCNCc1ccc2ncccc2c1 270004a_100020643023_100000211315 [1,0,1,0,0,0|2,0,0]=4 564 B16R2.2441 CCCNCc1ccc2ncccc2c1 34a_100000238500_100000210303 [1,0,1,0,0,0|2,0,0]=4 565 B16R2.2441 CCCNCc1cnc2ccccc2c1 207a_100020643023_100000750898 [1,0,1,0,0,0|2,0,0]=4 566 B16R2.2441 CCCNCc1cnc2ccccc2c1 270004a_100020643023_100000750898 [1,0,1,0,0,0|2,0,0]=4 567 B16R2.2441 CCCNCc1cnc2ccccc2c1 34a_100000742225_100000210303 [1,0,1,0,0,0|2,0,0]=4 568 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [1,0,1,0,0,0|2,0,0]=4 569 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [1,0,1,0,0,0|2,0,0]=4 570 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [1,0,1,0,0,0|2,0,0]=4 571 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [1,0,1,0,0,0|2,0,0]=4 572 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [1,0,1,0,0,0|2,0,0]=4 573 B16R2.2441 CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210202 [1,0,1,0,0,0|0,0,1]=3 574 B16R2.2441 CCNCCc1ccc2ccccc2c1 34a_100000746582_100000210202 [1,0,1,0,0,0|0,0,1]=3 575 B16R2.2441 CCNN=Cc1ccc2ccccc2c1 4a_100000756455_100000211584 [1,0,1,0,0,0|1,0,1]=4 576 B16R2.2441 CCOC=Cc1ccc2ccccc2c1 271570a_100016256518_100000233703 [1,0,1,0,0,0|1,0,1]=4 577 B16R2.2441 CCOCCc1ccc2ccccc2c1 34a_100000755654_100000210202 [1,0,1,0,0,0|1,0,1]=4 578 B16R2.2441 CCOCCc1ccc2ccccc2c1 7a_100000755654_100000210202 [1,0,1,0,0,0|1,0,1]=4 579 B16R2.2441 COCNCc1ccc2ccccc2c1 2230a_100000739491_100000766300 [1,0,1,0,0,0|2,0,0]=4 580 B16R2.2441 CSCNCc1ccc2ccccc2c1 2230a_100000739491_100011218213 [1,0,1,0,0,0|2,0,0]=4 581 B16R2.2441 CSCNCc1ccc2ccccc2c1 34a_100000739491_100011218213 [1,0,1,0,0,0|2,0,0]=4 582 B16R2.2441 FCCNCc1cc2ccccc2cn1 34a_100000724931_100009869231 [1,0,1,0,0,0|2,0,0]=4 583 B16R2.2441 FCCNCc1ccc2ccccc2c1 2230a_100000739491_100011217306 [1,0,1,0,0,0|1,0,0]=3 584 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000724931_100011216711 [1,0,1,0,0,0|1,0,0]=3 585 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000739491_100011217306 [1,0,1,0,0,0|1,0,0]=3 586 B16R2.2441 FCCNCc1ccc2ccccc2n1 34a_100000724931_100000737579 [1,0,1,0,0,0|2,0,0]=4 587 B16R2.2441 FCCNCc1ccc2cnccc2c1 34a_100000724931_100020605334 [1,0,1,0,0,0|2,0,0]=4 588 B16R2.2441 FCCNCc1ccc2ncccc2c1 34a_100000238500_100011217306 [1,0,1,0,0,0|2,0,0]=4 589 B16R2.2441 FCCNCc1ccc2ncccc2c1 34a_100000724931_100000703657 [1,0,1,0,0,0|2,0,0]=4 590 B16R2.2441 FCCNCc1cnc2ccccc2c1 34a_100000742225_100011217306 [1,0,1,0,0,0|2,0,0]=4 591 B16R2.2441 FCCOCc1ccc2ccccc2c1 34a_100011215330_100011217306 [1,0,1,0,0,0|2,0,0]=4 592 B16R2.2441 FCCOCc1ccc2ccccc2c1 7a_100011215330_100011217306 [1,0,1,0,0,0|2,0,0]=4 593 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011216711_100011217306 [1,0,1,0,0,0|2,0,0]=4 594 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011217306_100011216711 [1,0,1,0,0,0|2,0,0]=4 595 B16R2.2441 FCNCCc1ccc2ccccc2c1 34a_100000746582_100015361967 [1,0,1,0,0,0|1,0,1]=4 596 B16R2.2441 N#CCNCc1ccc2ccccc2c1 2230a_100000739491_100011215382 [1,0,1,0,0,0|0,0,2]=4 597 B16R2.2441 NCCOCc1cc2ccccc2cn1 34a_100000210304_100009869231 [1,0,1,0,0,0|2,0,0]=4 598 B16R2.2441 NCCOCc1ccc2ccccc2c1 34a_100000210304_100011216711 [1,0,1,0,0,0|1,0,0]=3 599 B16R2.2441 NCCOCc1ccc2ccccc2n1 34a_100000210304_100000737579 [1,0,1,0,0,0|2,0,0]=4 600 B16R2.2441 NCCOCc1ccc2cnccc2c1 34a_100000210304_100020605334 [1,0,1,0,0,0|2,0,0]=4 601 B16R2.2441 NCCOCc1ccc2ncccc2c1 34a_100000210304_100000703657 [1,0,1,0,0,0|2,0,0]=4 602 B16R2.2441 O=CCNCc1ccc2ccccc2c1 2230a_100000739491_200015260668 [1,0,1,0,0,0|1,0,1]=4 603 B16R2.2441 O=CCNCc1ccc2ccccc2c1 34a_100000739491_200009817547 [1,0,1,0,0,0|1,0,1]=4 604 B16R2.2441 OCCNCc1cc2ccccc2cn1 207a_100000210304_100000059776 [1,0,1,0,0,0|2,0,0]=4 605 B16R2.2441 OCCNCc1cc2ccccc2cn1 2230a_100016997473_100009869231 [1,0,1,0,0,0|2,0,0]=4 606 B16R2.2441 OCCNCc1cc2ccccc2cn1 270004a_100000210304_100000059776 [1,0,1,0,0,0|2,0,0]=4 607 B16R2.2441 OCCNCc1cc2ccccc2cn1 34a_100016990907_100009869231 [1,0,1,0,0,0|2,0,0]=4 608 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [1,0,1,0,0,0|1,0,0]=3 609 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [1,0,1,0,0,0|1,0,0]=3 610 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [1,0,1,0,0,0|1,0,0]=3 611 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [1,0,1,0,0,0|1,0,0]=3 612 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [1,0,1,0,0,0|1,0,0]=3 613 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [1,0,1,0,0,0|1,0,0]=3 614 B16R2.2441 OCCNCc1ccc2ccccc2n1 207a_100000210304_100000759686 [1,0,1,0,0,0|2,0,0]=4 615 B16R2.2441 OCCNCc1ccc2ccccc2n1 2230a_100016997473_100000737579 [1,0,1,0,0,0|2,0,0]=4 616 B16R2.2441 OCCNCc1ccc2ccccc2n1 270004a_100000210304_100000759686 [1,0,1,0,0,0|2,0,0]=4 617 B16R2.2441 OCCNCc1ccc2ccccc2n1 34a_100016990907_100000737579 [1,0,1,0,0,0|2,0,0]=4 618 B16R2.2441 OCCNCc1ccc2cccnc2c1 207a_100000210304_100011784159 [1,0,1,0,0,0|2,0,0]=4 619 B16R2.2441 OCCNCc1ccc2cccnc2c1 270004a_100000210304_100011784159 [1,0,1,0,0,0|2,0,0]=4 620 B16R2.2441 OCCNCc1ccc2cnccc2c1 207a_100000210304_100000068276 [1,0,1,0,0,0|2,0,0]=4 621 B16R2.2441 OCCNCc1ccc2cnccc2c1 2230a_100016997473_100020605334 [1,0,1,0,0,0|2,0,0]=4 622 B16R2.2441 OCCNCc1ccc2cnccc2c1 270004a_100000210304_100000068276 [1,0,1,0,0,0|2,0,0]=4 623 B16R2.2441 OCCNCc1ccc2cnccc2c1 34a_100016990907_100020605334 [1,0,1,0,0,0|2,0,0]=4 624 B16R2.2441 OCCNCc1ccc2ncccc2c1 207a_100000210304_100000211315 [1,0,1,0,0,0|2,0,0]=4 625 B16R2.2441 OCCNCc1ccc2ncccc2c1 2230a_100016997473_100000703657 [1,0,1,0,0,0|2,0,0]=4 626 B16R2.2441 OCCNCc1ccc2ncccc2c1 270004a_100000210304_100000211315 [1,0,1,0,0,0|2,0,0]=4 627 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100000238500_100000211926 [1,0,1,0,0,0|2,0,0]=4 628 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100016990907_100000703657 [1,0,1,0,0,0|2,0,0]=4 629 B16R2.2441 OCCNCc1cnc2ccccc2c1 207a_100000210304_100000750898 [1,0,1,0,0,0|2,0,0]=4 630 B16R2.2441 OCCNCc1cnc2ccccc2c1 270004a_100000210304_100000750898 [1,0,1,0,0,0|2,0,0]=4 631 B16R2.2441 OCCNCc1cnc2ccccc2c1 34a_100000742225_100000211926 [1,0,1,0,0,0|2,0,0]=4 632 B16R2.2441 OCCOCc1ccc2ccccc2c1 34a_100011215330_100000211926 [1,0,1,0,0,0|2,0,0]=4 633 B16R2.2441 OCCOCc1ccc2ccccc2c1 7a_100011215330_100000211926 [1,0,1,0,0,0|2,0,0]=4 634 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100000211926_100011216711 [1,0,1,0,0,0|2,0,0]=4 635 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100011216711_100000211926 [1,0,1,0,0,0|2,0,0]=4 636 B16R2.5347 CCC(=O)Cc1cc2ccccc2cn1 1458a_100000210414_100009869231 [1,0,1,0,0,0|2,0,0]=4 637 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [1,0,1,0,0,0|1,0,0]=3 638 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [1,0,1,0,0,0|1,0,0]=3 639 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 1458a_100000210414_100000737579 [1,0,1,0,0,0|2,0,0]=4 640 B16R2.5347 CCC(=O)Cc1ccc2cnccc2c1 1458a_100000210414_100020605334 [1,0,1,0,0,0|2,0,0]=4 641 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100000210414_100000703657 [1,0,1,0,0,0|2,0,0]=4 642 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210202 [1,0,1,0,0,0|2,0,0]=4 643 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [1,0,1,0,0,0|2,0,0]=4 644 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [1,0,1,0,0,0|2,0,0]=4 645 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [1,0,1,0,0,0|2,0,0]=4 646 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [1,0,1,0,0,0|2,0,0]=4 647 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210202 [1,0,1,0,0,0|2,0,0]=4 648 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000201282_200000210301 [1,0,1,0,0,0|2,0,0]=4 649 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000225621_100011216711 [1,0,1,0,0,0|2,0,0]=4 650 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000204670 [1,0,1,0,0,0|2,0,0]=4 651 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000201282_200000210301 [1,0,1,0,0,0|2,0,0]=4 652 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000225621_100011216711 [1,0,1,0,0,0|2,0,0]=4 653 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 2230a_100000201282_200025704644 [1,0,1,0,0,0|2,0,0]=4 654 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 269982a_100000201282_200025704644 [1,0,1,0,0,0|2,0,0]=4 655 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 11a_106832991635_100000181716 [1,0,1,0,0,0|1,0,0]=3 656 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 1626a_100102657272_100000181716 [1,0,1,0,0,0|1,0,0]=3 657 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 240690a_100102657272_100000181716 [1,0,1,0,0,0|1,0,0]=3 658 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 527a_100102657272_100000181716 [1,0,1,0,0,0|1,0,0]=3 659 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 11a_106832991635_100011218584 [1,0,1,0,0,0|2,0,0]=4 660 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 240690a_100102657272_100011218584 [1,0,1,0,0,0|2,0,0]=4 661 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 527a_100102657272_100011218584 [1,0,1,0,0,0|2,0,0]=4 662 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100102657272 [1,0,1,0,0,0|2,0,0]=4 663 B16R2.5347 CNC(C)Cc1ccc2ccccc2n1 270004a_106832991635_100011245913 [1,0,1,0,0,0|1,0,1]=4 664 B16R2.5347 O=C(CF)Cc1ccc2ccccc2c1 1458a_100000181716_100015361967 [1,0,1,0,0,0|2,0,0]=4 665 B16R2.5347 O=C(CO)Cc1ccc2ccccc2c1 1458a_100000210174_100011216711 [1,0,1,0,0,0|2,0,0]=4 666 B18R2.2032 CCNC(=O)Nc1ccc2ccc(cc2c1)Br 2430a_100010090036_100015525214 [0,1,1,0,0,0|2,0,0]=4 667 B18R2.2032 CCNC(=O)Nc1ccc2ccc(cc2c1)Br 512a_100010090036_100015525214 [0,1,1,0,0,0|2,0,0]=4 668 B18R2.2032 CCNC(=O)Nc1ccc2ccc(cc2c1)O 2430a_100015378740_100015525214 [0,1,1,0,0,0|2,0,0]=4 669 B18R2.2040 CCNC(=O)Nc1ccc2cccc(c2c1)O 2430a_100132313934_100015525214 [0,1,1,0,0,0|2,0,0]=4 670 B18R2.2054 CCCC(=O)Cc1ccc2ccccc2c1Br 1458a_100000211992_100009813938 [0,1,1,0,0,0|2,0,0]=4 671 B18R2.2054 CCNC(=O)Nc1ccc2ccccc2c1Br 2430a_100000705303_100015525214 [0,1,1,0,0,0|2,0,0]=4 672 B18R2.2054 CCNC(=O)Nc1ccc2ccccc2c1Cl 2430a_100000075557_100015525214 [0,1,1,0,0,0|2,0,0]=4 673 B18R2.2054 CCNC(=O)Nc1ccc2ccccc2c1O 2430a_100000007060_100015525214 [0,1,1,0,0,0|2,0,0]=4 674 B18R2.14699 CCNC(=O)N(C)c1ccc2ccccc2c1 512a_100015525214_100000181211 [0,1,1,0,0,0|2,0,0]=4 675 B18R2.30019 CCC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000758301 [0,1,1,0,0,0|2,0,0]=4 676 B18R2.30019 CCC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100011192722_100011216711 [0,1,1,0,0,0|2,0,0]=4 677 B18R2.30019 CCC(O)C(=O)Cc1ccc2ccccc2c1 1458a_100011196387_100011216711 [0,1,1,0,0,0|2,0,0]=4 678 B18R2.30019 CCN(C)C(=O)Cc1ccc2ccccc2c1 11a_100000225621_100000181716 [0,1,1,0,0,0|1,0,0]=3 679 B18R2.30019 CCN(C)C(=O)Cc1ccc2ccccc2c1 1626a_100000225621_100000181716 [0,1,1,0,0,0|1,0,0]=3 680 B18R2.30019 CCN(C)C(=O)Cc1ccc2ccccc2c1 240690a_100000225621_100000181716 [0,1,1,0,0,0|1,0,0]=3 681 B18R2.30019 CCN(C)C(=O)Cc1ccc2ccccc2c1 527a_100000225621_100000181716 [0,1,1,0,0,0|1,0,0]=3 682 B18R2.30019 CCN(C)C(=O)Cc1ccc2ncccc2c1 11a_100000225621_100011218584 [0,1,1,0,0,0|2,0,0]=4 683 B18R2.30019 CCN(C)C(=O)Cc1ccc2ncccc2c1 240690a_100000225621_100011218584 [0,1,1,0,0,0|2,0,0]=4 684 B18R2.30019 CCN(C)C(=O)Cc1ccc2ncccc2c1 527a_100000225621_100011218584 [0,1,1,0,0,0|2,0,0]=4 685 B18R2.30019 CCN(C)C(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100000225621 [0,1,1,0,0,0|2,0,0]=4 686 B18R2.33945 C#CCNC(=O)Cc1ccc2ccccc2c1 11a_100000212058_100000181716 [0,1,1,0,0,0|1,0,1]=4 687 B18R2.33945 C#CCNC(=O)Cc1ccc2ccccc2c1 1626a_100000212058_100000181716 [0,1,1,0,0,0|1,0,1]=4 688 B18R2.33945 C#CCNC(=O)Cc1ccc2ccccc2c1 240690a_100000212058_100000181716 [0,1,1,0,0,0|1,0,1]=4 689 B18R2.33945 C#CCNC(=O)Cc1ccc2ccccc2c1 527a_100000212058_100000181716 [0,1,1,0,0,0|1,0,1]=4 690 B18R2.33945 C=CCNC(=O)Cc1ccc2ccccc2c1 1626a_100020586998_100000181716 [0,1,1,0,0,0|1,0,1]=4 691 B18R2.33945 C=CCNC(=O)Cc1ccc2ccccc2c1 240690a_100020586998_100000181716 [0,1,1,0,0,0|1,0,1]=4 692 B18R2.33945 C=CCNC(=O)Cc1ccc2ccccc2c1 527a_100020586998_100000181716 [0,1,1,0,0,0|1,0,1]=4 693 B18R2.33945 CC=NNC(=O)Cc1ccc2ccccc2c1 4a_100000190070_200000210099 [0,1,1,0,0,0|1,0,1]=4 694 B18R2.33945 CCC#CC(=O)Cc1ccc2ccccc2c1 1458a_100011827653_100011216711 [0,1,1,0,0,0|2,0,0]=4 695 B18R2.33945 CCC=CC(=O)Cc1ccc2ccccc2c1 1458a_100000212282_100011216711 [0,1,1,0,0,0|2,0,0]=4 696 B18R2.33945 CCCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210211 [0,1,1,0,0,0|2,0,0]=4 697 B18R2.33945 CCCCC(=O)Cc1ccc2ccccc2c1 1458a_100000210183_100011216711 [0,1,1,0,0,0|2,0,0]=4 698 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 11a_100020643023_100000181716 [0,1,1,0,0,0|1,0,0]=3 699 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 1626a_100020643023_100000181716 [0,1,1,0,0,0|1,0,0]=3 700 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 240690a_100020643023_100000181716 [0,1,1,0,0,0|1,0,0]=3 701 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 527a_100020643023_100000181716 [0,1,1,0,0,0|1,0,0]=3 702 B18R2.33945 CCCNC(=O)Cc1ccc2ncccc2c1 11a_100020643023_100011218584 [0,1,1,0,0,0|2,0,0]=4 703 B18R2.33945 CCCNC(=O)Cc1ccc2ncccc2c1 240690a_100020643023_100011218584 [0,1,1,0,0,0|2,0,0]=4 704 B18R2.33945 CCCNC(=O)Cc1ccc2ncccc2c1 527a_100020643023_100011218584 [0,1,1,0,0,0|2,0,0]=4 705 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100020643023 [0,1,1,0,0,0|2,0,0]=4 706 B18R2.33945 CCNCC(=O)Nc1ccc2ccccc2c1 2230a_100015525214_200000182969 [0,1,1,0,0,0|2,0,0]=4 707 B18R2.33945 CCNCC(=O)Nc1ccc2ccccc2c1 2230a_200000168428_100000210202 [0,1,1,0,0,0|2,0,0]=4 708 B18R2.33945 CCNNC(=O)Cc1ccc2ccccc2c1 22a_100000756455_100000181716 [0,1,1,0,0,0|1,0,0]=3 709 B18R2.33945 CCNNC(=O)Cc1ccc2ncccc2c1 22a_100000756455_100011218584 [0,1,1,0,0,0|2,0,0]=4 710 B18R2.33945 CCOCC(=O)Cc1ccc2ccccc2c1 1458a_100000211967_100011216711 [0,1,1,0,0,0|2,0,0]=4 711 B18R2.33945 CCSCC(=O)Cc1ccc2ccccc2c1 1458a_100000230394_100011216711 [0,1,1,0,0,0|2,0,0]=4 712 B18R2.33945 COCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000233755 [0,1,1,0,0,0|2,0,0]=4 713 B18R2.33945 COCCC(=O)Cc1ccc2ccccc2c1 1458a_100000749529_100011216711 [0,1,1,0,0,0|2,0,0]=4 714 B18R2.33945 CSCCC(=O)Cc1ccc2ccccc2c1 1458a_100000174002_100011216711 [0,1,1,0,0,0|2,0,0]=4 715 B18R2.33945 CSCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000751147 [0,1,1,0,0,0|2,0,0]=4 716 B18R2.33945 N#CCNC(=O)Cc1ccc2ccccc2c1 1626a_100000734998_100000181716 [0,1,1,0,0,0|1,0,1]=4 717 B18R2.33945 N#CCNC(=O)Cc1ccc2ccccc2c1 527a_100000734998_100000181716 [0,1,1,0,0,0|1,0,1]=4 718 B18R2.33945 O=C(CCCF)Cc1ccc2ccccc2c1 1458a_100000181716_100011934791 [0,1,1,0,0,0|2,0,0]=4 719 B18R2.33945 O=C(CCCO)Cc1ccc2ccccc2c1 1458a_100000181716_100011215043 [0,1,1,0,0,0|2,0,0]=4 720 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCF 11a_100000724931_100000181716 [0,1,1,0,0,0|1,0,0]=3 721 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCF 1626a_100000724931_100000181716 [0,1,1,0,0,0|1,0,0]=3 722 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCF 240690a_100000724931_100000181716 [0,1,1,0,0,0|1,0,0]=3 723 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCF 527a_100000724931_100000181716 [0,1,1,0,0,0|1,0,0]=3 724 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCO 240690a_100000210304_100000181716 [0,1,1,0,0,0|1,0,0]=3 725 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCO 527a_100000210304_100000181716 [0,1,1,0,0,0|1,0,0]=3 726 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCF 11a_100000724931_100011218584 [0,1,1,0,0,0|2,0,0]=4 727 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCF 240690a_100000724931_100011218584 [0,1,1,0,0,0|2,0,0]=4 728 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCF 527a_100000724931_100011218584 [0,1,1,0,0,0|2,0,0]=4 729 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCO 240690a_100000210304_100011218584 [0,1,1,0,0,0|2,0,0]=4 730 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCO 527a_100000210304_100011218584 [0,1,1,0,0,0|2,0,0]=4 731 B18R2.33945 O=C(NCCF)Nc1ccc2ccccc2c1 2430a_100000211940_100000724931 [0,1,1,0,0,0|2,0,0]=4 732 B18R2.33945 O=C(NCCO)Nc1ccc2ccccc2c1 2430a_100000211940_100000210304 [0,1,1,0,0,0|2,0,0]=4 733 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210624 [0,1,1,0,0,0|2,0,0]=4 734 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000210554_100011216711 [0,1,1,0,0,0|2,0,0]=4 735 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 11a_100138425928_100000181716 [0,1,1,0,0,0|1,0,0]=3 736 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 1626a_100138425928_100000181716 [0,1,1,0,0,0|1,0,0]=3 737 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 240690a_100138425928_100000181716 [0,1,1,0,0,0|1,0,0]=3 738 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 527a_100138425928_100000181716 [0,1,1,0,0,0|1,0,0]=3 739 B18R2.71948 CC(C)NC(=O)Cc1ccc2ncccc2c1 11a_100138425928_100011218584 [0,1,1,0,0,0|2,0,0]=4 740 B18R2.71948 CC(C)NC(=O)Cc1ccc2ncccc2c1 240690a_100138425928_100011218584 [0,1,1,0,0,0|2,0,0]=4 741 B18R2.71948 CC(C)NC(=O)Cc1ccc2ncccc2c1 527a_100138425928_100011218584 [0,1,1,0,0,0|2,0,0]=4 742 B18R2.71948 CC(C)NC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100138425928 [0,1,1,0,0,0|2,0,0]=4 743 B18R2.71948 CC(O)CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100011218427 [0,1,1,0,0,0|2,0,0]=4 744 B18R2.71948 C[C@@H](O)CC(=O)Cc1ccc2ccccc2c1 1458a_100011933948_100011216711 [0,1,1,0,0,0|2,0,0]=4 745 B18R2.124646 CCCC(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000211992_100012356510 [0,1,1,0,0,0|2,0,0]=4 746 B18R2.124646 CCNC(=O)Nc1ccc2cc(ccc2c1)Br 2430a_100000185457_100015525214 [0,1,1,0,0,0|2,0,0]=4 747 B18R2.124731 CCNC(=O)Nc1cc(c2ccccc2c1)Br 2430a_100010089974_100015525214 [0,1,1,0,0,0|2,0,0]=4 748 B18R2.124774 CCNC(=O)Nc1cc2ccccc2cc1Br 2430a_100009991566_100015525214 [0,1,1,0,0,0|2,0,0]=4 749 B18R2.124774 CCNC(=O)Nc1cc2ccccc2cc1I 2430a_100009892810_100015525214 [0,1,1,0,0,0|2,0,0]=4 750 B18R2.124774 CCNC(=O)Nc1cc2ccccc2cc1O 2430a_106744474703_100015525214 [0,1,1,0,0,0|2,0,0]=4 751 B18R2.584300 CCNC(C)(C)Cc1ccc2ccccc2c1 2230a_100000104098_100000210202 [0,1,1,0,0,0|1,0,1]=4 752 B18R2.895465 CCNC(=O)Nc1ccc2c(cccc2c1)O 2430a_100000035793_100015525214 [0,1,1,0,0,0|2,0,0]=4 753 B18R2.2397 CCCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000210303 [0,1,1,0,0,0|1,0,1]=4 754 B18R2.2397 CCCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100000210303 [0,1,1,0,0,0|1,0,1]=4 755 B18R2.2397 OC(CNCCF)c1ccc2ccccc2c1 2230a_100000754022_100011217306 [0,1,1,0,0,0|1,0,1]=4 756 B18R2.2397 OC(CNCCF)c1ccc2ccccc2c1 34a_100000754022_100011217306 [0,1,1,0,0,0|1,0,1]=4 757 B18R2.2397 OCCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000211926 [0,1,1,0,0,0|1,0,1]=4 758 B18R2.2397 OCCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100000211926 [0,1,1,0,0,0|1,0,1]=4 759 B18R2.7514 NCCCOCc1ccc2ccccc2c1Br 34a_100000182051_100009813938 [0,1,1,0,0,0|2,0,0]=4 760 B18R2.9469 CC(CN)COCc1ccc2ccccc2c1 34a_100000744482_100011216711 [0,1,1,0,0,0|2,0,0]=4 761 B18R2.9469 CC(CO)NCCc1ccc2ccccc2c1 2230a_100000746582_100012180447 [0,1,1,0,0,0|1,0,1]=4 762 B18R2.9469 CC(CO)NCCc1ccc2ccccc2c1 34a_100000746582_100012180447 [0,1,1,0,0,0|1,0,1]=4 763 B18R2.9469 CCC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000758301 [0,1,1,0,0,0|1,0,1]=4 764 B18R2.9469 CCC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100011215416 [0,1,1,0,0,0|1,0,1]=4 765 B18R2.9469 NC[C@@H](F)COCc1ccc2ccccc2c1 34a_100015665980_100011216711 [0,1,1,0,0,0|2,0,0]=4 766 B18R2.9737 C#CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000688953 [0,1,1,0,0,0|1,0,1]=4 767 B18R2.9737 C#CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000688953 [0,1,1,0,0,0|1,0,1]=4 768 B18R2.9737 C=CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000754431 [0,1,1,0,0,0|1,0,1]=4 769 B18R2.9737 C=CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000754431 [0,1,1,0,0,0|1,0,1]=4 770 B18R2.9737 CCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210211 [0,1,1,0,0,0|1,0,1]=4 771 B18R2.9737 CCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210210 [0,1,1,0,0,0|1,0,1]=4 772 B18R2.9737 CNCCCOCc1ccc2ccccc2c1 34a_100000213112_100011216711 [0,1,1,0,0,0|2,0,0]=4 773 B18R2.9737 COCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011201679 [0,1,1,0,0,0|1,0,1]=4 774 B18R2.9737 COCCNCCc1ccc2ccccc2c1 34a_100000746582_100011201679 [0,1,1,0,0,0|1,0,1]=4 775 B18R2.9737 CSCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000751147 [0,1,1,0,0,0|1,0,1]=4 776 B18R2.9737 CSCCNCCc1ccc2ccccc2c1 34a_100000746582_100000212216 [0,1,1,0,0,0|1,0,1]=4 777 B18R2.9737 FCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011934791 [0,1,1,0,0,0|1,0,1]=4 778 B18R2.9737 FCCCNCCc1ccc2ccccc2c1 34a_100000746582_100011934791 [0,1,1,0,0,0|1,0,1]=4 779 B18R2.9737 N#CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011215226 [0,1,1,0,0,0|0,0,2]=4 780 B18R2.9737 NCCCCOCc1ccc2ccccc2c1 34a_100000750430_100011216711 [0,1,1,0,0,0|1,0,1]=4 781 B18R2.9737 OCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000230001 [0,1,1,0,0,0|1,0,1]=4 782 B18R2.9737 OCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000230001 [0,1,1,0,0,0|1,0,1]=4 783 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 2230a_100000746582_100000210760 [0,1,1,0,0,0|1,0,1]=4 784 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 270004a_100000746582_100000210432 [0,1,1,0,0,0|1,0,1]=4 785 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 34a_100000746582_100000210624 [0,1,1,0,0,0|1,0,1]=4 786 B18R2.9909 CC(O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100011218427 [0,1,1,0,0,0|1,0,1]=4 787 B18R2.9909 CC(O)CNCCc1ccc2ccccc2c1 34a_100000746582_100011218427 [0,1,1,0,0,0|1,0,1]=4 788 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2c1 34a_100000706166_100011216711 [0,1,1,0,0,0|2,0,0]=4 789 B18R2.9909 C[C@@H](O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100009817552 [0,1,1,0,0,0|1,0,1]=4 790 B18R2.9909 C[C@@H](O)CNCCc1ccc2ccccc2c1 34a_100000746582_100009817552 [0,1,1,0,0,0|1,0,1]=4 791 B18R2.9909 FC(F)CNCCc1ccc2ccccc2c1 2230a_100000746582_100011934356 [0,1,1,0,0,0|1,0,1]=4 792 B18R2.9909 FC(F)CNCCc1ccc2ccccc2c1 34a_100000746582_100011934356 [0,1,1,0,0,0|1,0,1]=4 793 B18R2.36301 NCCCOCc1ccc2cc(ccc2c1)Br 34a_100000182051_100012356510 [0,1,1,0,0,0|2,0,0]=4 794 B18R2.2114 C=CCN(CC1=NCCN1)Cc2ccccc2 269982a_100000196212_100000737910 [0,1,1,0,0,0|1,0,1]=4 795 B18R3.2942 Cc1c[nH]c(n1)c2ccc3ccccc3c2 271570a_100011218693_100161115468 [0,1,0,0,1,0|0,0,2]=4 796 B18R3.3053 Nc1ccc2ccc(cc2c1)C3=CCCC3 271570a_100000089523_100010090036 [0,1,0,0,1,0|2,0,0]=4 797 B18R3.3053 Nc1ccc2ccc(cc2c1)c3ncc[nH]3 271570a_100016988920_100010090036 [0,1,0,0,1,0|0,0,2]=4 798 B18R3.3053 Oc1ccc2ccc(cc2c1)C3=CCCC3 271570a_100000089523_100009816537 [0,1,0,0,1,0|2,0,0]=4 799 B18R3.3053 Oc1ccc2ccc(cc2c1)c3ncc[nH]3 271570a_100016988920_100009816537 [0,1,0,0,1,0|0,0,2]=4 800 B18R3.3824 Cn1ccnc1c2ccc3ccccc3c2 271570a_100011218693_100000707724 [0,1,0,0,1,0|0,0,2]=4 801 B18R3.3824 Cn1ncnc1c2ccc3ccccc3c2 271570a_100011218693_100000732653 [0,1,0,0,1,0|1,0,1]=4 802 B18R3.4383 Brc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_200010089984 [0,1,0,0,1,0|2,0,0]=4 803 B18R3.4383 Brc1c(ccc2c1cccc2)c3ncc[nH]3 271570a_100016988920_200010089984 [0,1,0,0,1,0|0,0,2]=4 804 B18R3.4383 Cc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100010221197 [0,1,0,0,1,0|2,0,0]=4 805 B18R3.4383 Cc1c(ccc2c1cccc2)c3ncc[nH]3 271570a_100011161507_100025796157 [0,1,0,0,1,0|0,0,2]=4 806 B18R3.4383 Cc1c(ccc2c1cccc2)c3ncc[nH]3 271570a_100016988920_100010221197 [0,1,0,0,1,0|0,0,2]=4 807 B18R3.4383 Fc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100009832041 [0,1,0,0,1,0|2,0,0]=4 808 B18R3.4383 Fc1c(ccc2c1cccc2)c3ncc[nH]3 271570a_100016988920_100009832041 [0,1,0,0,1,0|0,0,2]=4 809 B18R3.4383 Nc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100009817101 [0,1,0,0,1,0|2,0,0]=4 810 B18R3.4383 Nc1c(ccc2c1cccc2)c3ncc[nH]3 271570a_100016988920_100009817101 [0,1,0,0,1,0|0,0,2]=4 811 B18R3.4383 Oc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100009996032 [0,1,0,0,1,0|2,0,0]=4 812 B18R3.4383 Oc1c(ccc2c1cccc2)c3ncc[nH]3 271570a_100016988920_100009996032 [0,1,0,0,1,0|0,0,2]=4 813 B18R3.5872 Nc1cccc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100010090037 [0,1,0,0,1,0|2,0,0]=4 814 B18R3.5872 Nc1cccc2c1ccc(c2)c3ncc[nH]3 271570a_100016988920_100010090037 [0,1,0,0,1,0|0,0,2]=4 815 B18R3.5872 Oc1cccc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100010202202 [0,1,0,0,1,0|2,0,0]=4 816 B18R3.5872 Oc1cccc2c1ccc(c2)c3ncc[nH]3 271570a_100016988920_100010202202 [0,1,0,0,1,0|0,0,2]=4 817 B18R3.6367 Brc1cc2ccccc2cc1C3=CCCC3 271570a_100000089523_200010169544 [0,1,0,0,1,0|2,0,0]=4 818 B18R3.6367 Brc1cc2ccccc2cc1c3ncc[nH]3 271570a_100016988920_200010169544 [0,1,0,0,1,0|0,0,2]=4 819 B18R3.6367 Clc1cc2ccccc2cc1C3=CCCC3 271570a_100000089523_100010152806 [0,1,0,0,1,0|2,0,0]=4 820 B18R3.6367 Clc1cc2ccccc2cc1c3ncc[nH]3 271570a_100016988920_100010152806 [0,1,0,0,1,0|0,0,2]=4 821 B18R3.6367 Nc1cc2ccccc2cc1C3=CCCC3 271570a_100000089523_100009991566 [0,1,0,0,1,0|2,0,0]=4 822 B18R3.6367 Nc1cc2ccccc2cc1c3ncc[nH]3 271570a_100016988920_100009991566 [0,1,0,0,1,0|0,0,2]=4 823 B18R3.6367 Oc1cc2ccccc2cc1C3=CCCC3 271570a_100000089523_100009817189 [0,1,0,0,1,0|2,0,0]=4 824 B18R3.6367 Oc1cc2ccccc2cc1c3ncc[nH]3 271570a_100009888625_100025796157 [0,1,0,0,1,0|0,0,2]=4 825 B18R3.6367 Oc1cc2ccccc2cc1c3ncc[nH]3 271570a_100016988920_100009817189 [0,1,0,0,1,0|0,0,2]=4 826 B18R3.6548 Nc1cc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100010171453 [0,1,0,0,1,0|2,0,0]=4 827 B18R3.6548 Nc1cc(cc2c1cccc2)c3ncc[nH]3 271570a_100016988920_100010171453 [0,1,0,0,1,0|0,0,2]=4 828 B18R3.6548 Oc1cc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100010089979 [0,1,0,0,1,0|2,0,0]=4 829 B18R3.6548 Oc1cc(cc2c1cccc2)c3ncc[nH]3 271570a_100016988920_100010089979 [0,1,0,0,1,0|0,0,2]=4 830 B18R3.51705 Brc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100012344972 [0,1,0,0,1,0|2,0,0]=4 831 B18R3.51705 Brc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100010152634_100025796157 [0,1,0,0,1,0|0,0,2]=4 832 B18R3.51705 Brc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100012344972 [0,1,0,0,1,0|0,0,2]=4 833 B18R3.51705 Fc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100009817052 [0,1,0,0,1,0|2,0,0]=4 834 B18R3.51705 Fc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100009866154_100025796157 [0,1,0,0,1,0|0,0,2]=4 835 B18R3.51705 Fc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100009817052 [0,1,0,0,1,0|0,0,2]=4 836 B18R3.51705 Nc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100000185457 [0,1,0,0,1,0|2,0,0]=4 837 B18R3.51705 Nc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100000185457 [0,1,0,0,1,0|0,0,2]=4 838 B18R3.51705 Oc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100000185455 [0,1,0,0,1,0|2,0,0]=4 839 B18R3.51705 Oc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100000041922_100025796157 [0,1,0,0,1,0|0,0,2]=4 840 B18R3.51705 Oc1ccc2cc(ccc2c1)c3ncc[nH]3 271570a_100016988920_100000185455 [0,1,0,0,1,0|0,0,2]=4 841 B18R3.89733 Cc1cccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010089936 [0,1,0,0,1,0|2,0,0]=4 842 B18R3.89733 Cc1cccc2c1cc(cc2)c3ncc[nH]3 271570a_100016988920_100010089936 [0,1,0,0,1,0|0,0,2]=4 843 B18R3.89733 Nc1cccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010090012 [0,1,0,0,1,0|2,0,0]=4 844 B18R3.89733 Nc1cccc2c1cc(cc2)c3ncc[nH]3 271570a_100016988920_100010090012 [0,1,0,0,1,0|0,0,2]=4 845 B18R3.89733 Oc1cccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010089991 [0,1,0,0,1,0|2,0,0]=4 846 B18R3.89733 Oc1cccc2c1cc(cc2)c3ncc[nH]3 271570a_100016988920_100010089991 [0,1,0,0,1,0|0,0,2]=4 847 B18R3.4026 CC1CCN1Cc2ccc3ccccc3c2 269982a_100000755817_100011216711 [0,1,0,0,1,0|2,0,0]=4 848 B18R3.4026 CC1CCN1Cc2ccc3ccccc3c2 34a_100000755817_100011216711 [0,1,0,0,1,0|2,0,0]=4 849 B18R3.6185 Brc1cc2ccccc2cc1CN3CCC3 26a_100000754969_100009817189 [0,1,0,0,1,0|2,0,0]=4 850 B18R3.32120 Brc1ccc2ccc(cc2c1)CN3CCC3 26a_100000754969_100009816537 [0,1,0,0,1,0|2,0,0]=4 851 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 2230a_100000702820_100011216711 [0,1,0,0,1,0|2,0,0]=4 852 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000702820_100011216711 [0,1,0,0,1,0|2,0,0]=4 853 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 270004a_100000702820_100000211584 [0,1,0,0,1,0|2,0,0]=4 854 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 34a_100000702820_100011216711 [0,1,0,0,1,0|2,0,0]=4 855 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 2230a_100000690557_100011216711 [0,1,0,0,1,0|2,0,0]=4 856 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000690557_100011216711 [0,1,0,0,1,0|2,0,0]=4 857 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 270004a_100000690557_100000211584 [0,1,0,0,1,0|2,0,0]=4 858 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 34a_100000690557_100011216711 [0,1,0,0,1,0|2,0,0]=4 859 B18R3.55121 OC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000749847_100011216711 [0,1,0,0,1,0|2,0,0]=4 860 B18R3.100898 Brc1cc(cc2c1cccc2)CN3CCC3 26a_100000754969_100010001680 [0,1,0,0,1,0|2,0,0]=4 861 B18R3.405767 Brc1ccc2cc(ccc2c1)CN3CCC3 269982a_100000754969_100012356510 [0,1,0,0,1,0|2,0,0]=4 862 B18R3.405767 Brc1ccc2cc(ccc2c1)CN3CCC3 26a_100000754969_100000185455 [0,1,0,0,1,0|2,0,0]=4 863 B18R3.422385 Brc1c(ccc2c1cccc2)CN3CCC3 269982a_100000754969_100009813938 [0,1,0,0,1,0|2,0,0]=4 864 B18R3.422385 Brc1c(ccc2c1cccc2)CN3CCC3 26a_100000754969_100000183829 [0,1,0,0,1,0|2,0,0]=4 865 B18R3.834563 Brc1cccc2c1cc(cc2)CN3CCC3 26a_100000754969_100010169565 [0,1,0,0,1,0|2,0,0]=4 866 B20R3.12812 Brc1cc2ccccc2cc1NCC3=NCCN3 34a_100009991566_100000737910 [0,1,0,0,0,1|0,0,0]=2 867 B20R3.12812 Brc1cc2ccccc2cc1NCC3=NCCN3 7a_100009991566_100000737910 [0,1,0,0,0,1|0,0,0]=2 868 B20R3.12812 Brc1cc2ccccc2cc1NCc3ncc[nH]3 34a_100009991566_100016991755 [0,1,0,0,0,1|0,0,2]=4 869 B20R3.12812 Brc1cc2ccccc2cc1NCc3ncc[nH]3 7a_100009991566_100000753453 [0,1,0,0,0,1|0,0,2]=4 870 B20R3.12812 Brc1cc2ccccc2cc1NCc3nnn[nH]3 34a_100009991566_100000765167 [0,1,0,0,0,1|2,0,0]=4 871 B20R3.12812 Brc1cc2ccccc2cc1NCc3nnn[nH]3 7a_100009991566_100000765167 [0,1,0,0,0,1|2,0,0]=4 872 B20R3.12812 Brc1cc2ccccc2cc1OCC3=NCCN3 34a_100009817189_100000737910 [0,1,0,0,0,1|0,0,0]=2 873 B20R3.12812 Brc1cc2ccccc2cc1OCC3=NCCN3 7a_100009817189_100000737910 [0,1,0,0,0,1|0,0,0]=2 874 B20R3.12812 Brc1cc2ccccc2cc1OCc3ncc[nH]3 34a_100009817189_100016991755 [0,1,0,0,0,1|0,0,2]=4 875 B20R3.12812 Brc1cc2ccccc2cc1OCc3ncc[nH]3 7a_100009817189_100000753453 [0,1,0,0,0,1|0,0,2]=4 876 B20R3.12812 Brc1cc2ccccc2cc1OCc3nnn[nH]3 34a_100009817189_100000765167 [0,1,0,0,0,1|2,0,0]=4 877 B20R3.12812 Brc1cc2ccccc2cc1OCc3nnn[nH]3 7a_100009817189_100000765167 [0,1,0,0,0,1|2,0,0]=4 878 B20R3.12812 Brc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_200010169544 [0,1,0,0,0,1|0,0,0]=2 879 B20R3.12812 Brc1cc2ccccc2cc1SCC3=NCCN3 62a_200010169544_100000737910 [0,1,0,0,0,1|0,0,0]=2 880 B20R3.12812 Brc1cc2ccccc2cc1SCc3ncc[nH]3 62a_100016991755_200010169544 [0,1,0,0,0,1|0,0,2]=4 881 B20R3.12812 Brc1cc2ccccc2cc1SCc3ncc[nH]3 62a_200010169544_100016991755 [0,1,0,0,0,1|0,0,2]=4 882 B20R3.12812 Brc1cc2ccccc2cc1SCc3nnn[nH]3 62a_100000765167_200010169544 [0,1,0,0,0,1|2,0,0]=4 883 B20R3.12812 Brc1cc2ccccc2cc1SCc3nnn[nH]3 62a_200010169544_100000765167 [0,1,0,0,0,1|2,0,0]=4 884 B20R3.12812 Brc1cc2ccccc2nc1SCC3=NCCN3 62a_100000737910_100010072790 [0,1,0,0,0,1|1,0,0]=3 885 B20R3.12812 Brc1cc2ccccc2nc1SCC3=NCCN3 62a_100010072790_100000737910 [0,1,0,0,0,1|1,0,0]=3 886 B20R3.12812 Brc1cc2ncccc2cc1OCC3=NCCN3 34a_200010153759_100000737910 [0,1,0,0,0,1|1,0,0]=3 887 B20R3.12812 Brc1cc2ncccc2cc1OCC3=NCCN3 7a_200010153759_100000737910 [0,1,0,0,0,1|1,0,0]=3 888 B20R3.12812 Cc1cc2ccccc2cc1OCC3=NCCN3 34a_100000091601_100000737910 [0,1,0,0,0,1|0,0,0]=2 889 B20R3.12812 Cc1cc2ccccc2cc1OCC3=NCCN3 7a_100000091601_100000737910 [0,1,0,0,0,1|0,0,0]=2 890 B20R3.12812 Cc1cc2ccccc2cc1OCc3ncc[nH]3 34a_100000091601_100016991755 [0,1,0,0,0,1|0,0,2]=4 891 B20R3.12812 Cc1cc2ccccc2cc1OCc3ncc[nH]3 7a_100000091601_100000753453 [0,1,0,0,0,1|0,0,2]=4 892 B20R3.12812 Cc1cc2ccccc2cc1OCc3nnn[nH]3 34a_100000091601_100000765167 [0,1,0,0,0,1|2,0,0]=4 893 B20R3.12812 Cc1cc2ccccc2cc1OCc3nnn[nH]3 7a_100000091601_100000765167 [0,1,0,0,0,1|2,0,0]=4 894 B20R3.12812 Cc1cc2ccccc2nc1SCC3=NCCN3 62a_100000737910_100000751756 [0,1,0,0,0,1|1,0,0]=3 895 B20R3.12812 Cc1cc2cccnc2nc1SCC3=NCCN3 62a_100000737910_100009877248 [0,1,0,0,0,1|2,0,0]=4 896 B20R3.12812 Cc1cc2ncccc2cc1SCC3=NCCN3 62a_100000737910_100010137429 [0,1,0,0,0,1|1,0,0]=3 897 B20R3.12812 Cc1cc2ncccc2cc1SCC3=NCCN3 62a_100010137429_100000737910 [0,1,0,0,0,1|1,0,0]=3 898 B20R3.12812 Cc1cc2nccnc2cc1SCC3=NCCN3 62a_100000737910_100010080479 [0,1,0,0,0,1|2,0,0]=4 899 B20R3.12812 Cc1cc2nccnc2cc1SCC3=NCCN3 62a_100010080479_100000737910 [0,1,0,0,0,1|2,0,0]=4 900 B20R3.12812 Cc1nc2ccccc2cc1OCC3=NCCN3 34a_200000079175_100000737910 [0,1,0,0,0,1|1,0,0]=3 901 B20R3.12812 Cc1nc2ccccc2cc1OCC3=NCCN3 7a_200000079175_100000737910 [0,1,0,0,0,1|1,0,0]=3 902 B20R3.12812 Cc1nc2ccccc2nc1SCC3=NCCN3 62a_100000737910_100000185947 [0,1,0,0,0,1|2,0,0]=4 903 B20R3.12812 Cc1nc2ccccc2nc1SCC3=NCCN3 62a_100000757254_100000737910 [0,1,0,0,0,1|2,0,0]=4 904 B20R3.12812 Clc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100010152806 [0,1,0,0,0,1|0,0,0]=2 905 B20R3.12812 Clc1cc2ccccc2cc1SCC3=NCCN3 62a_100010152806_100000737910 [0,1,0,0,0,1|0,0,0]=2 906 B20R3.12812 Clc1cc2ccccc2cc1SCc3ncc[nH]3 62a_100010152806_100016991755 [0,1,0,0,0,1|0,0,2]=4 907 B20R3.12812 Clc1cc2ccccc2cc1SCc3ncc[nH]3 62a_100016991755_100010152806 [0,1,0,0,0,1|0,0,2]=4 908 B20R3.12812 Clc1cc2ccccc2cc1SCc3nnn[nH]3 62a_100000765167_100010152806 [0,1,0,0,0,1|2,0,0]=4 909 B20R3.12812 Clc1cc2ccccc2cc1SCc3nnn[nH]3 62a_100010152806_100000765167 [0,1,0,0,0,1|2,0,0]=4 910 B20R3.12812 Clc1nc2ccccc2cc1OCC3=NCCN3 34a_200000100762_100000737910 [0,1,0,0,0,1|1,0,0]=3 911 B20R3.12812 Clc1nc2ccccc2cc1OCC3=NCCN3 7a_200000100762_100000737910 [0,1,0,0,0,1|1,0,0]=3 912 B20R3.12812 Clc1nc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100010220712 [0,1,0,0,0,1|1,0,0]=3 913 B20R3.12812 Fc1cc2ccncc2cc1SCC3=NCCN3 62a_100000737910_100010244713 [0,1,0,0,0,1|1,0,0]=3 914 B20R3.12812 Fc1cc2ccncc2cc1SCC3=NCCN3 62a_100010244713_100000737910 [0,1,0,0,0,1|1,0,0]=3 915 B20R3.12812 Fc1cc2cnccc2cc1SCC3=NCCN3 62a_100000737910_100011105921 [0,1,0,0,0,1|1,0,0]=3 916 B20R3.12812 Fc1cc2cnccc2cc1SCC3=NCCN3 62a_100011105921_100000737910 [0,1,0,0,0,1|1,0,0]=3 917 B20R3.12812 Fc1cc2ncccc2cc1SCC3=NCCN3 62a_100000737910_100009854028 [0,1,0,0,0,1|1,0,0]=3 918 B20R3.12812 Fc1cc2ncccc2cc1SCC3=NCCN3 62a_100009854028_100000737910 [0,1,0,0,0,1|1,0,0]=3 919 B20R3.12812 Fc1cc2nccnc2cc1SCC3=NCCN3 62a_100000737910_100010080477 [0,1,0,0,0,1|2,0,0]=4 920 B20R3.12812 Fc1cc2nccnc2cc1SCC3=NCCN3 62a_100010080477_100000737910 [0,1,0,0,0,1|2,0,0]=4 921 B20R3.12812 Fc1nc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100011158909 [0,1,0,0,0,1|1,0,0]=3 922 B20R3.12812 Fc1nc2ccccc2cc1SCC3=NCCN3 62a_100011158909_100000737910 [0,1,0,0,0,1|1,0,0]=3 923 B20R3.12812 Nc1cc2ccccc2cc1OCC3=NCCN3 34a_106744474703_100000737910 [0,1,0,0,0,1|0,0,0]=2 924 B20R3.12812 Nc1cc2ccccc2cc1OCC3=NCCN3 7a_106744474703_100000737910 [0,1,0,0,0,1|0,0,0]=2 925 B20R3.12812 Nc1cc2ccccc2cc1OCc3ncc[nH]3 34a_106744474703_100016991755 [0,1,0,0,0,1|0,0,2]=4 926 B20R3.12812 Nc1cc2ccccc2cc1OCc3ncc[nH]3 7a_106744474703_100000753453 [0,1,0,0,0,1|0,0,2]=4 927 B20R3.12812 Nc1cc2ccccc2cc1OCc3nnn[nH]3 34a_106744474703_100000765167 [0,1,0,0,0,1|2,0,0]=4 928 B20R3.12812 Nc1cc2ccccc2cc1OCc3nnn[nH]3 7a_106744474703_100000765167 [0,1,0,0,0,1|2,0,0]=4 929 B20R3.12812 Nc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100009991566 [0,1,0,0,0,1|0,0,0]=2 930 B20R3.12812 Nc1cc2ccccc2cc1SCC3=NCCN3 62a_100009991566_100000737910 [0,1,0,0,0,1|0,0,0]=2 931 B20R3.12812 Nc1cc2ccccc2cc1SCc3ncc[nH]3 62a_100009991566_100016991755 [0,1,0,0,0,1|0,0,2]=4 932 B20R3.12812 Nc1cc2ccccc2cc1SCc3ncc[nH]3 62a_100016991755_100009991566 [0,1,0,0,0,1|0,0,2]=4 933 B20R3.12812 Nc1cc2ccccc2cc1SCc3nnn[nH]3 62a_100000765167_100009991566 [0,1,0,0,0,1|2,0,0]=4 934 B20R3.12812 Nc1cc2ccccc2cc1SCc3nnn[nH]3 62a_100009991566_100000765167 [0,1,0,0,0,1|2,0,0]=4 935 B20R3.12812 Nc1nc2ccccc2cc1SCC3=NCCN3 62a_100010135404_100000737910 [0,1,0,0,0,1|1,0,0]=3 936 B20R3.12812 O=c1oc2ccccc2cc1OCC3=NCCN3 7a_100000061252_100000737910 [0,1,0,0,0,1|1,0,0]=3 937 B20R3.12812 O=c1oc2ccccc2cc1SCC3=NCCN3 62a_100000737910_200000187772 [0,1,0,0,0,1|1,0,0]=3 938 B20R3.12812 Oc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100009817189 [0,1,0,0,0,1|0,0,0]=2 939 B20R3.12812 Oc1cc2ccccc2cc1SCc3ncc[nH]3 62a_100016991755_100009817189 [0,1,0,0,0,1|0,0,2]=4 940 B20R3.12812 Oc1cc2ccccc2cc1SCc3nnn[nH]3 62a_100000765167_100009817189 [0,1,0,0,0,1|2,0,0]=4 941 B20R3.12812 Oc1cc2ccccc2nc1SCC3=NCCN3 62a_100000737910_200000100762 [0,1,0,0,0,1|1,0,0]=3 942 B20R3.12812 Oc1cc2cccnc2cc1SCC3=NCCN3 62a_100000737910_200010153759 [0,1,0,0,0,1|1,0,0]=3 943 B20R3.12812 Oc1nc2ccccc2cc1SCC3=NCCN3 62a_100000737910_200009820883 [0,1,0,0,0,1|1,0,0]=3 944 B20R3.16123 O=C(Cc1ccc2ccccc2c1)C3=CCCC3 1458a_100000038896_100011216711 [0,1,0,0,0,1|2,0,0]=4 945 B20R3.86130 Cc1c[nH]c(n1)CNc2ccc3ccccc3c2 207a_100000211940_100000082322 [0,1,0,0,0,1|0,0,2]=4 946 B20R3.86130 Cc1c[nH]c(n1)SCc2ccc3ccccc3c2 62a_100011216711_100161115468 [0,1,0,0,0,1|0,0,2]=4 947 B20R3.86130 Cc1c[nH]c(n1)SCc2ccc3ccccc3c2 62a_100161115468_100011216711 [0,1,0,0,0,1|0,0,2]=4 948 B20R3.86130 O=c1[nH]nc([nH]1)CNc2ccc3ccccc3c2 7a_100000211940_100000754189 [0,1,0,0,0,1|1,0,1]=4 949 B20R3.86130 O=c1[nH]nc([nH]1)COc2ccc3ccccc3c2 7a_100000185828_100000754189 [0,1,0,0,0,1|1,0,1]=4 950 B20R3.92961 Brc1ccc2ccc(cc2c1)NCC3=NCCN3 34a_100010090036_100000737910 [0,1,0,0,0,1|0,0,0]=2 951 B20R3.92961 Brc1ccc2ccc(cc2c1)NCC3=NCCN3 7a_100010090036_100000737910 [0,1,0,0,0,1|0,0,0]=2 952 B20R3.92961 Brc1ccc2ccc(cc2c1)NCc3ncc[nH]3 207a_100010090036_100000743867 [0,1,0,0,0,1|0,0,2]=4 953 B20R3.92961 Brc1ccc2ccc(cc2c1)NCc3ncc[nH]3 34a_100010090036_100016991755 [0,1,0,0,0,1|0,0,2]=4 954 B20R3.92961 Brc1ccc2ccc(cc2c1)NCc3ncc[nH]3 7a_100010090036_100000753453 [0,1,0,0,0,1|0,0,2]=4 955 B20R3.92961 Brc1ccc2ccc(cc2c1)NCc3nnn[nH]3 34a_100010090036_100000765167 [0,1,0,0,0,1|2,0,0]=4 956 B20R3.92961 Brc1ccc2ccc(cc2c1)NCc3nnn[nH]3 7a_100010090036_100000765167 [0,1,0,0,0,1|2,0,0]=4 957 B20R3.92961 Brc1ccc2ccc(cc2c1)OCC3=NCCN3 34a_100009816537_100000737910 [0,1,0,0,0,1|0,0,0]=2 958 B20R3.92961 Brc1ccc2ccc(cc2c1)OCC3=NCCN3 7a_100009816537_100000737910 [0,1,0,0,0,1|0,0,0]=2 959 B20R3.92961 Brc1ccc2ccc(cc2c1)OCc3ncc[nH]3 34a_100009816537_100016991755 [0,1,0,0,0,1|0,0,2]=4 960 B20R3.92961 Brc1ccc2ccc(cc2c1)OCc3ncc[nH]3 7a_100009816537_100000753453 [0,1,0,0,0,1|0,0,2]=4 961 B20R3.92961 Brc1ccc2ccc(cc2c1)OCc3nnn[nH]3 34a_100009816537_100000765167 [0,1,0,0,0,1|2,0,0]=4 962 B20R3.92961 Brc1ccc2ccc(cc2c1)OCc3nnn[nH]3 7a_100009816537_100000765167 [0,1,0,0,0,1|2,0,0]=4 963 B20R3.92961 Brc1ccc2ncc(cc2c1)OCC3=NCCN3 34a_100000703654_100000737910 [0,1,0,0,0,1|1,0,0]=3 964 B20R3.92961 Brc1ccc2ncc(cc2c1)OCC3=NCCN3 7a_100000703654_100000737910 [0,1,0,0,0,1|1,0,0]=3 965 B20R3.92961 Brc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100000737910_100010740133 [0,1,0,0,0,1|1,0,0]=3 966 B20R3.92961 Brc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100010740133_100000737910 [0,1,0,0,0,1|1,0,0]=3 967 B20R3.92961 Brc1cnc2ccc(cc2c1)NCC3=NCCN3 34a_100009888932_100000737910 [0,1,0,0,0,1|1,0,0]=3 968 B20R3.92961 Brc1cnc2ccc(cc2c1)OCC3=NCCN3 34a_100010137430_100000737910 [0,1,0,0,0,1|1,0,0]=3 969 B20R3.92961 Brc1cnc2ccc(cc2c1)OCC3=NCCN3 7a_100010137430_100000737910 [0,1,0,0,0,1|1,0,0]=3 970 B20R3.92961 Brc1cnc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_200010254249 [0,1,0,0,0,1|1,0,0]=3 971 B20R3.92961 Brc1cnc2ccc(cc2c1)SCC3=NCCN3 62a_200010254249_100000737910 [0,1,0,0,0,1|1,0,0]=3 972 B20R3.92961 Cc1ccc2ccc(cc2c1)OCC3=NCCN3 34a_100000091598_100000737910 [0,1,0,0,0,1|0,0,0]=2 973 B20R3.92961 Cc1ccc2ccc(cc2c1)OCC3=NCCN3 7a_100000091598_100000737910 [0,1,0,0,0,1|0,0,0]=2 974 B20R3.92961 Cc1ccc2ccc(cc2c1)OCc3ncc[nH]3 34a_100000091598_100016991755 [0,1,0,0,0,1|0,0,2]=4 975 B20R3.92961 Cc1ccc2ccc(cc2c1)OCc3ncc[nH]3 7a_100000091598_100000753453 [0,1,0,0,0,1|0,0,2]=4 976 B20R3.92961 Cc1ccc2ccc(cc2c1)OCc3nnn[nH]3 34a_100000091598_100000765167 [0,1,0,0,0,1|2,0,0]=4 977 B20R3.92961 Cc1ccc2ccc(cc2c1)OCc3nnn[nH]3 7a_100000091598_100000765167 [0,1,0,0,0,1|2,0,0]=4 978 B20R3.92961 Cc1ccc2ccc(cc2n1)OCC3=NCCN3 34a_100009867695_100000737910 [0,1,0,0,0,1|1,0,0]=3 979 B20R3.92961 Cc1ccc2ccc(cc2n1)OCC3=NCCN3 7a_100009867695_100000737910 [0,1,0,0,0,1|1,0,0]=3 980 B20R3.92961 Cc1ccc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100009817087 [0,1,0,0,0,1|1,0,0]=3 981 B20R3.92961 Cc1ccc2ccc(cc2n1)SCC3=NCCN3 62a_100009817087_100000737910 [0,1,0,0,0,1|1,0,0]=3 982 B20R3.92961 Cc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100000737910_100015841224 [0,1,0,0,0,1|1,0,0]=3 983 B20R3.92961 Cc1cnc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_100009817055 [0,1,0,0,0,1|1,0,0]=3 984 B20R3.92961 Cc1ncc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100010233817 [0,1,0,0,0,1|2,0,0]=4 985 B20R3.92961 Cc1ncc2ccc(cc2n1)SCC3=NCCN3 62a_100010233817_100000737910 [0,1,0,0,0,1|2,0,0]=4 986 B20R3.92961 Clc1ccc2ccc(cc2n1)OCC3=NCCN3 34a_100000079174_100000737910 [0,1,0,0,0,1|1,0,0]=3 987 B20R3.92961 Clc1ccc2ccc(cc2n1)OCC3=NCCN3 7a_100000079174_100000737910 [0,1,0,0,0,1|1,0,0]=3 988 B20R3.92961 Clc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100000737910_100015929906 [0,1,0,0,0,1|1,0,0]=3 989 B20R3.92961 Clc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100015929906_100000737910 [0,1,0,0,0,1|1,0,0]=3 990 B20R3.92961 Clc1cnc2ccc(cc2c1)OCC3=NCCN3 34a_100009869629_100000737910 [0,1,0,0,0,1|1,0,0]=3 991 B20R3.92961 Clc1cnc2ccc(cc2c1)OCC3=NCCN3 7a_100009869629_100000737910 [0,1,0,0,0,1|1,0,0]=3 992 B20R3.92961 Clc1cnc2ccc(cc2n1)OCC3=NCCN3 34a_200020640061_100000737910 [0,1,0,0,0,1|2,0,0]=4 993 B20R3.92961 Fc1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100000737910_100010291885 [0,1,0,0,0,1|1,0,0]=3 994 B20R3.92961 Fc1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100010291885_100000737910 [0,1,0,0,0,1|1,0,0]=3 995 B20R3.92961 Fc1ccc2cnc(cc2c1)OCC3=NCCN3 34a_200000101709_100000737910 [0,1,0,0,0,1|1,0,0]=3 996 B20R3.92961 Fc1ccc2cnc(cc2c1)SCC3=NCCN3 62a_100000737910_100009828686 [0,1,0,0,0,1|1,0,0]=3 997 B20R3.92961 Fc1ccc2cnc(cc2c1)SCC3=NCCN3 62a_100009828686_100000737910 [0,1,0,0,0,1|1,0,0]=3 998 B20R3.92961 Fc1ccc2cnc(nc2c1)SCC3=NCCN3 62a_100000104070_100000737910 [0,1,0,0,0,1|2,0,0]=4 999 B20R3.92961 Fc1ccc2cnc(nc2c1)SCC3=NCCN3 62a_100000737910_100000104070 [0,1,0,0,0,1|2,0,0]=4 1000 B20R3.92961 Fc1cnc2ccc(cc2c1)OCC3=NCCN3 34a_100009845357_100000737910 [0,1,0,0,0,1|1,0,0]=3 1001 B20R3.92961 Fc1cnc2ccc(cc2c1)OCC3=NCCN3 7a_100009845357_100000737910 [0,1,0,0,0,1|1,0,0]=3 1002 B20R3.92961 Fc1cnc2ccc(nc2c1)SCC3=NCCN3 62a_100000737910_100009889179 [0,1,0,0,0,1|2,0,0]=4 1003 B20R3.92961 Fc1cnc2ccc(nc2c1)SCC3=NCCN3 62a_100009889179_100000737910 [0,1,0,0,0,1|2,0,0]=4 1004 B20R3.92961 Nc1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100000737910_100009817123 [0,1,0,0,0,1|1,0,0]=3 1005 B20R3.92961 Nc1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100009817123_100000737910 [0,1,0,0,0,1|1,0,0]=3 1006 B20R3.92961 Nc1ccc2ccc(cc2c1)OCC3=NCCN3 34a_100015378740_100000737910 [0,1,0,0,0,1|0,0,0]=2 1007 B20R3.92961 Nc1ccc2ccc(cc2c1)OCC3=NCCN3 7a_100015378740_100000737910 [0,1,0,0,0,1|0,0,0]=2 1008 B20R3.92961 Nc1ccc2ccc(cc2c1)OCc3ncc[nH]3 34a_100015378740_100016991755 [0,1,0,0,0,1|0,0,2]=4 1009 B20R3.92961 Nc1ccc2ccc(cc2c1)OCc3ncc[nH]3 7a_100015378740_100000753453 [0,1,0,0,0,1|0,0,2]=4 1010 B20R3.92961 Nc1ccc2ccc(cc2c1)OCc3nnn[nH]3 34a_100015378740_100000765167 [0,1,0,0,0,1|2,0,0]=4 1011 B20R3.92961 Nc1ccc2ccc(cc2c1)OCc3nnn[nH]3 7a_100015378740_100000765167 [0,1,0,0,0,1|2,0,0]=4 1012 B20R3.92961 Nc1ccc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_100010090036 [0,1,0,0,0,1|0,0,0]=2 1013 B20R3.92961 Nc1ccc2ccc(cc2c1)SCC3=NCCN3 62a_100010090036_100000737910 [0,1,0,0,0,1|0,0,0]=2 1014 B20R3.92961 Nc1ccc2ccc(cc2c1)SCc3ncc[nH]3 62a_100010090036_100016991755 [0,1,0,0,0,1|0,0,2]=4 1015 B20R3.92961 Nc1ccc2ccc(cc2c1)SCc3ncc[nH]3 62a_100016991755_100010090036 [0,1,0,0,0,1|0,0,2]=4 1016 B20R3.92961 Nc1ccc2ccc(cc2c1)SCc3nnn[nH]3 62a_100000765167_100010090036 [0,1,0,0,0,1|2,0,0]=4 1017 B20R3.92961 Nc1ccc2ccc(cc2c1)SCc3nnn[nH]3 62a_100010090036_100000765167 [0,1,0,0,0,1|2,0,0]=4 1018 B20R3.92961 Nc1ccc2ccc(cc2n1)SCC3=NCCN3 62a_100010187616_100000737910 [0,1,0,0,0,1|1,0,0]=3 1019 B20R3.92961 Nc1ccc2ccc(nc2n1)SCC3=NCCN3 62a_100000117679_100000737910 [0,1,0,0,0,1|2,0,0]=4 1020 B20R3.92961 Nc1ccc2ccc(nc2n1)SCC3=NCCN3 62a_100000737910_100000117679 [0,1,0,0,0,1|2,0,0]=4 1021 B20R3.92961 Nc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100000737910_100009888932 [0,1,0,0,0,1|1,0,0]=3 1022 B20R3.92961 Nc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100009888932_100000737910 [0,1,0,0,0,1|1,0,0]=3 1023 B20R3.92961 Nc1cnc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100010090528 [0,1,0,0,0,1|2,0,0]=4 1024 B20R3.92961 Nc1cnc2ccc(cc2n1)SCC3=NCCN3 62a_100010090528_100000737910 [0,1,0,0,0,1|2,0,0]=4 1025 B20R3.92961 Nc1ncc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100010199760 [0,1,0,0,0,1|2,0,0]=4 1026 B20R3.92961 Nc1ncc2ccc(cc2n1)SCC3=NCCN3 62a_100010199760_100000737910 [0,1,0,0,0,1|2,0,0]=4 1027 B20R3.92961 O=c1ccc2ccc(cc2o1)OCC3=NCCN3 34a_100000185914_100000737910 [0,1,0,0,0,1|1,0,0]=3 1028 B20R3.92961 O=c1ccc2ccc(cc2o1)OCC3=NCCN3 7a_100000185914_100000737910 [0,1,0,0,0,1|1,0,0]=3 1029 B20R3.92961 O=c1ccc2ccc(cc2o1)SCC3=NCCN3 62a_100000737910_100009993525 [0,1,0,0,0,1|1,0,0]=3 1030 B20R3.92961 O=c1ccc2cnc(cc2[nH]1)SCC3=NCCN3 62a_100000737910_100010563892 [0,1,0,0,0,1|2,0,0]=4 1031 B20R3.92961 Oc1cc2cc(ccc2cn1)SCC3=NCCN3 62a_100000737910_100009817130 [0,1,0,0,0,1|1,0,0]=3 1032 B20R3.92961 Oc1ccc2ccc(cc2c1)NCC3=NCCN3 34a_100015378740_100000737910 [0,1,0,0,0,1|0,0,0]=2 1033 B20R3.92961 Oc1ccc2ccc(cc2c1)NCC3=NCCN3 7a_100015378740_100000737910 [0,1,0,0,0,1|0,0,0]=2 1034 B20R3.92961 Oc1ccc2ccc(cc2c1)NCc3ncc[nH]3 34a_100015378740_100016991755 [0,1,0,0,0,1|0,0,2]=4 1035 B20R3.92961 Oc1ccc2ccc(cc2c1)NCc3ncc[nH]3 7a_100015378740_100000753453 [0,1,0,0,0,1|0,0,2]=4 1036 B20R3.92961 Oc1ccc2ccc(cc2c1)NCc3nnn[nH]3 34a_100015378740_100000765167 [0,1,0,0,0,1|2,0,0]=4 1037 B20R3.92961 Oc1ccc2ccc(cc2c1)NCc3nnn[nH]3 7a_100015378740_100000765167 [0,1,0,0,0,1|2,0,0]=4 1038 B20R3.92961 Oc1ccc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_100009816537 [0,1,0,0,0,1|0,0,0]=2 1039 B20R3.92961 Oc1ccc2ccc(cc2c1)SCc3ncc[nH]3 62a_100016991755_100009816537 [0,1,0,0,0,1|0,0,2]=4 1040 B20R3.92961 Oc1ccc2ccc(cc2c1)SCc3nnn[nH]3 62a_100000765167_100009816537 [0,1,0,0,0,1|2,0,0]=4 1041 B20R3.92961 Oc1ccc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100000690401 [0,1,0,0,0,1|1,0,0]=3 1042 B20R3.92961 Oc1ccc2ccc(nc2c1)SCC3=NCCN3 62a_100000737910_100000079174 [0,1,0,0,0,1|1,0,0]=3 1043 B20R3.92961 Oc1ccc2ccc(nc2n1)SCC3=NCCN3 62a_100000737910_200010218124 [0,1,0,0,0,1|2,0,0]=4 1044 B20R3.92961 Oc1ccc2ncc(cc2c1)SCC3=NCCN3 62a_100000737910_100010137430 [0,1,0,0,0,1|1,0,0]=3 1045 B20R3.92961 Oc1ccc2ncc(cc2n1)SCC3=NCCN3 62a_100000737910_100010009477 [0,1,0,0,0,1|2,0,0]=4 1046 B20R3.92961 Oc1ccc2ncc(nc2c1)SCC3=NCCN3 62a_100000737910_200020640061 [0,1,0,0,0,1|2,0,0]=4 1047 B20R3.92961 Oc1cnc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_100000703654 [0,1,0,0,0,1|1,0,0]=3 1048 B20R3.92961 Oc1cnc2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100010000190 [0,1,0,0,0,1|2,0,0]=4 1049 B20R3.92961 [O-][n+]1ccc2ccc(cc2c1)SCC3=NCCN3 62a_100000737910_100009816120 [0,1,0,0,0,1|1,0,0]=3 1050 B20R3.93114 Brc1ccc2cc(ccc2c1)CSc3ncc[nH]3 62a_100012356510_100025796157 [0,1,0,0,0,1|0,0,2]=4 1051 B20R3.93114 Brc1ccc2cc(ccc2c1)CSc3ncc[nH]3 62a_100025796157_100012356510 [0,1,0,0,0,1|0,0,2]=4 1052 B20R3.93114 Brc1ccc2cc(ccc2c1)NCC3=NCCN3 34a_100000185457_100000737910 [0,1,0,0,0,1|0,0,0]=2 1053 B20R3.93114 Brc1ccc2cc(ccc2c1)NCC3=NCCN3 7a_100000185457_100000737910 [0,1,0,0,0,1|0,0,0]=2 1054 B20R3.93114 Brc1ccc2cc(ccc2c1)NCc3ncc[nH]3 207a_100000185457_100000743867 [0,1,0,0,0,1|0,0,2]=4 1055 B20R3.93114 Brc1ccc2cc(ccc2c1)NCc3ncc[nH]3 34a_100000185457_100016991755 [0,1,0,0,0,1|0,0,2]=4 1056 B20R3.93114 Brc1ccc2cc(ccc2c1)NCc3ncc[nH]3 7a_100000185457_100000753453 [0,1,0,0,0,1|0,0,2]=4 1057 B20R3.93114 Brc1ccc2cc(ccc2c1)NCc3nnn[nH]3 34a_100000185457_100000765167 [0,1,0,0,0,1|2,0,0]=4 1058 B20R3.93114 Brc1ccc2cc(ccc2c1)NCc3nnn[nH]3 7a_100000185457_100000765167 [0,1,0,0,0,1|2,0,0]=4 1059 B20R3.93114 Brc1ccc2cc(ccc2c1)OCC3=NCCN3 34a_100000185455_100000737910 [0,1,0,0,0,1|0,0,0]=2 1060 B20R3.93114 Brc1ccc2cc(ccc2c1)OCC3=NCCN3 7a_100000185455_100000737910 [0,1,0,0,0,1|0,0,0]=2 1061 B20R3.93114 Brc1ccc2cc(ccc2c1)OCc3ncc[nH]3 34a_100000185455_100016991755 [0,1,0,0,0,1|0,0,2]=4 1062 B20R3.93114 Brc1ccc2cc(ccc2c1)OCc3ncc[nH]3 7a_100000185455_100000753453 [0,1,0,0,0,1|0,0,2]=4 1063 B20R3.93114 Brc1ccc2cc(ccc2c1)OCc3nnn[nH]3 34a_100000185455_100000765167 [0,1,0,0,0,1|2,0,0]=4 1064 B20R3.93114 Brc1ccc2cc(ccc2c1)OCc3nnn[nH]3 7a_100000185455_100000765167 [0,1,0,0,0,1|2,0,0]=4 1065 B20R3.93114 Brc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100012344972 [0,1,0,0,0,1|0,0,0]=2 1066 B20R3.93114 Brc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100012344972_100000737910 [0,1,0,0,0,1|0,0,0]=2 1067 B20R3.93114 Brc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100012344972_100016991755 [0,1,0,0,0,1|0,0,2]=4 1068 B20R3.93114 Brc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100012344972 [0,1,0,0,0,1|0,0,2]=4 1069 B20R3.93114 Brc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100012344972 [0,1,0,0,0,1|2,0,0]=4 1070 B20R3.93114 Brc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100012344972_100000765167 [0,1,0,0,0,1|2,0,0]=4 1071 B20R3.93114 Brc1cnc2cc(ccc2c1)NCC3=NCCN3 34a_200010264087_100000737910 [0,1,0,0,0,1|1,0,0]=3 1072 B20R3.93114 Brc1cnc2cc(ccc2c1)OCC3=NCCN3 34a_200010153753_100000737910 [0,1,0,0,0,1|1,0,0]=3 1073 B20R3.93114 Brc1cnc2cc(ccc2c1)OCC3=NCCN3 7a_200010153753_100000737910 [0,1,0,0,0,1|1,0,0]=3 1074 B20R3.93114 Brc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_200015509644 [0,1,0,0,0,1|1,0,0]=3 1075 B20R3.93114 Brc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_200015509644_100000737910 [0,1,0,0,0,1|1,0,0]=3 1076 B20R3.93114 C[n+]1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100015191232 [0,1,0,0,0,1|1,0,0]=3 1077 B20R3.93114 Cc1ccc2cc(ccc2c1)OCC3=NCCN3 34a_100000074090_100000737910 [0,1,0,0,0,1|0,0,0]=2 1078 B20R3.93114 Cc1ccc2cc(ccc2c1)OCC3=NCCN3 7a_100000074090_100000737910 [0,1,0,0,0,1|0,0,0]=2 1079 B20R3.93114 Cc1ccc2cc(ccc2c1)OCc3ncc[nH]3 34a_100000074090_100016991755 [0,1,0,0,0,1|0,0,2]=4 1080 B20R3.93114 Cc1ccc2cc(ccc2c1)OCc3ncc[nH]3 7a_100000074090_100000753453 [0,1,0,0,0,1|0,0,2]=4 1081 B20R3.93114 Cc1ccc2cc(ccc2c1)OCc3nnn[nH]3 34a_100000074090_100000765167 [0,1,0,0,0,1|2,0,0]=4 1082 B20R3.93114 Cc1ccc2cc(ccc2c1)OCc3nnn[nH]3 7a_100000074090_100000765167 [0,1,0,0,0,1|2,0,0]=4 1083 B20R3.93114 Cc1ccc2cc(ccc2n1)NCC3=NCCN3 34a_100011216442_100000737910 [0,1,0,0,0,1|1,0,0]=3 1084 B20R3.93114 Cc1ccc2cc(ccc2n1)OCC3=NCCN3 34a_100000037634_100000737910 [0,1,0,0,0,1|1,0,0]=3 1085 B20R3.93114 Cc1ccc2cc(ccc2n1)OCC3=NCCN3 7a_100000037634_100000737910 [0,1,0,0,0,1|1,0,0]=3 1086 B20R3.93114 Cc1ccc2cc(ccc2n1)SCC3=NCCN3 62a_100000686635_100000737910 [0,1,0,0,0,1|1,0,0]=3 1087 B20R3.93114 Cc1ccc2cc(ccc2n1)SCC3=NCCN3 62a_100000737910_100000686635 [0,1,0,0,0,1|1,0,0]=3 1088 B20R3.93114 Cc1ccc2nc(ccc2c1)SCC3=NCCN3 62a_100000737910_100011865911 [0,1,0,0,0,1|1,0,0]=3 1089 B20R3.93114 Cc1ccc2nc(ccc2c1)SCC3=NCCN3 62a_200000181977_100000737910 [0,1,0,0,0,1|1,0,0]=3 1090 B20R3.93114 Cc1ccc2nc(ccc2n1)SCC3=NCCN3 62a_100000737910_200009884078 [0,1,0,0,0,1|2,0,0]=4 1091 B20R3.93114 Cc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100010751441 [0,1,0,0,0,1|1,0,0]=3 1092 B20R3.93114 Clc1ccc2cc(ccc2c1)OCC3=NCCN3 34a_100000074905_100000737910 [0,1,0,0,0,1|0,0,0]=2 1093 B20R3.93114 Clc1ccc2cc(ccc2c1)OCC3=NCCN3 7a_100000074905_100000737910 [0,1,0,0,0,1|0,0,0]=2 1094 B20R3.93114 Clc1ccc2cc(ccc2c1)OCc3ncc[nH]3 34a_100000074905_100016991755 [0,1,0,0,0,1|0,0,2]=4 1095 B20R3.93114 Clc1ccc2cc(ccc2c1)OCc3ncc[nH]3 7a_100000074905_100000753453 [0,1,0,0,0,1|0,0,2]=4 1096 B20R3.93114 Clc1ccc2cc(ccc2c1)OCc3nnn[nH]3 34a_100000074905_100000765167 [0,1,0,0,0,1|2,0,0]=4 1097 B20R3.93114 Clc1ccc2cc(ccc2c1)OCc3nnn[nH]3 7a_100000074905_100000765167 [0,1,0,0,0,1|2,0,0]=4 1098 B20R3.93114 Clc1ccc2cc(ccc2n1)OCC3=NCCN3 34a_100009849208_100000737910 [0,1,0,0,0,1|1,0,0]=3 1099 B20R3.93114 Clc1ccc2cc(ccc2n1)OCC3=NCCN3 7a_100009849208_100000737910 [0,1,0,0,0,1|1,0,0]=3 1100 B20R3.93114 Clc1ccc2cc(ccc2n1)SCC3=NCCN3 62a_100000737910_200012034268 [0,1,0,0,0,1|1,0,0]=3 1101 B20R3.93114 Clc1ccc2cc(cnc2c1)SCC3=NCCN3 62a_100000737910_100015716233 [0,1,0,0,0,1|1,0,0]=3 1102 B20R3.93114 Clc1ccc2cc(cnc2c1)SCC3=NCCN3 62a_100015716233_100000737910 [0,1,0,0,0,1|1,0,0]=3 1103 B20R3.93114 Clc1cnc2cc(ccc2n1)NCC3=NCCN3 34a_100009885871_100000737910 [0,1,0,0,0,1|2,0,0]=4 1104 B20R3.93114 Clc1cnc2cc(ccc2n1)OCC3=NCCN3 34a_200010664160_100000737910 [0,1,0,0,0,1|2,0,0]=4 1105 B20R3.93114 Fc1ccc2cc(ccc2c1)OCC3=NCCN3 34a_100009847029_100000737910 [0,1,0,0,0,1|0,0,0]=2 1106 B20R3.93114 Fc1ccc2cc(ccc2c1)OCC3=NCCN3 7a_100009847029_100000737910 [0,1,0,0,0,1|0,0,0]=2 1107 B20R3.93114 Fc1ccc2cc(ccc2c1)OCc3ncc[nH]3 34a_100009847029_100016991755 [0,1,0,0,0,1|0,0,2]=4 1108 B20R3.93114 Fc1ccc2cc(ccc2c1)OCc3ncc[nH]3 7a_100009847029_100000753453 [0,1,0,0,0,1|0,0,2]=4 1109 B20R3.93114 Fc1ccc2cc(ccc2c1)OCc3nnn[nH]3 34a_100009847029_100000765167 [0,1,0,0,0,1|2,0,0]=4 1110 B20R3.93114 Fc1ccc2cc(ccc2c1)OCc3nnn[nH]3 7a_100009847029_100000765167 [0,1,0,0,0,1|2,0,0]=4 1111 B20R3.93114 Fc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100009817052 [0,1,0,0,0,1|0,0,0]=2 1112 B20R3.93114 Fc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100009817052_100000737910 [0,1,0,0,0,1|0,0,0]=2 1113 B20R3.93114 Fc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100009817052_100016991755 [0,1,0,0,0,1|0,0,2]=4 1114 B20R3.93114 Fc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100009817052 [0,1,0,0,0,1|0,0,2]=4 1115 B20R3.93114 Fc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100009817052 [0,1,0,0,0,1|2,0,0]=4 1116 B20R3.93114 Fc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100009817052_100000765167 [0,1,0,0,0,1|2,0,0]=4 1117 B20R3.93114 Fc1ccc2cc(cnc2c1)OCC3=NCCN3 34a_100012184162_100000737910 [0,1,0,0,0,1|1,0,0]=3 1118 B20R3.93114 Fc1ccc2cc(cnc2c1)OCC3=NCCN3 7a_100012184162_100000737910 [0,1,0,0,0,1|1,0,0]=3 1119 B20R3.93114 Fc1ccc2nc(ccc2c1)SCC3=NCCN3 62a_100000737910_100011998705 [0,1,0,0,0,1|1,0,0]=3 1120 B20R3.93114 Fc1ccc2nc(ccc2c1)SCC3=NCCN3 62a_200012355665_100000737910 [0,1,0,0,0,1|1,0,0]=3 1121 B20R3.93114 Fc1ccc2nc(cnc2c1)SCC3=NCCN3 62a_100000098432_100000737910 [0,1,0,0,0,1|2,0,0]=4 1122 B20R3.93114 Fc1ccc2nc(cnc2c1)SCC3=NCCN3 62a_100000737910_100000098432 [0,1,0,0,0,1|2,0,0]=4 1123 B20R3.93114 Fc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100010751466 [0,1,0,0,0,1|1,0,0]=3 1124 B20R3.93114 Fc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100010751466_100000737910 [0,1,0,0,0,1|1,0,0]=3 1125 B20R3.93114 Nc1cc2ccc(cc2cn1)SCC3=NCCN3 62a_100000737910_100010232990 [0,1,0,0,0,1|1,0,0]=3 1126 B20R3.93114 Nc1cc2ccc(cc2cn1)SCC3=NCCN3 62a_100010232990_100000737910 [0,1,0,0,0,1|1,0,0]=3 1127 B20R3.93114 Nc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000185457_100000737910 [0,1,0,0,0,1|0,0,0]=2 1128 B20R3.93114 Nc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100000185457 [0,1,0,0,0,1|0,0,0]=2 1129 B20R3.93114 Nc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100000185457_100016991755 [0,1,0,0,0,1|0,0,2]=4 1130 B20R3.93114 Nc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100000185457 [0,1,0,0,0,1|0,0,2]=4 1131 B20R3.93114 Nc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000185457_100000765167 [0,1,0,0,0,1|2,0,0]=4 1132 B20R3.93114 Nc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100000185457 [0,1,0,0,0,1|2,0,0]=4 1133 B20R3.93114 Nc1ccc2cc(ccc2n1)SCC3=NCCN3 62a_100011934619_100000737910 [0,1,0,0,0,1|1,0,0]=3 1134 B20R3.93114 Nc1ccc2cc(cnc2c1)SCC3=NCCN3 62a_100000737910_200010264087 [0,1,0,0,0,1|1,0,0]=3 1135 B20R3.93114 Nc1ccc2cc(cnc2c1)SCC3=NCCN3 62a_200010264087_100000737910 [0,1,0,0,0,1|1,0,0]=3 1136 B20R3.93114 Nc1ccc2cc(cnc2n1)SCC3=NCCN3 62a_100000737910_100010214896 [0,1,0,0,0,1|2,0,0]=4 1137 B20R3.93114 Nc1ccc2cc(cnc2n1)SCC3=NCCN3 62a_100010214896_100000737910 [0,1,0,0,0,1|2,0,0]=4 1138 B20R3.93114 Nc1ccc2nc(cnc2c1)SCC3=NCCN3 62a_100000737910_100009885871 [0,1,0,0,0,1|2,0,0]=4 1139 B20R3.93114 Nc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100010142226 [0,1,0,0,0,1|1,0,0]=3 1140 B20R3.93114 Nc1cnc2cc(ccc2c1)SCC3=NCCN3 62a_100010142226_100000737910 [0,1,0,0,0,1|1,0,0]=3 1141 B20R3.93114 Nc1ncc2cc(ccc2n1)SCC3=NCCN3 62a_100000737910_100010138702 [0,1,0,0,0,1|2,0,0]=4 1142 B20R3.93114 Nc1ncc2cc(ccc2n1)SCC3=NCCN3 62a_100010138702_100000737910 [0,1,0,0,0,1|2,0,0]=4 1143 B20R3.93114 O=c1ccc2cc(ccc2[nH]1)SCC3=NCCN3 62a_100000737910_100011934725 [0,1,0,0,0,1|1,0,0]=3 1144 B20R3.93114 O=c1ccc2cc(ccc2o1)NCC3=NCCN3 7a_100000008519_100000737910 [0,1,0,0,0,1|1,0,0]=3 1145 B20R3.93114 O=c1ccc2cc(ccc2o1)OCC3=NCCN3 34a_100000066265_100000737910 [0,1,0,0,0,1|1,0,0]=3 1146 B20R3.93114 O=c1ccc2cc(ccc2o1)OCC3=NCCN3 7a_100000066265_100000737910 [0,1,0,0,0,1|1,0,0]=3 1147 B20R3.93114 O=c1ccc2cc(ccc2o1)SCC3=NCCN3 62a_100000737910_100009999946 [0,1,0,0,0,1|1,0,0]=3 1148 B20R3.93114 O=c1cnc2cc(ccc2[nH]1)SCC3=NCCN3 62a_100000737910_100010209493 [0,1,0,0,0,1|2,0,0]=4 1149 B20R3.93114 Oc1ccc2cc(ccc2c1)SCC3=NCCN3 62a_100000737910_100000185455 [0,1,0,0,0,1|0,0,0]=2 1150 B20R3.93114 Oc1ccc2cc(ccc2c1)SCc3ncc[nH]3 62a_100016991755_100000185455 [0,1,0,0,0,1|0,0,2]=4 1151 B20R3.93114 Oc1ccc2cc(ccc2c1)SCc3nnn[nH]3 62a_100000765167_100000185455 [0,1,0,0,0,1|2,0,0]=4 1152 B20R3.93114 Oc1ccc2cc(cnc2c1)SCC3=NCCN3 62a_100000737910_200010153753 [0,1,0,0,0,1|1,0,0]=3 1153 B20R3.93114 Oc1ccc2cc(cnc2n1)SCC3=NCCN3 62a_100000737910_100009814606 [0,1,0,0,0,1|2,0,0]=4 1154 B20R3.93114 Oc1ccc2nc(ccc2c1)SCC3=NCCN3 62a_100000737910_100009849208 [0,1,0,0,0,1|1,0,0]=3 1155 B20R3.93114 Oc1ccc2nc(cnc2c1)SCC3=NCCN3 62a_100000737910_200010664160 [0,1,0,0,0,1|2,0,0]=4 1156 B20R3.129490 Cn1ccnc1CNc2ccc3ccccc3c2 207a_100000211940_100000748660 [0,1,0,0,0,1|0,0,2]=4 1157 B20R3.129490 Cn1ccnc1CNc2ccc3ccccc3c2 34a_100000211940_100000700302 [0,1,0,0,0,1|0,0,2]=4 1158 B20R3.129490 Cn1ccnc1CNc2ccc3ccccc3c2 7a_100000211940_100000700302 [0,1,0,0,0,1|0,0,2]=4 1159 B20R3.129490 Cn1ccnc1COc2ccc3ccccc3c2 34a_100000185828_100000700302 [0,1,0,0,0,1|0,0,2]=4 1160 B20R3.129490 Cn1ccnc1COc2ccc3ccccc3c2 7a_100000185828_100000700302 [0,1,0,0,0,1|0,0,2]=4 1161 B20R3.129490 Cn1ccnc1CSc2ccc3ccccc3c2 62a_100000700302_100000233703 [0,1,0,0,0,1|0,0,2]=4 1162 B20R3.129490 Cn1ccnc1SCc2ccc3ccccc3c2 62a_100000707724_100011216711 [0,1,0,0,0,1|0,0,2]=4 1163 B20R3.129490 Cn1ccnc1SCc2ccc3ccccc3c2 62a_100011216711_100000707724 [0,1,0,0,0,1|0,0,2]=4 1164 B20R3.129490 Cn1ncnc1NCc2ccc3ccccc3c2 27a_100000739491_100000732653 [0,1,0,0,0,1|1,0,1]=4 1165 B20R3.129490 Cn1ncnc1SCc2ccc3ccccc3c2 62a_100000732653_100011216711 [0,1,0,0,0,1|1,0,1]=4 1166 B20R3.129490 Cn1ncnc1SCc2ccc3ccccc3c2 62a_100011216711_100000732653 [0,1,0,0,0,1|1,0,1]=4 1167 B20R3.250890 Brc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100000737910_100010204298 [0,1,0,0,0,1|1,0,0]=3 1168 B20R3.250890 Brc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100010204298_100000737910 [0,1,0,0,0,1|1,0,0]=3 1169 B20R3.250890 Brc1ccnc2c1ccc(c2)OCC3=NCCN3 34a_100010204257_100000737910 [0,1,0,0,0,1|1,0,0]=3 1170 B20R3.250890 Brc1ccnc2c1ccc(c2)OCC3=NCCN3 7a_100010204257_100000737910 [0,1,0,0,0,1|1,0,0]=3 1171 B20R3.250890 Cc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100000737910_100009829671 [0,1,0,0,0,1|1,0,0]=3 1172 B20R3.250890 Cc1ccnc2c1ccc(c2)OCC3=NCCN3 34a_200009854145_100000737910 [0,1,0,0,0,1|1,0,0]=3 1173 B20R3.250890 Cc1ccnc2c1ccc(c2)OCC3=NCCN3 7a_200009854145_100000737910 [0,1,0,0,0,1|1,0,0]=3 1174 B20R3.250890 Cc1ccnc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100010132309 [0,1,0,0,0,1|1,0,0]=3 1175 B20R3.250890 Cc1ccnc2c1ccc(c2)SCC3=NCCN3 62a_100010132309_100000737910 [0,1,0,0,0,1|1,0,0]=3 1176 B20R3.250890 Clc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100000737910_100000759377 [0,1,0,0,0,1|1,0,0]=3 1177 B20R3.250890 Clc1ccnc2c1ccc(c2)OCC3=NCCN3 34a_100000045489_100000737910 [0,1,0,0,0,1|1,0,0]=3 1178 B20R3.250890 Clc1ccnc2c1ccc(c2)OCC3=NCCN3 7a_100000045489_100000737910 [0,1,0,0,0,1|1,0,0]=3 1179 B20R3.250890 Clc1ccnc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100009996786 [0,1,0,0,0,1|1,0,0]=3 1180 B20R3.250890 Clc1ccnc2c1ccc(c2)SCC3=NCCN3 62a_100009996786_100000737910 [0,1,0,0,0,1|1,0,0]=3 1181 B20R3.250890 Clc1nccc2c1ccc(c2)OCC3=NCCN3 34a_100009867704_100000737910 [0,1,0,0,0,1|1,0,0]=3 1182 B20R3.250890 Clc1nccc2c1ccc(c2)OCC3=NCCN3 7a_100009867704_100000737910 [0,1,0,0,0,1|1,0,0]=3 1183 B20R3.250890 Fc1cccc2c1ncc(c2)OCC3=NCCN3 34a_100012184956_100000737910 [0,1,0,0,0,1|1,0,0]=3 1184 B20R3.250890 Fc1cccc2c1ncc(c2)OCC3=NCCN3 7a_100012184956_100000737910 [0,1,0,0,0,1|1,0,0]=3 1185 B20R3.250890 Fc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100000049890_100000737910 [0,1,0,0,0,1|1,0,0]=3 1186 B20R3.250890 Fc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100000737910_100000049890 [0,1,0,0,0,1|1,0,0]=3 1187 B20R3.250890 Nc1cccc2c1ccc(c2)OCC3=NCCN3 34a_100000034668_100000737910 [0,1,0,0,0,1|0,0,0]=2 1188 B20R3.250890 Nc1cccc2c1ccc(c2)OCC3=NCCN3 7a_100000034668_100000737910 [0,1,0,0,0,1|0,0,0]=2 1189 B20R3.250890 Nc1cccc2c1ccc(c2)OCc3ncc[nH]3 34a_100000034668_100016991755 [0,1,0,0,0,1|0,0,2]=4 1190 B20R3.250890 Nc1cccc2c1ccc(c2)OCc3ncc[nH]3 7a_100000034668_100000753453 [0,1,0,0,0,1|0,0,2]=4 1191 B20R3.250890 Nc1cccc2c1ccc(c2)OCc3nnn[nH]3 34a_100000034668_100000765167 [0,1,0,0,0,1|2,0,0]=4 1192 B20R3.250890 Nc1cccc2c1ccc(c2)OCc3nnn[nH]3 7a_100000034668_100000765167 [0,1,0,0,0,1|2,0,0]=4 1193 B20R3.250890 Nc1cccc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100010090037 [0,1,0,0,0,1|0,0,0]=2 1194 B20R3.250890 Nc1cccc2c1ccc(c2)SCC3=NCCN3 62a_100010090037_100000737910 [0,1,0,0,0,1|0,0,0]=2 1195 B20R3.250890 Nc1cccc2c1ccc(c2)SCc3ncc[nH]3 62a_100010090037_100016991755 [0,1,0,0,0,1|0,0,2]=4 1196 B20R3.250890 Nc1cccc2c1ccc(c2)SCc3ncc[nH]3 62a_100016991755_100010090037 [0,1,0,0,0,1|0,0,2]=4 1197 B20R3.250890 Nc1cccc2c1ccc(c2)SCc3nnn[nH]3 62a_100000765167_100010090037 [0,1,0,0,0,1|2,0,0]=4 1198 B20R3.250890 Nc1cccc2c1ccc(c2)SCc3nnn[nH]3 62a_100010090037_100000765167 [0,1,0,0,0,1|2,0,0]=4 1199 B20R3.250890 Nc1cccc2c1ncc(c2)SCC3=NCCN3 62a_100000737910_100000702407 [0,1,0,0,0,1|1,0,0]=3 1200 B20R3.250890 Nc1ccnc2c1ccc(c2)SCC3=NCCN3 62a_200009816820_100000737910 [0,1,0,0,0,1|1,0,0]=3 1201 B20R3.250890 Nc1nccc2c1ccc(c2)SCC3=NCCN3 62a_100000732483_100000737910 [0,1,0,0,0,1|1,0,0]=3 1202 B20R3.250890 Nc1nccc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100000732483 [0,1,0,0,0,1|1,0,0]=3 1203 B20R3.250890 Nc1ncnc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100010199758 [0,1,0,0,0,1|2,0,0]=4 1204 B20R3.250890 Nc1ncnc2c1ccc(c2)SCC3=NCCN3 62a_100010199758_100000737910 [0,1,0,0,0,1|2,0,0]=4 1205 B20R3.250890 O=c1[nH]ccc2c1ccc(c2)OCC3=NCCN3 34a_100009857879_100000737910 [0,1,0,0,0,1|1,0,0]=3 1206 B20R3.250890 O=c1[nH]ccc2c1ccc(c2)OCC3=NCCN3 7a_100009857879_100000737910 [0,1,0,0,0,1|1,0,0]=3 1207 B20R3.250890 O=c1[nH]ccc2c1cnc(c2)SCC3=NCCN3 62a_100010134373_100000737910 [0,1,0,0,0,1|2,0,0]=4 1208 B20R3.250890 O=c1[nH]cnc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100000230960 [0,1,0,0,0,1|2,0,0]=4 1209 B20R3.250890 O=c1cc[nH]c2c1cnc(c2)SCC3=NCCN3 62a_100000737910_100000101246 [0,1,0,0,0,1|2,0,0]=4 1210 B20R3.250890 O=c1ccoc2c1ccc(c2)OCC3=NCCN3 34a_200000065989_100000737910 [0,1,0,0,0,1|1,0,0]=3 1211 B20R3.250890 O=c1ccoc2c1ccc(c2)OCC3=NCCN3 7a_200000065989_100000737910 [0,1,0,0,0,1|1,0,0]=3 1212 B20R3.250890 O=c1ccoc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100010062221 [0,1,0,0,0,1|1,0,0]=3 1213 B20R3.250890 Oc1cccc2c1ccc(c2)NCC3=NCCN3 34a_100000035793_100000737910 [0,1,0,0,0,1|0,0,0]=2 1214 B20R3.250890 Oc1cccc2c1ccc(c2)NCC3=NCCN3 7a_100000035793_100000737910 [0,1,0,0,0,1|0,0,0]=2 1215 B20R3.250890 Oc1cccc2c1ccc(c2)NCc3ncc[nH]3 34a_100000035793_100016991755 [0,1,0,0,0,1|0,0,2]=4 1216 B20R3.250890 Oc1cccc2c1ccc(c2)NCc3ncc[nH]3 7a_100000035793_100000753453 [0,1,0,0,0,1|0,0,2]=4 1217 B20R3.250890 Oc1cccc2c1ccc(c2)NCc3nnn[nH]3 34a_100000035793_100000765167 [0,1,0,0,0,1|2,0,0]=4 1218 B20R3.250890 Oc1cccc2c1ccc(c2)NCc3nnn[nH]3 7a_100000035793_100000765167 [0,1,0,0,0,1|2,0,0]=4 1219 B20R3.250890 Oc1cccc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100010202202 [0,1,0,0,0,1|0,0,0]=2 1220 B20R3.250890 Oc1cccc2c1ccc(c2)SCc3ncc[nH]3 62a_100016991755_100010202202 [0,1,0,0,0,1|0,0,2]=4 1221 B20R3.250890 Oc1cccc2c1ccc(c2)SCc3nnn[nH]3 62a_100000765167_100010202202 [0,1,0,0,0,1|2,0,0]=4 1222 B20R3.250890 Oc1ccnc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100000756855 [0,1,0,0,0,1|1,0,0]=3 1223 B20R3.250890 Oc1nccc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100000760485 [0,1,0,0,0,1|1,0,0]=3 1224 B20R3.250890 Oc1nccc2c1cnc(c2)SCC3=NCCN3 62a_100000737910_100020669822 [0,1,0,0,0,1|2,0,0]=4 1225 B20R3.250890 Oc1nccc2c1ncc(c2)SCC3=NCCN3 62a_100000737910_100010117065 [0,1,0,0,0,1|2,0,0]=4 1226 B20R3.250890 Oc1nncc2c1ccc(c2)SCC3=NCCN3 62a_100000737910_100000724280 [0,1,0,0,0,1|2,0,0]=4 1227 B20R3.281927 Brc1cc(cc2c1cccc2)NCC3=NCCN3 34a_100010089974_100000737910 [0,1,0,0,0,1|0,0,0]=2 1228 B20R3.281927 Brc1cc(cc2c1cccc2)NCC3=NCCN3 7a_100010089974_100000737910 [0,1,0,0,0,1|0,0,0]=2 1229 B20R3.281927 Brc1cc(cc2c1cccc2)NCc3ncc[nH]3 207a_100010089974_100000743867 [0,1,0,0,0,1|0,0,2]=4 1230 B20R3.281927 Brc1cc(cc2c1cccc2)NCc3ncc[nH]3 34a_100010089974_100016991755 [0,1,0,0,0,1|0,0,2]=4 1231 B20R3.281927 Brc1cc(cc2c1cccc2)NCc3ncc[nH]3 7a_100010089974_100000753453 [0,1,0,0,0,1|0,0,2]=4 1232 B20R3.281927 Brc1cc(cc2c1cccc2)NCc3nnn[nH]3 34a_100010089974_100000765167 [0,1,0,0,0,1|2,0,0]=4 1233 B20R3.281927 Brc1cc(cc2c1cccc2)NCc3nnn[nH]3 7a_100010089974_100000765167 [0,1,0,0,0,1|2,0,0]=4 1234 B20R3.281927 Brc1cc(cc2c1cccc2)OCC3=NCCN3 34a_100010001680_100000737910 [0,1,0,0,0,1|0,0,0]=2 1235 B20R3.281927 Brc1cc(cc2c1cccc2)OCC3=NCCN3 7a_100010001680_100000737910 [0,1,0,0,0,1|0,0,0]=2 1236 B20R3.281927 Brc1cc(cc2c1cccc2)OCc3ncc[nH]3 34a_100010001680_100016991755 [0,1,0,0,0,1|0,0,2]=4 1237 B20R3.281927 Brc1cc(cc2c1cccc2)OCc3ncc[nH]3 7a_100010001680_100000753453 [0,1,0,0,0,1|0,0,2]=4 1238 B20R3.281927 Brc1cc(cc2c1cccc2)OCc3nnn[nH]3 34a_100010001680_100000765167 [0,1,0,0,0,1|2,0,0]=4 1239 B20R3.281927 Brc1cc(cc2c1cccc2)OCc3nnn[nH]3 7a_100010001680_100000765167 [0,1,0,0,0,1|2,0,0]=4 1240 B20R3.281927 Brc1cc(cc2c1cncc2)OCC3=NCCN3 34a_100011009069_100000737910 [0,1,0,0,0,1|1,0,0]=3 1241 B20R3.281927 Brc1cc(cc2c1cncc2)OCC3=NCCN3 7a_100011009069_100000737910 [0,1,0,0,0,1|1,0,0]=3 1242 B20R3.281927 Cc1cc(cc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010130319 [0,1,0,0,0,1|1,0,0]=3 1243 B20R3.281927 Cc1cc(cc2c1nccn2)SCC3=NCCN3 62a_100000737910_100010080486 [0,1,0,0,0,1|2,0,0]=4 1244 B20R3.281927 Cc1cc(nc2c1cccc2)SCC3=NCCN3 62a_100000737910_100000184993 [0,1,0,0,0,1|1,0,0]=3 1245 B20R3.281927 Cc1cc(nc2c1cccc2)SCC3=NCCN3 62a_100012354972_100000737910 [0,1,0,0,0,1|1,0,0]=3 1246 B20R3.281927 Cc1nc(nc2c1cccc2)SCC3=NCCN3 62a_100000046098_100000737910 [0,1,0,0,0,1|2,0,0]=4 1247 B20R3.281927 Cc1nc(nc2c1cccc2)SCC3=NCCN3 62a_100000737910_100000046098 [0,1,0,0,0,1|2,0,0]=4 1248 B20R3.281927 Clc1cc(cc2c1nccc2)NCC3=NCCN3 34a_200009830422_100000737910 [0,1,0,0,0,1|1,0,0]=3 1249 B20R3.281927 Clc1cc(cc2c1nccc2)OCC3=NCCN3 34a_100000097192_100000737910 [0,1,0,0,0,1|1,0,0]=3 1250 B20R3.281927 Clc1cc(cc2c1nccc2)OCC3=NCCN3 7a_100000097192_100000737910 [0,1,0,0,0,1|1,0,0]=3 1251 B20R3.281927 Clc1cc(cc2c1nccc2)SCC3=NCCN3 62a_100000737910_200010369337 [0,1,0,0,0,1|1,0,0]=3 1252 B20R3.281927 Fc1cc(cc2c1cncc2)SCC3=NCCN3 62a_100000737910_100011068762 [0,1,0,0,0,1|1,0,0]=3 1253 B20R3.281927 Fc1cc(cc2c1cncc2)SCC3=NCCN3 62a_100011068762_100000737910 [0,1,0,0,0,1|1,0,0]=3 1254 B20R3.281927 Fc1cc(cc2c1nccc2)OCC3=NCCN3 34a_100009888031_100000737910 [0,1,0,0,0,1|1,0,0]=3 1255 B20R3.281927 Fc1cc(cc2c1nccc2)OCC3=NCCN3 7a_100009888031_100000737910 [0,1,0,0,0,1|1,0,0]=3 1256 B20R3.281927 Fc1cc(cc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010234705 [0,1,0,0,0,1|1,0,0]=3 1257 B20R3.281927 Fc1cc(cc2c1nccc2)SCC3=NCCN3 62a_100010234705_100000737910 [0,1,0,0,0,1|1,0,0]=3 1258 B20R3.281927 Fc1cc(cc2c1nccn2)SCC3=NCCN3 62a_100000737910_100010079260 [0,1,0,0,0,1|2,0,0]=4 1259 B20R3.281927 Fc1cc(cc2c1nccn2)SCC3=NCCN3 62a_100010079260_100000737910 [0,1,0,0,0,1|2,0,0]=4 1260 B20R3.281927 Nc1cc(cc2c1cccc2)SCC3=NCCN3 62a_100000737910_100010171453 [0,1,0,0,0,1|0,0,0]=2 1261 B20R3.281927 Nc1cc(cc2c1cccc2)SCC3=NCCN3 62a_100010171453_100000737910 [0,1,0,0,0,1|0,0,0]=2 1262 B20R3.281927 Nc1cc(cc2c1cccc2)SCc3ncc[nH]3 62a_100010171453_100016991755 [0,1,0,0,0,1|0,0,2]=4 1263 B20R3.281927 Nc1cc(cc2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100010171453 [0,1,0,0,0,1|0,0,2]=4 1264 B20R3.281927 Nc1cc(cc2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100010171453 [0,1,0,0,0,1|2,0,0]=4 1265 B20R3.281927 Nc1cc(cc2c1cccc2)SCc3nnn[nH]3 62a_100010171453_100000765167 [0,1,0,0,0,1|2,0,0]=4 1266 B20R3.281927 Nc1cc(cc2c1cccn2)SCC3=NCCN3 62a_100000737910_200010263263 [0,1,0,0,0,1|1,0,0]=3 1267 B20R3.281927 Nc1cc(cc2c1cccn2)SCC3=NCCN3 62a_200010263263_100000737910 [0,1,0,0,0,1|1,0,0]=3 1268 B20R3.281927 Nc1cc(cc2c1nccc2)OCC3=NCCN3 34a_100000083691_100000737910 [0,1,0,0,0,1|1,0,0]=3 1269 B20R3.281927 Nc1cc(cc2c1nccc2)SCC3=NCCN3 62a_100000737910_100009814519 [0,1,0,0,0,1|1,0,0]=3 1270 B20R3.281927 Nc1cc(nc2c1cccc2)SCC3=NCCN3 62a_100010197925_100000737910 [0,1,0,0,0,1|1,0,0]=3 1271 B20R3.281927 Nc1nc(cc2c1cccc2)SCC3=NCCN3 62a_100000737910_100009957331 [0,1,0,0,0,1|1,0,0]=3 1272 B20R3.281927 Nc1nc(cc2c1cccc2)SCC3=NCCN3 62a_100009957331_100000737910 [0,1,0,0,0,1|1,0,0]=3 1273 B20R3.281927 Nc1nc(nc2c1cccc2)SCC3=NCCN3 62a_100000690328_100000737910 [0,1,0,0,0,1|2,0,0]=4 1274 B20R3.281927 O=c1[nH]c(cc2c1cccc2)SCC3=NCCN3 62a_100000737910_200015811170 [0,1,0,0,0,1|1,0,0]=3 1275 B20R3.281927 O=c1cc([nH]c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000090176 [0,1,0,0,0,1|1,0,0]=3 1276 B20R3.281927 O=c1cc(nc2n1cccc2)OCC3=NCCN3 34a_100000751361_100000737910 [0,1,0,0,0,1|2,0,0]=4 1277 B20R3.281927 O=c1cc(nc2n1cccc2)SCC3=NCCN3 62a_100000737910_100000707704 [0,1,0,0,0,1|2,0,0]=4 1278 B20R3.281927 Oc1cc(cc2c1cccc2)SCC3=NCCN3 62a_100000737910_100010089979 [0,1,0,0,0,1|0,0,0]=2 1279 B20R3.281927 Oc1cc(cc2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100010089979 [0,1,0,0,0,1|0,0,2]=4 1280 B20R3.281927 Oc1cc(cc2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100010089979 [0,1,0,0,0,1|2,0,0]=4 1281 B20R3.281927 Oc1cc(cc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010248853 [0,1,0,0,0,1|1,0,0]=3 1282 B20R3.281927 Oc1nc(nc2c1cccc2)SCC3=NCCN3 62a_100000737910_100000187174 [0,1,0,0,0,1|2,0,0]=4 1283 B20R3.331512 CN(CC1=NCCN1)c2ccc3ccccc3c2 269982a_100000181211_100000737910 [0,1,0,0,0,1|0,0,0]=2 1284 B20R3.331512 CN(CC1=NCCN1)c2ccc3ccccc3c2 34a_100000181211_100000737910 [0,1,0,0,0,1|0,0,0]=2 1285 B20R3.331512 CN(Cc1ncc[nH]1)c2ccc3ccccc3c2 2230a_100000181211_100016991755 [0,1,0,0,0,1|0,0,2]=4 1286 B20R3.331512 CN(Cc1ncc[nH]1)c2ccc3ccccc3c2 269982a_100000181211_100016991755 [0,1,0,0,0,1|0,0,2]=4 1287 B20R3.331512 CN(Cc1ncc[nH]1)c2ccc3ccccc3c2 34a_100000181211_100016991755 [0,1,0,0,0,1|0,0,2]=4 1288 B20R3.331512 CN(Cc1nnn[nH]1)c2ccc3ccccc3c2 269982a_100000181211_100000765167 [0,1,0,0,0,1|2,0,0]=4 1289 B20R3.331512 CN(Cc1nnn[nH]1)c2ccc3ccccc3c2 34a_100000181211_100000765167 [0,1,0,0,0,1|2,0,0]=4 1290 B20R3.331512 O=C(Cc1nnn[nH]1)c2ccc3ccccc3c2 1458a_100000210637_100000765167 [0,1,0,0,0,1|2,0,0]=4 1291 B20R3.2857533 Brc1c(ccc2c1cccc2)CSc3ncc[nH]3 62a_100009813938_100025796157 [0,1,0,0,0,1|0,0,2]=4 1292 B20R3.2857533 Brc1c(ccc2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100009813938 [0,1,0,0,0,1|0,0,2]=4 1293 B20R3.2857533 Brc1c(ccc2c1cccc2)NCC3=NCCN3 34a_100000705303_100000737910 [0,1,0,0,0,1|0,0,0]=2 1294 B20R3.2857533 Brc1c(ccc2c1cccc2)NCc3ncc[nH]3 34a_100000705303_100016991755 [0,1,0,0,0,1|0,0,2]=4 1295 B20R3.2857533 Brc1c(ccc2c1cccc2)NCc3nnn[nH]3 34a_100000705303_100000765167 [0,1,0,0,0,1|2,0,0]=4 1296 B20R3.2857533 Brc1c(ccc2c1cccc2)OCC3=NCCN3 34a_100000183829_100000737910 [0,1,0,0,0,1|0,0,0]=2 1297 B20R3.2857533 Brc1c(ccc2c1cccc2)OCC3=NCCN3 7a_100000183829_100000737910 [0,1,0,0,0,1|0,0,0]=2 1298 B20R3.2857533 Brc1c(ccc2c1cccc2)OCc3ncc[nH]3 34a_100000183829_100016991755 [0,1,0,0,0,1|0,0,2]=4 1299 B20R3.2857533 Brc1c(ccc2c1cccc2)OCc3ncc[nH]3 7a_100000183829_100000753453 [0,1,0,0,0,1|0,0,2]=4 1300 B20R3.2857533 Brc1c(ccc2c1cccc2)OCc3nnn[nH]3 34a_100000183829_100000765167 [0,1,0,0,0,1|2,0,0]=4 1301 B20R3.2857533 Brc1c(ccc2c1cccc2)OCc3nnn[nH]3 7a_100000183829_100000765167 [0,1,0,0,0,1|2,0,0]=4 1302 B20R3.2857533 Brc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100000737910_200010089984 [0,1,0,0,0,1|0,0,0]=2 1303 B20R3.2857533 Brc1c(ccc2c1cccc2)SCC3=NCCN3 62a_200010089984_100000737910 [0,1,0,0,0,1|0,0,0]=2 1304 B20R3.2857533 Brc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100016991755_200010089984 [0,1,0,0,0,1|0,0,2]=4 1305 B20R3.2857533 Brc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_200010089984_100016991755 [0,1,0,0,0,1|0,0,2]=4 1306 B20R3.2857533 Brc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100000765167_200010089984 [0,1,0,0,0,1|2,0,0]=4 1307 B20R3.2857533 Brc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_200010089984_100000765167 [0,1,0,0,0,1|2,0,0]=4 1308 B20R3.2857533 Brc1c(ccc2c1cccn2)NCC3=NCCN3 34a_200009995563_100000737910 [0,1,0,0,0,1|1,0,0]=3 1309 B20R3.2857533 Brc1c(ccc2c1cncc2)OCC3=NCCN3 34a_200010115057_100000737910 [0,1,0,0,0,1|1,0,0]=3 1310 B20R3.2857533 Brc1c(ccc2c1cncc2)OCC3=NCCN3 7a_200010115057_100000737910 [0,1,0,0,0,1|1,0,0]=3 1311 B20R3.2857533 Brc1c(ccc2c1nccc2)OCC3=NCCN3 34a_100010173343_100000737910 [0,1,0,0,0,1|1,0,0]=3 1312 B20R3.2857533 Brc1c(ccc2c1nccc2)OCC3=NCCN3 7a_100010173343_100000737910 [0,1,0,0,0,1|1,0,0]=3 1313 B20R3.2857533 Cc1c(ccc2c1cccc2)OCC3=NCCN3 34a_100009830054_100000737910 [0,1,0,0,0,1|0,0,0]=2 1314 B20R3.2857533 Cc1c(ccc2c1cccc2)OCC3=NCCN3 7a_100009830054_100000737910 [0,1,0,0,0,1|0,0,0]=2 1315 B20R3.2857533 Cc1c(ccc2c1cccc2)OCc3ncc[nH]3 34a_100009830054_100016991755 [0,1,0,0,0,1|0,0,2]=4 1316 B20R3.2857533 Cc1c(ccc2c1cccc2)OCc3ncc[nH]3 7a_100009830054_100000753453 [0,1,0,0,0,1|0,0,2]=4 1317 B20R3.2857533 Cc1c(ccc2c1cccc2)OCc3nnn[nH]3 34a_100009830054_100000765167 [0,1,0,0,0,1|2,0,0]=4 1318 B20R3.2857533 Cc1c(ccc2c1cccc2)OCc3nnn[nH]3 7a_100009830054_100000765167 [0,1,0,0,0,1|2,0,0]=4 1319 B20R3.2857533 Cc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100000737910_100010221197 [0,1,0,0,0,1|0,0,0]=2 1320 B20R3.2857533 Cc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100010221197_100000737910 [0,1,0,0,0,1|0,0,0]=2 1321 B20R3.2857533 Cc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100010221197_100016991755 [0,1,0,0,0,1|0,0,2]=4 1322 B20R3.2857533 Cc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100010221197 [0,1,0,0,0,1|0,0,2]=4 1323 B20R3.2857533 Cc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100010221197 [0,1,0,0,0,1|2,0,0]=4 1324 B20R3.2857533 Cc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100010221197_100000765167 [0,1,0,0,0,1|2,0,0]=4 1325 B20R3.2857533 Cc1c(ccc2c1cccn2)SCC3=NCCN3 62a_100000737910_200010137439 [0,1,0,0,0,1|1,0,0]=3 1326 B20R3.2857533 Cc1c(ccc2c1cccn2)SCC3=NCCN3 62a_200010137439_100000737910 [0,1,0,0,0,1|1,0,0]=3 1327 B20R3.2857533 Cc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010214467 [0,1,0,0,0,1|1,0,0]=3 1328 B20R3.2857533 Cc1c(ccc2c1nccn2)SCC3=NCCN3 62a_100000737910_100135414757 [0,1,0,0,0,1|2,0,0]=4 1329 B20R3.2857533 Cc1c(ccc2c1nccn2)SCC3=NCCN3 62a_100135414757_100000737910 [0,1,0,0,0,1|2,0,0]=4 1330 B20R3.2857533 Clc1c(ccc2c1cccc2)NCC3=NCCN3 34a_100000075557_100000737910 [0,1,0,0,0,1|0,0,0]=2 1331 B20R3.2857533 Clc1c(ccc2c1cccc2)NCc3ncc[nH]3 34a_100000075557_100016991755 [0,1,0,0,0,1|0,0,2]=4 1332 B20R3.2857533 Clc1c(ccc2c1cccc2)NCc3nnn[nH]3 34a_100000075557_100000765167 [0,1,0,0,0,1|2,0,0]=4 1333 B20R3.2857533 Clc1c(ccc2c1cccc2)OCC3=NCCN3 34a_100000029778_100000737910 [0,1,0,0,0,1|0,0,0]=2 1334 B20R3.2857533 Clc1c(ccc2c1cccc2)OCC3=NCCN3 7a_100000029778_100000737910 [0,1,0,0,0,1|0,0,0]=2 1335 B20R3.2857533 Clc1c(ccc2c1cccc2)OCc3ncc[nH]3 34a_100000029778_100016991755 [0,1,0,0,0,1|0,0,2]=4 1336 B20R3.2857533 Clc1c(ccc2c1cccc2)OCc3ncc[nH]3 7a_100000029778_100000753453 [0,1,0,0,0,1|0,0,2]=4 1337 B20R3.2857533 Clc1c(ccc2c1cccc2)OCc3nnn[nH]3 34a_100000029778_100000765167 [0,1,0,0,0,1|2,0,0]=4 1338 B20R3.2857533 Clc1c(ccc2c1cccc2)OCc3nnn[nH]3 7a_100000029778_100000765167 [0,1,0,0,0,1|2,0,0]=4 1339 B20R3.2857533 Clc1c(ccc2c1ccnc2)NCC3=NCCN3 34a_100009851981_100000737910 [0,1,0,0,0,1|1,0,0]=3 1340 B20R3.2857533 Clc1c(ccc2c1ccnc2)OCC3=NCCN3 34a_100009824633_100000737910 [0,1,0,0,0,1|1,0,0]=3 1341 B20R3.2857533 Clc1c(ccc2c1ccnc2)OCC3=NCCN3 7a_100009824633_100000737910 [0,1,0,0,0,1|1,0,0]=3 1342 B20R3.2857533 Clc1c(cnc2c1cccc2)SCC3=NCCN3 62a_100000737910_100012352519 [0,1,0,0,0,1|1,0,0]=3 1343 B20R3.2857533 Fc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100000737910_100009832041 [0,1,0,0,0,1|0,0,0]=2 1344 B20R3.2857533 Fc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100009832041_100000737910 [0,1,0,0,0,1|0,0,0]=2 1345 B20R3.2857533 Fc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100009832041_100016991755 [0,1,0,0,0,1|0,0,2]=4 1346 B20R3.2857533 Fc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100009832041 [0,1,0,0,0,1|0,0,2]=4 1347 B20R3.2857533 Fc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100009832041 [0,1,0,0,0,1|2,0,0]=4 1348 B20R3.2857533 Fc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100009832041_100000765167 [0,1,0,0,0,1|2,0,0]=4 1349 B20R3.2857533 Fc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010751467 [0,1,0,0,0,1|1,0,0]=3 1350 B20R3.2857533 Fc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100010751467_100000737910 [0,1,0,0,0,1|1,0,0]=3 1351 B20R3.2857533 Ic1c(ccc2c1cccc2)OCC3=NCCN3 34a_100000041551_100000737910 [0,1,0,0,0,1|0,0,0]=2 1352 B20R3.2857533 Ic1c(ccc2c1cccc2)OCC3=NCCN3 7a_100000041551_100000737910 [0,1,0,0,0,1|0,0,0]=2 1353 B20R3.2857533 Ic1c(ccc2c1cccc2)OCc3ncc[nH]3 34a_100000041551_100016991755 [0,1,0,0,0,1|0,0,2]=4 1354 B20R3.2857533 Ic1c(ccc2c1cccc2)OCc3ncc[nH]3 7a_100000041551_100000753453 [0,1,0,0,0,1|0,0,2]=4 1355 B20R3.2857533 Ic1c(ccc2c1cccc2)OCc3nnn[nH]3 34a_100000041551_100000765167 [0,1,0,0,0,1|2,0,0]=4 1356 B20R3.2857533 Ic1c(ccc2c1cccc2)OCc3nnn[nH]3 7a_100000041551_100000765167 [0,1,0,0,0,1|2,0,0]=4 1357 B20R3.2857533 Nc1c(ccc2c1cccc2)OCC3=NCCN3 34a_100000007056_100000737910 [0,1,0,0,0,1|0,0,0]=2 1358 B20R3.2857533 Nc1c(ccc2c1cccc2)OCC3=NCCN3 7a_100000007056_100000737910 [0,1,0,0,0,1|0,0,0]=2 1359 B20R3.2857533 Nc1c(ccc2c1cccc2)OCc3ncc[nH]3 34a_100000007056_100016991755 [0,1,0,0,0,1|0,0,2]=4 1360 B20R3.2857533 Nc1c(ccc2c1cccc2)OCc3ncc[nH]3 7a_100000007056_100000753453 [0,1,0,0,0,1|0,0,2]=4 1361 B20R3.2857533 Nc1c(ccc2c1cccc2)OCc3nnn[nH]3 34a_100000007056_100000765167 [0,1,0,0,0,1|2,0,0]=4 1362 B20R3.2857533 Nc1c(ccc2c1cccc2)OCc3nnn[nH]3 7a_100000007056_100000765167 [0,1,0,0,0,1|2,0,0]=4 1363 B20R3.2857533 Nc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100009817101_100000737910 [0,1,0,0,0,1|0,0,0]=2 1364 B20R3.2857533 Nc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100009817101_100016991755 [0,1,0,0,0,1|0,0,2]=4 1365 B20R3.2857533 Nc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100009817101_100000765167 [0,1,0,0,0,1|2,0,0]=4 1366 B20R3.2857533 Nc1c(ccc2c1cccn2)SCC3=NCCN3 62a_200010235790_100000737910 [0,1,0,0,0,1|1,0,0]=3 1367 B20R3.2857533 Nc1c(ccc2c1ccnc2)SCC3=NCCN3 62a_100000737910_100010191621 [0,1,0,0,0,1|1,0,0]=3 1368 B20R3.2857533 Nc1c(ccc2c1ccnc2)SCC3=NCCN3 62a_100010191621_100000737910 [0,1,0,0,0,1|1,0,0]=3 1369 B20R3.2857533 Nc1c(cnc2c1cccc2)SCC3=NCCN3 62a_100000737910_100009995562 [0,1,0,0,0,1|1,0,0]=3 1370 B20R3.2857533 Nc1c(cnc2c1cccc2)SCC3=NCCN3 62a_100009995562_100000737910 [0,1,0,0,0,1|1,0,0]=3 1371 B20R3.2857533 Nc1c(ncc2c1cccc2)SCC3=NCCN3 62a_100000737910_100000087573 [0,1,0,0,0,1|1,0,0]=3 1372 B20R3.2857533 Nc1c(ncc2c1cccc2)SCC3=NCCN3 62a_100009995564_100000737910 [0,1,0,0,0,1|1,0,0]=3 1373 B20R3.2857533 O=c1c(c[nH]c2c1cccc2)SCC3=NCCN3 62a_100000737910_100012348052 [0,1,0,0,0,1|1,0,0]=3 1374 B20R3.2857533 O=c1c(coc2c1cccc2)SCC3=NCCN3 62a_100000737910_100009813851 [0,1,0,0,0,1|1,0,0]=3 1375 B20R3.2857533 Oc1c(ccc2c1cccc2)NCC3=NCCN3 34a_100000007060_100000737910 [0,1,0,0,0,1|0,0,0]=2 1376 B20R3.2857533 Oc1c(ccc2c1cccc2)NCc3ncc[nH]3 34a_100000007060_100016991755 [0,1,0,0,0,1|0,0,2]=4 1377 B20R3.2857533 Oc1c(ccc2c1cccc2)NCc3nnn[nH]3 34a_100000007060_100000765167 [0,1,0,0,0,1|2,0,0]=4 1378 B20R3.2857533 Oc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100000737910_100009996032 [0,1,0,0,0,1|0,0,0]=2 1379 B20R3.2857533 Oc1c(ccc2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100009996032 [0,1,0,0,0,1|0,0,2]=4 1380 B20R3.2857533 Oc1c(ccc2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100009996032 [0,1,0,0,0,1|2,0,0]=4 1381 B20R3.2857533 Oc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100000737910_100009816563 [0,1,0,0,0,1|1,0,0]=3 1382 B20R3.2857533 Oc1c(nnc2c1cccc2)SCC3=NCCN3 62a_100000737910_100000688347 [0,1,0,0,0,1|2,0,0]=4 1383 B20R3.4390679 Brc1cccc2c1cc(cc2)OCC3=NCCN3 34a_100010169565_100000737910 [0,1,0,0,0,1|0,0,0]=2 1384 B20R3.4390679 Brc1cccc2c1cc(cc2)OCC3=NCCN3 7a_100010169565_100000737910 [0,1,0,0,0,1|0,0,0]=2 1385 B20R3.4390679 Brc1cccc2c1cc(cc2)OCc3ncc[nH]3 34a_100010169565_100016991755 [0,1,0,0,0,1|0,0,2]=4 1386 B20R3.4390679 Brc1cccc2c1cc(cc2)OCc3ncc[nH]3 7a_100010169565_100000753453 [0,1,0,0,0,1|0,0,2]=4 1387 B20R3.4390679 Brc1cccc2c1cc(cc2)OCc3nnn[nH]3 34a_100010169565_100000765167 [0,1,0,0,0,1|2,0,0]=4 1388 B20R3.4390679 Brc1cccc2c1cc(cc2)OCc3nnn[nH]3 7a_100010169565_100000765167 [0,1,0,0,0,1|2,0,0]=4 1389 B20R3.4390679 Brc1ccnc2c1cc(cc2)NCC3=NCCN3 34a_100010074812_100000737910 [0,1,0,0,0,1|1,0,0]=3 1390 B20R3.4390679 Brc1ccnc2c1cc(cc2)OCC3=NCCN3 34a_100010204251_100000737910 [0,1,0,0,0,1|1,0,0]=3 1391 B20R3.4390679 Brc1ccnc2c1cc(cc2)OCC3=NCCN3 7a_100010204251_100000737910 [0,1,0,0,0,1|1,0,0]=3 1392 B20R3.4390679 Cc1cccc2c1cc(cc2)OCC3=NCCN3 34a_200000091600_100000737910 [0,1,0,0,0,1|0,0,0]=2 1393 B20R3.4390679 Cc1cccc2c1cc(cc2)OCC3=NCCN3 7a_200000091600_100000737910 [0,1,0,0,0,1|0,0,0]=2 1394 B20R3.4390679 Cc1cccc2c1cc(cc2)OCc3ncc[nH]3 34a_200000091600_100016991755 [0,1,0,0,0,1|0,0,2]=4 1395 B20R3.4390679 Cc1cccc2c1cc(cc2)OCc3ncc[nH]3 7a_200000091600_100000753453 [0,1,0,0,0,1|0,0,2]=4 1396 B20R3.4390679 Cc1cccc2c1cc(cc2)OCc3nnn[nH]3 34a_200000091600_100000765167 [0,1,0,0,0,1|2,0,0]=4 1397 B20R3.4390679 Cc1cccc2c1cc(cc2)OCc3nnn[nH]3 7a_200000091600_100000765167 [0,1,0,0,0,1|2,0,0]=4 1398 B20R3.4390679 Cc1cccc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100010089936 [0,1,0,0,0,1|0,0,0]=2 1399 B20R3.4390679 Cc1cccc2c1cc(cc2)SCc3ncc[nH]3 62a_100016991755_100010089936 [0,1,0,0,0,1|0,0,2]=4 1400 B20R3.4390679 Cc1cccc2c1cc(cc2)SCc3nnn[nH]3 62a_100000765167_100010089936 [0,1,0,0,0,1|2,0,0]=4 1401 B20R3.4390679 Cc1cccc2c1nc(cc2)SCC3=NCCN3 62a_100000737910_100012002297 [0,1,0,0,0,1|1,0,0]=3 1402 B20R3.4390679 Cc1ccnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100009817033 [0,1,0,0,0,1|1,0,0]=3 1403 B20R3.4390679 Cc1ccnc2c1cc(cc2)SCC3=NCCN3 62a_100009817033_100000737910 [0,1,0,0,0,1|1,0,0]=3 1404 B20R3.4390679 Cc1nccc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_200010739692 [0,1,0,0,0,1|1,0,0]=3 1405 B20R3.4390679 Cc1nccc2c1cc(cc2)SCC3=NCCN3 62a_200010739692_100000737910 [0,1,0,0,0,1|1,0,0]=3 1406 B20R3.4390679 Cc1ncnc2c1cc(cc2)SCC3=NCCN3 62a_100000700471_100000737910 [0,1,0,0,0,1|2,0,0]=4 1407 B20R3.4390679 Cc1ncnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100000700471 [0,1,0,0,0,1|2,0,0]=4 1408 B20R3.4390679 Clc1ccnc2c1cc(cc2)NCC3=NCCN3 34a_100009879071_100000737910 [0,1,0,0,0,1|1,0,0]=3 1409 B20R3.4390679 Clc1ccnc2c1cc(cc2)OCC3=NCCN3 34a_100000075933_100000737910 [0,1,0,0,0,1|1,0,0]=3 1410 B20R3.4390679 Clc1ccnc2c1cc(cc2)OCC3=NCCN3 7a_100000075933_100000737910 [0,1,0,0,0,1|1,0,0]=3 1411 B20R3.4390679 Clc1ccnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100011310491 [0,1,0,0,0,1|1,0,0]=3 1412 B20R3.4390679 Clc1ccnc2c1cc(cc2)SCC3=NCCN3 62a_100011310491_100000737910 [0,1,0,0,0,1|1,0,0]=3 1413 B20R3.4390679 Clc1nccc2c1cc(cc2)OCC3=NCCN3 34a_200009844553_100000737910 [0,1,0,0,0,1|1,0,0]=3 1414 B20R3.4390679 Clc1nccc2c1cc(cc2)OCC3=NCCN3 7a_200009844553_100000737910 [0,1,0,0,0,1|1,0,0]=3 1415 B20R3.4390679 Clc1ncnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100000757566 [0,1,0,0,0,1|2,0,0]=4 1416 B20R3.4390679 Fc1cccc2c1cc(cc2)OCC3=NCCN3 34a_100000091619_100000737910 [0,1,0,0,0,1|0,0,0]=2 1417 B20R3.4390679 Fc1cccc2c1cc(cc2)OCC3=NCCN3 7a_100000091619_100000737910 [0,1,0,0,0,1|0,0,0]=2 1418 B20R3.4390679 Fc1cccc2c1cc(cc2)OCc3ncc[nH]3 34a_100000091619_100016991755 [0,1,0,0,0,1|0,0,2]=4 1419 B20R3.4390679 Fc1cccc2c1cc(cc2)OCc3ncc[nH]3 7a_100000091619_100000753453 [0,1,0,0,0,1|0,0,2]=4 1420 B20R3.4390679 Fc1cccc2c1cc(cc2)OCc3nnn[nH]3 34a_100000091619_100000765167 [0,1,0,0,0,1|2,0,0]=4 1421 B20R3.4390679 Fc1cccc2c1cc(cc2)OCc3nnn[nH]3 7a_100000091619_100000765167 [0,1,0,0,0,1|2,0,0]=4 1422 B20R3.4390679 Fc1cccc2c1nc(cc2)SCC3=NCCN3 62a_100000737910_100012017632 [0,1,0,0,0,1|1,0,0]=3 1423 B20R3.4390679 Nc1cccc2c1cc(cc2)OCC3=NCCN3 34a_100000034012_100000737910 [0,1,0,0,0,1|0,0,0]=2 1424 B20R3.4390679 Nc1cccc2c1cc(cc2)OCC3=NCCN3 7a_100000034012_100000737910 [0,1,0,0,0,1|0,0,0]=2 1425 B20R3.4390679 Nc1cccc2c1cc(cc2)OCc3ncc[nH]3 34a_100000034012_100016991755 [0,1,0,0,0,1|0,0,2]=4 1426 B20R3.4390679 Nc1cccc2c1cc(cc2)OCc3ncc[nH]3 7a_100000034012_100000753453 [0,1,0,0,0,1|0,0,2]=4 1427 B20R3.4390679 Nc1cccc2c1cc(cc2)OCc3nnn[nH]3 34a_100000034012_100000765167 [0,1,0,0,0,1|2,0,0]=4 1428 B20R3.4390679 Nc1cccc2c1cc(cc2)OCc3nnn[nH]3 7a_100000034012_100000765167 [0,1,0,0,0,1|2,0,0]=4 1429 B20R3.4390679 Nc1cccc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100010090012 [0,1,0,0,0,1|0,0,0]=2 1430 B20R3.4390679 Nc1cccc2c1cc(cc2)SCC3=NCCN3 62a_100010090012_100000737910 [0,1,0,0,0,1|0,0,0]=2 1431 B20R3.4390679 Nc1cccc2c1cc(cc2)SCc3ncc[nH]3 62a_100010090012_100016991755 [0,1,0,0,0,1|0,0,2]=4 1432 B20R3.4390679 Nc1cccc2c1cc(cc2)SCc3ncc[nH]3 62a_100016991755_100010090012 [0,1,0,0,0,1|0,0,2]=4 1433 B20R3.4390679 Nc1cccc2c1cc(cc2)SCc3nnn[nH]3 62a_100000765167_100010090012 [0,1,0,0,0,1|2,0,0]=4 1434 B20R3.4390679 Nc1cccc2c1cc(cc2)SCc3nnn[nH]3 62a_100010090012_100000765167 [0,1,0,0,0,1|2,0,0]=4 1435 B20R3.4390679 Nc1cccc2c1cc(cn2)SCC3=NCCN3 62a_100000737910_100010264086 [0,1,0,0,0,1|1,0,0]=3 1436 B20R3.4390679 Nc1cccc2c1cc(cn2)SCC3=NCCN3 62a_100010264086_100000737910 [0,1,0,0,0,1|1,0,0]=3 1437 B20R3.4390679 Nc1ccnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100011620571 [0,1,0,0,0,1|1,0,0]=3 1438 B20R3.4390679 Nc1ccnc2c1cc(cc2)SCC3=NCCN3 62a_100011620571_100000737910 [0,1,0,0,0,1|1,0,0]=3 1439 B20R3.4390679 Nc1nccc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100012352255 [0,1,0,0,0,1|1,0,0]=3 1440 B20R3.4390679 Nc1nccc2c1cc(cc2)SCC3=NCCN3 62a_100012352255_100000737910 [0,1,0,0,0,1|1,0,0]=3 1441 B20R3.4390679 Nc1ncnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100011390335 [0,1,0,0,0,1|2,0,0]=4 1442 B20R3.4390679 Nc1ncnc2c1cc(cc2)SCC3=NCCN3 62a_100011390335_100000737910 [0,1,0,0,0,1|2,0,0]=4 1443 B20R3.4390679 O=c1[nH]ccc2c1cc(cn2)SCC3=NCCN3 62a_100000737910_100010134370 [0,1,0,0,0,1|2,0,0]=4 1444 B20R3.4390679 O=c1[nH]cnc2c1cc(cc2)OCC3=NCCN3 7a_100011934087_100000737910 [0,1,0,0,0,1|2,0,0]=4 1445 B20R3.4390679 O=c1[nH]cnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100000755678 [0,1,0,0,0,1|2,0,0]=4 1446 B20R3.4390679 O=c1[nH]ncc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100015864262 [0,1,0,0,0,1|2,0,0]=4 1447 B20R3.4390679 O=c1cc[nH]c2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100000746092 [0,1,0,0,0,1|1,0,0]=3 1448 B20R3.4390679 O=c1ccnc2n1cc(cc2)SCC3=NCCN3 62a_100000737910_100010178973 [0,1,0,0,0,1|2,0,0]=4 1449 B20R3.4390679 O=c1ccnc2n1cc(cc2)SCC3=NCCN3 62a_100010178973_100000737910 [0,1,0,0,0,1|2,0,0]=4 1450 B20R3.4390679 O=c1ccoc2c1cc(cc2)NCC3=NCCN3 34a_100000088200_100000737910 [0,1,0,0,0,1|1,0,0]=3 1451 B20R3.4390679 O=c1ccoc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100009813387 [0,1,0,0,0,1|1,0,0]=3 1452 B20R3.4390679 Oc1cccc2c1cc(cc2)NCC3=NCCN3 34a_100132313934_100000737910 [0,1,0,0,0,1|0,0,0]=2 1453 B20R3.4390679 Oc1cccc2c1cc(cc2)NCc3ncc[nH]3 34a_100132313934_100016991755 [0,1,0,0,0,1|0,0,2]=4 1454 B20R3.4390679 Oc1cccc2c1cc(cc2)NCc3nnn[nH]3 34a_100132313934_100000765167 [0,1,0,0,0,1|2,0,0]=4 1455 B20R3.4390679 Oc1cccc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100010089991 [0,1,0,0,0,1|0,0,0]=2 1456 B20R3.4390679 Oc1cccc2c1cc(cc2)SCc3ncc[nH]3 62a_100016991755_100010089991 [0,1,0,0,0,1|0,0,2]=4 1457 B20R3.4390679 Oc1cccc2c1cc(cc2)SCc3nnn[nH]3 62a_100000765167_100010089991 [0,1,0,0,0,1|2,0,0]=4 1458 B20R3.4390679 Oc1cccc2c1cc(cn2)SCC3=NCCN3 62a_100000737910_200010153752 [0,1,0,0,0,1|1,0,0]=3 1459 B20R3.4390679 Oc1cccc2c1nc(cc2)SCC3=NCCN3 62a_100000737910_100000013812 [0,1,0,0,0,1|1,0,0]=3 1460 B20R3.4390679 Oc1cccc2c1nc(nc2)SCC3=NCCN3 62a_100000737910_100010674811 [0,1,0,0,0,1|2,0,0]=4 1461 B20R3.4390679 Oc1cncc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100010136424 [0,1,0,0,0,1|1,0,0]=3 1462 B20R3.4390679 Oc1cnnc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100010074700 [0,1,0,0,0,1|2,0,0]=4 1463 B20R3.4390679 Oc1nccc2c1cc(cc2)SCC3=NCCN3 62a_100000737910_100000010956 [0,1,0,0,0,1|1,0,0]=3 1464 B16R1.1570 CCNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183381 [0,0,2,0,0,0|2,0,0]=4 1465 B18R3.119103 O=C(Cc1ccc2ccccc2c1)C3CC3 1458a_100000210395_100011216711 [0,0,1,1,0,0|2,0,0]=4 1466 B18R3.3347 c1ccc2c(coc2c1)SCC3=NCCN3 62a_100000737910_100009812202 [0,0,1,1,0,0|2,0,0]=4 1467 B18R3.3347 c1ccc2c(csc2c1)OCC3=NCCN3 34a_100000077758_100000737910 [0,0,1,1,0,0|2,0,0]=4 1468 B18R3.3347 c1ccc2c(csc2c1)OCC3=NCCN3 7a_100000077758_100000737910 [0,0,1,1,0,0|2,0,0]=4 1469 B18R3.3347 c1ccc2c(csc2c1)SCC3=NCCN3 62a_100000737910_100009813928 [0,0,1,1,0,0|2,0,0]=4 1470 B18R3.17797 C=Cc1ccccc1c2cnc3n2CCC3 271570a_100000037480_100000717441 [0,0,1,1,0,0|2,0,0]=4 1471 B18R3.12728 c1ccc2[nH]c(cc2c1)SCC3=NCCN3 62a_100000737910_100010232065 [0,0,1,1,0,0|2,0,0]=4 1472 B18R3.12728 c1ccc2oc(cc2c1)SCC3=NCCN3 62a_100000737910_100010159458 [0,0,1,1,0,0|2,0,0]=4 1473 B18R3.12728 c1ccc2sc(cc2c1)SCC3=NCCN3 62a_100000737910_100009816949 [0,0,1,1,0,0|2,0,0]=4 1474 B18R3.228675 c1ccc2cc(ccc2c1)CCNC3CC3 34a_100000746582_100000211595 [0,0,1,1,0,0|1,0,1]=4 1475 B18R3.12830 C(=Cc1cn2c(n1)CCC2)c3ccccc3 271570a_100102527694_100015205953 [0,0,1,1,0,0|2,0,0]=4 1476 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 11a_100015525214_100000183835 [0,0,1,0,1,0|2,0,0]=4 1477 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 240690a_100015525214_100000183835 [0,0,1,0,1,0|2,0,0]=4 1478 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 527a_100015525214_100000183835 [0,0,1,0,1,0|2,0,0]=4 1479 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 11a_100015525214_100000217546 [0,0,1,0,1,0|2,0,0]=4 1480 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 240690a_100015525214_100000217546 [0,0,1,0,1,0|2,0,0]=4 1481 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 527a_100015525214_100000217546 [0,0,1,0,1,0|2,0,0]=4 1482 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 11a_100015525214_100000741031 [0,0,1,0,1,0|2,0,0]=4 1483 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 240690a_100015525214_100000741031 [0,0,1,0,1,0|2,0,0]=4 1484 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 527a_100015525214_100000741031 [0,0,1,0,1,0|2,0,0]=4 1485 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 11a_100015525214_100000743657 [0,0,1,0,1,0|2,0,0]=4 1486 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 240690a_100015525214_100000743657 [0,0,1,0,1,0|2,0,0]=4 1487 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 527a_100015525214_100000743657 [0,0,1,0,1,0|2,0,0]=4 1488 B16R2.734 CCNC(=O)Cc1cc2ccccc2[nH]1 11a_100015525214_100000066551 [0,0,1,0,1,0|2,0,0]=4 1489 B16R2.734 CCNC(=O)Cc1cc2ccccc2[nH]1 240690a_100015525214_100000066551 [0,0,1,0,1,0|2,0,0]=4 1490 B16R2.734 CCNC(=O)Cc1cc2ccccc2[nH]1 527a_100015525214_100000066551 [0,0,1,0,1,0|2,0,0]=4 1491 B16R2.734 CCNC(=O)Cc1cc2ccccc2o1 11a_100015525214_100000735538 [0,0,1,0,1,0|2,0,0]=4 1492 B16R2.734 CCNC(=O)Cc1cc2ccccc2o1 240690a_100015525214_100000735538 [0,0,1,0,1,0|2,0,0]=4 1493 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 11a_100015525214_100012001211 [0,0,1,0,1,0|2,0,0]=4 1494 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 240690a_100015525214_100012001211 [0,0,1,0,1,0|2,0,0]=4 1495 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210303 [0,0,1,0,1,0|2,0,0]=4 1496 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 11a_100015525214_100000210637 [0,0,1,0,1,0|1,0,0]=3 1497 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 240690a_100015525214_100000210637 [0,0,1,0,1,0|1,0,0]=3 1498 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 527a_100015525214_100000210637 [0,0,1,0,1,0|1,0,0]=3 1499 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 11a_100015525214_100011933907 [0,0,1,0,1,0|2,0,0]=4 1500 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 240690a_100015525214_100011933907 [0,0,1,0,1,0|2,0,0]=4 1501 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 527a_100015525214_100011933907 [0,0,1,0,1,0|2,0,0]=4 1502 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 11a_100015525214_100000070124 [0,0,1,0,1,0|2,0,0]=4 1503 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 240690a_100015525214_100000070124 [0,0,1,0,1,0|2,0,0]=4 1504 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 527a_100015525214_100000070124 [0,0,1,0,1,0|2,0,0]=4 1505 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 11a_100015525214_100011935275 [0,0,1,0,1,0|2,0,0]=4 1506 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 240690a_100015525214_100011935275 [0,0,1,0,1,0|2,0,0]=4 1507 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 527a_100015525214_100011935275 [0,0,1,0,1,0|2,0,0]=4 1508 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 11a_100015525214_100011216044 [0,0,1,0,1,0|2,0,0]=4 1509 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 240690a_100015525214_100011216044 [0,0,1,0,1,0|2,0,0]=4 1510 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 527a_100015525214_100011216044 [0,0,1,0,1,0|2,0,0]=4 1511 B16R2.767 CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210202 [0,0,1,0,1,0|1,0,1]=4 1512 B16R2.767 CCNC(C)c1ccc2ccccc2c1 269862a_100015525214_100000210793 [0,0,1,0,1,0|1,0,1]=4 1513 B16R2.767 CNNC(=O)c1ccc2ccccc2c1 22a_100016993582_100000210637 [0,0,1,0,1,0|2,0,0]=4 1514 B16R2.2151 CCNC(=O)Cc1ccc2cc[nH]c2c1 11a_100015525214_100000094508 [0,0,1,0,1,0|2,0,0]=4 1515 B16R2.2151 CCNC(=O)Cc1ccc2cc[nH]c2c1 527a_100015525214_100000094508 [0,0,1,0,1,0|2,0,0]=4 1516 B16R2.2151 CCNC(=O)Cc1ccc2occc2c1 11a_100015525214_100000096804 [0,0,1,0,1,0|2,0,0]=4 1517 B16R2.2151 CCNC(=O)Cc1ccc2occc2c1 240690a_100015525214_100000096804 [0,0,1,0,1,0|2,0,0]=4 1518 B16R2.2151 CCNC(=O)Cc1ccc2occc2c1 527a_100015525214_100000096804 [0,0,1,0,1,0|2,0,0]=4 1519 B16R2.1480 C=Cc1ccccc1NCC2=NCCN2 34a_100012022501_100000737910 [0,0,1,0,1,0|1,0,0]=3 1520 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011218376 [0,0,1,0,1,0|1,0,0]=3 1521 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100011218376_100000737910 [0,0,1,0,1,0|1,0,0]=3 1522 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000210073_100000737910 [0,0,1,0,1,0|2,0,0]=4 1523 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210073 [0,0,1,0,1,0|2,0,0]=4 1524 B16R2.442 CCC(NC)c1ccc2ccccc2c1 269862a_106832991636_200011220454 [0,0,1,0,1,0|1,0,1]=4 1525 B16R2.442 CC[C@H](NC)c1ccc2ccccc2c1 2230a_100020639264_200000210301 [0,0,1,0,1,0|1,0,1]=4 1526 B16R2.442 CC[C@H](N[13CH3])c1ccc2ccccc2c1 2230a_100020639264_200025704644 [0,0,1,0,1,0|1,0,1]=4 1527 B16R3.63903 c1ccc2cc(ccc2c1)NC3CC3 34a_100000211940_100000211595 [0,0,0,0,2,0|1,0,1]=4 1528 B16R3.63903 c1ccc2cc(ccc2c1)OC3CC3 34a_100000185828_100000211595 [0,0,0,0,2,0|1,0,1]=4 1529 B18R2.2907 C=CCOc1ccc(cc1)SCC2=NCCN2 62a_100000172055_100000737910 [0,0,1,0,0,1|1,0,1]=4 1530 B18R2.2907 C=CCOc1ccc(cc1)SCC2=NCCN2 62a_100000737910_100000172055 [0,0,1,0,0,1|1,0,1]=4 1531 B18R2.2907 COC=Cc1ccc(cc1)SCC2=NCCN2 62a_100000737910_100020630460 [0,0,1,0,0,1|1,0,1]=4 1532 B18R2.2907 COC=Cc1ccc(cc1)SCC2=NCCN2 62a_100020630460_100000737910 [0,0,1,0,0,1|1,0,1]=4 1533 B18R2.2907 O=C/C=C/c1ccc(cc1)SCC2=NCCN2 62a_100000737910_100016291818 [0,0,1,0,0,1|1,0,0]=3 1534 B18R2.2907 O=C/C=C/c1ccc(cc1)SCC2=NCCN2 62a_100016291818_100000737910 [0,0,1,0,0,1|1,0,0]=3 1535 B18R2.110872 O=Cc1ccc(cc1C=O)SCC2=NCCN2 62a_200010077131_100000737910 [0,0,1,0,0,1|2,0,0]=4 1536 B18R3.36602 C1=Cc2cc(ccc2C1)SCC3=NCCN3 62a_100000737910_100009814306 [0,0,0,0,1,1|0,0,1]=3 1537 B18R3.36602 C1=Cc2cc(ccc2C1)SCC3=NCCN3 62a_100009814306_100000737910 [0,0,0,0,1,1|0,0,1]=3 1538 B18R3.36602 C1=Cc2ccc(cc2C1)SCC3=NCCN3 62a_100000737910_200009818231 [0,0,0,0,1,1|0,0,1]=3 1539 B18R3.36602 C1=Cc2ccc(cc2C1)SCC3=NCCN3 62a_200009818231_100000737910 [0,0,0,0,1,1|0,0,1]=3 1540 B18R3.36602 c1cc2[nH]ncc2cc1SCC3=NCCN3 62a_100000737910_100000049815 [0,0,0,0,1,1|2,0,0]=4 1541 B18R3.36602 c1cc2cc(ccc2[nH]1)OCC3=NCCN3 34a_100000756620_100000737910 [0,0,0,0,1,1|1,0,0]=3 1542 B18R3.36602 c1cc2cc(ccc2[nH]1)SCC3=NCCN3 62a_100000737910_100000035808 [0,0,0,0,1,1|1,0,0]=3 1543 B18R3.36602 c1cc2cc(ccc2o1)NCC3=NCCN3 34a_106430523501_100000737910 [0,0,0,0,1,1|1,0,0]=3 1544 B18R3.36602 c1cc2cc(ccc2o1)OCC3=NCCN3 34a_100000070125_100000737910 [0,0,0,0,1,1|1,0,0]=3 1545 B18R3.36602 c1cc2cc(ccc2o1)OCC3=NCCN3 7a_100000070125_100000737910 [0,0,0,0,1,1|1,0,0]=3 1546 B18R3.36602 c1cc2cc(ccc2o1)SCC3=NCCN3 62a_100000737910_100000691453 [0,0,0,0,1,1|1,0,0]=3 1547 B18R3.36602 c1cc2cc(ccc2s1)NCC3=NCCN3 34a_100000681076_100000737910 [0,0,0,0,1,1|1,0,0]=3 1548 B18R3.36602 c1cc2cc(ccc2s1)OCC3=NCCN3 34a_100012180905_100000737910 [0,0,0,0,1,1|1,0,0]=3 1549 B18R3.36602 c1cc2cc(ccc2s1)OCC3=NCCN3 7a_100012180905_100000737910 [0,0,0,0,1,1|1,0,0]=3 1550 B18R3.36602 c1cc2cc(ccc2s1)SCC3=NCCN3 62a_100000737910_100009814439 [0,0,0,0,1,1|1,0,0]=3 1551 B18R3.36602 c1cc2cc(ccn2n1)SCC3=NCCN3 62a_100000737910_100000763084 [0,0,0,0,1,1|2,0,0]=4 1552 B18R3.36602 c1cc2cc(cnc2[nH]1)OCC3=NCCN3 34a_100000087691_100000737910 [0,0,0,0,1,1|2,0,0]=4 1553 B18R3.36602 c1cc2cc(cnc2[nH]1)SCC3=NCCN3 62a_100000737910_100000760471 [0,0,0,0,1,1|2,0,0]=4 1554 B18R3.36602 c1cc2cc(cnc2s1)SCC3=NCCN3 62a_100000737910_100010135160 [0,0,0,0,1,1|2,0,0]=4 1555 B18R3.36602 c1cc2cc(ncc2[nH]1)SCC3=NCCN3 62a_100000737910_100009864809 [0,0,0,0,1,1|2,0,0]=4 1556 B18R3.36602 c1cc2ccc(cc2[nH]1)OCC3=NCCN3 34a_100000036713_100000737910 [0,0,0,0,1,1|1,0,0]=3 1557 B18R3.36602 c1cc2ccc(cc2[nH]1)SCC3=NCCN3 62a_100000737910_100000743809 [0,0,0,0,1,1|1,0,0]=3 1558 B18R3.36602 c1cc2ccc(cc2o1)NCC3=NCCN3 34a_100000102395_100000737910 [0,0,0,0,1,1|1,0,0]=3 1559 B18R3.36602 c1cc2ccc(cc2o1)OCC3=NCCN3 34a_100000089557_100000737910 [0,0,0,0,1,1|1,0,0]=3 1560 B18R3.36602 c1cc2ccc(cc2o1)OCC3=NCCN3 7a_100000089557_100000737910 [0,0,0,0,1,1|1,0,0]=3 1561 B18R3.36602 c1cc2ccc(cc2o1)SCC3=NCCN3 62a_100000737910_100000759542 [0,0,0,0,1,1|1,0,0]=3 1562 B18R3.36602 c1cc2ccc(cc2s1)SCC3=NCCN3 62a_100000737910_100009888917 [0,0,0,0,1,1|1,0,0]=3 1563 B18R3.36602 c1cc2ccc(cn2n1)SCC3=NCCN3 62a_100000737910_100009820231 [0,0,0,0,1,1|2,0,0]=4 1564 B18R3.36602 c1cc2ccc(nc2[nH]1)SCC3=NCCN3 62a_100000737910_100009814870 [0,0,0,0,1,1|2,0,0]=4 1565 B18R3.36602 c1cc2cn[nH]c2cc1SCC3=NCCN3 62a_100000737910_100000049514 [0,0,0,0,1,1|2,0,0]=4 1566 B18R3.36602 c1cc2cnc(cc2[nH]1)SCC3=NCCN3 62a_100000737910_100000089685 [0,0,0,0,1,1|2,0,0]=4 1567 B18R3.36602 c1cc2cnc(cc2s1)SCC3=NCCN3 62a_100000737910_200016184645 [0,0,0,0,1,1|2,0,0]=4 1568 B18R3.36602 c1cc2cncn2cc1SCC3=NCCN3 62a_100000737910_100009887162 [0,0,0,0,1,1|2,0,0]=4 1569 B18R3.36602 c1cc2cnoc2cc1NCC3=NCCN3 34a_100000084182_100000737910 [0,0,0,0,1,1|2,0,0]=4 1570 B18R3.36602 c1cc2cnoc2cc1OCC3=NCCN3 34a_100000098417_100000737910 [0,0,0,0,1,1|2,0,0]=4 1571 B18R3.36602 c1cc2cnoc2cc1OCC3=NCCN3 7a_100000098417_100000737910 [0,0,0,0,1,1|2,0,0]=4 1572 B18R3.36602 c1cc2cnoc2cc1SCC3=NCCN3 62a_100000737910_100009817722 [0,0,0,0,1,1|2,0,0]=4 1573 B18R3.36602 c1cc2cscc2cc1SCC3=NCCN3 62a_100000737910_200010760811 [0,0,0,0,1,1|1,0,0]=3 1574 B18R3.36602 c1cc2csnc2cc1SCC3=NCCN3 62a_100000737910_100010170880 [0,0,0,0,1,1|2,0,0]=4 1575 B18R3.36602 c1cc2nc(ccc2[nH]1)SCC3=NCCN3 62a_100000737910_100000087148 [0,0,0,0,1,1|2,0,0]=4 1576 B18R3.36602 c1cc2nc(ccc2o1)SCC3=NCCN3 62a_100000737910_100009851292 [0,0,0,0,1,1|2,0,0]=4 1577 B18R3.36602 c1cc2nc(ccc2s1)SCC3=NCCN3 62a_100000737910_100012000956 [0,0,0,0,1,1|2,0,0]=4 1578 B18R3.36602 c1cc2ncc(cc2[nH]1)SCC3=NCCN3 62a_100000737910_100009818992 [0,0,0,0,1,1|2,0,0]=4 1579 B18R3.36602 c1cc2oncc2cc1NCC3=NCCN3 34a_100000037595_100000737910 [0,0,0,0,1,1|2,0,0]=4 1580 B18R3.36602 c1cc2oncc2cc1SCC3=NCCN3 62a_100000737910_100009817723 [0,0,0,0,1,1|2,0,0]=4 1581 B18R3.36602 c1cc2sncc2cc1NCC3=NCCN3 34a_100000077742_100000737910 [0,0,0,0,1,1|2,0,0]=4 1582 B18R3.36602 c1cn2cc(ccc2n1)SCC3=NCCN3 62a_100000737910_100000746083 [0,0,0,0,1,1|2,0,0]=4 1583 B18R3.36602 c1cn2cc(ccc2n1)SCC3=NCCN3 62a_100000746083_100000737910 [0,0,0,0,1,1|2,0,0]=4 1584 B18R3.36602 c1cn2ccc(cc2n1)OCC3=NCCN3 34a_100009863278_100000737910 [0,0,0,0,1,1|2,0,0]=4 1585 B18R3.36602 c1cn2ccc(cc2n1)SCC3=NCCN3 62a_100000737910_100000087792 [0,0,0,0,1,1|2,0,0]=4 1586 B18R3.36602 c1nc2cc(ccc2[nH]1)SCC3=NCCN3 62a_100000737910_100011265325 [0,0,0,0,1,1|2,0,0]=4 1587 B18R3.36602 c1nc2cc(ccc2o1)NCC3=NCCN3 34a_100011219863_100000737910 [0,0,0,0,1,1|2,0,0]=4 1588 B18R3.36602 c1nc2cc(ccc2o1)SCC3=NCCN3 62a_100000737910_100009816175 [0,0,0,0,1,1|2,0,0]=4 1589 B18R3.36602 c1nc2cc(ccc2s1)NCC3=NCCN3 34a_100000047738_100000737910 [0,0,0,0,1,1|2,0,0]=4 1590 B18R3.36602 c1nc2cc(ccc2s1)OCC3=NCCN3 34a_200009850626_100000737910 [0,0,0,0,1,1|2,0,0]=4 1591 B18R3.36602 c1nc2cc(ccc2s1)OCC3=NCCN3 7a_200009850626_100000737910 [0,0,0,0,1,1|2,0,0]=4 1592 B18R3.36602 c1nc2cc(ccc2s1)SCC3=NCCN3 62a_100000737910_100010005895 [0,0,0,0,1,1|2,0,0]=4 1593 B18R3.36602 c1nc2ccc(cc2o1)NCC3=NCCN3 34a_100011248239_100000737910 [0,0,0,0,1,1|2,0,0]=4 1594 B18R3.36602 c1nc2ccc(cc2o1)SCC3=NCCN3 62a_100000737910_100009817590 [0,0,0,0,1,1|2,0,0]=4 1595 B18R3.36602 c1nc2ccc(cc2s1)NCC3=NCCN3 34a_100011215093_100000737910 [0,0,0,0,1,1|2,0,0]=4 1596 B18R3.36602 c1nc2ccc(cc2s1)OCC3=NCCN3 34a_100011995850_100000737910 [0,0,0,0,1,1|2,0,0]=4 1597 B18R3.36602 c1nc2ccc(cc2s1)OCC3=NCCN3 7a_100011995850_100000737910 [0,0,0,0,1,1|2,0,0]=4 1598 B18R3.36602 c1nc2ccc(cc2s1)SCC3=NCCN3 62a_100000737910_100009816678 [0,0,0,0,1,1|2,0,0]=4 1599 B18R3.36602 c1nc2ccc(cc2s1)SCC3=NCCN3 62a_100009816678_100000737910 [0,0,0,0,1,1|2,0,0]=4 1600 B20R3.105088 c1cc2cc(ccc2cn1)CSCC3=NCCN3 62a_100000737910_100020605334 [0,0,0,0,0,2|1,0,0]=3 1601 B20R3.105088 c1cc2cc(ccc2cn1)CSCC3=NCCN3 62a_100020605334_100000737910 [0,0,0,0,0,2|1,0,0]=3 1602 B20R3.105088 c1ccc2cc(ccc2c1)CNCC3=NCCN3 34a_100000739491_100000737910 [0,0,0,0,0,2|0,0,0]=2 1603 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3ncc[nH]3 207a_100000739491_100000743867 [0,0,0,0,0,2|0,0,2]=4 1604 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3ncc[nH]3 207a_100000754540_100000211584 [0,0,0,0,0,2|0,0,2]=4 1605 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3ncc[nH]3 2230a_100000739491_100016991755 [0,0,0,0,0,2|0,0,2]=4 1606 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3ncc[nH]3 270004a_100000754540_100000211584 [0,0,0,0,0,2|0,0,2]=4 1607 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3ncc[nH]3 34a_100000739491_100016991755 [0,0,0,0,0,2|0,0,2]=4 1608 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3nnc[nH]3 2230a_200015183720_100011216711 [0,0,0,0,0,2|1,0,1]=4 1609 B20R3.105088 c1ccc2cc(ccc2c1)CNCc3nnn[nH]3 34a_100000739491_100000765167 [0,0,0,0,0,2|2,0,0]=4 1610 B20R3.105088 c1ccc2cc(ccc2c1)COCC3=NCCN3 34a_100011215330_100000737910 [0,0,0,0,0,2|0,0,0]=2 1611 B20R3.105088 c1ccc2cc(ccc2c1)COCC3=NCCN3 7a_100011215330_100000737910 [0,0,0,0,0,2|0,0,0]=2 1612 B20R3.105088 c1ccc2cc(ccc2c1)COC[C@H]3CCCN3 34a_100000745186_100011216711 [0,0,0,0,0,2|1,0,1]=4 1613 B20R3.105088 c1ccc2cc(ccc2c1)COCc3ncc[nH]3 34a_100011215330_100016991755 [0,0,0,0,0,2|0,0,2]=4 1614 B20R3.105088 c1ccc2cc(ccc2c1)COCc3ncc[nH]3 7a_100011215330_100000753453 [0,0,0,0,0,2|0,0,2]=4 1615 B20R3.105088 c1ccc2cc(ccc2c1)COCc3nnn[nH]3 34a_100011215330_100000765167 [0,0,0,0,0,2|2,0,0]=4 1616 B20R3.105088 c1ccc2cc(ccc2c1)COCc3nnn[nH]3 7a_100011215330_100000765167 [0,0,0,0,0,2|2,0,0]=4 1617 B20R3.105088 c1ccc2cc(ccc2c1)CSCC3=NCCN3 62a_100000737910_100011216711 [0,0,0,0,0,2|0,0,0]=2 1618 B20R3.105088 c1ccc2cc(ccc2c1)CSCC3=NCCN3 62a_100011216711_100000737910 [0,0,0,0,0,2|0,0,0]=2 1619 B20R3.105088 c1ccc2cc(ccc2c1)CSCc3ncc[nH]3 62a_100011216711_100016991755 [0,0,0,0,0,2|0,0,2]=4 1620 B20R3.105088 c1ccc2cc(ccc2c1)CSCc3ncc[nH]3 62a_100016991755_100011216711 [0,0,0,0,0,2|0,0,2]=4 1621 B20R3.105088 c1ccc2cc(ccc2c1)CSCc3nnn[nH]3 62a_100000765167_100011216711 [0,0,0,0,0,2|2,0,0]=4 1622 B20R3.105088 c1ccc2cc(ccc2c1)CSCc3nnn[nH]3 62a_100011216711_100000765167 [0,0,0,0,0,2|2,0,0]=4 1623 B20R3.105088 c1ccc2cc(ccc2c1)NCCc3nnn[nH]3 7a_100000211940_100000031946 [0,0,0,0,0,2|2,0,0]=4 1624 B20R3.105088 c1ccc2cc(ccc2c1)OCCc3nnn[nH]3 7a_100000185828_100000031946 [0,0,0,0,0,2|2,0,0]=4 1625 B20R3.105088 c1ccc2cc(ccc2c1)SCCc3nnn[nH]3 62a_100000031946_100000233703 [0,0,0,0,0,2|2,0,0]=4 1626 B20R3.105088 c1ccc2cc(ncc2c1)CSCC3=NCCN3 62a_100000737910_100009869231 [0,0,0,0,0,2|1,0,0]=3 1627 B20R3.105088 c1ccc2cc(ncc2c1)CSCC3=NCCN3 62a_100009869231_100000737910 [0,0,0,0,0,2|1,0,0]=3 1628 B20R3.105088 c1ccc2nc(ccc2c1)CSCC3=NCCN3 62a_100000737579_100000737910 [0,0,0,0,0,2|1,0,0]=3 1629 B20R3.105088 c1ccc2nc(ccc2c1)CSCC3=NCCN3 62a_100000737910_100000737579 [0,0,0,0,0,2|1,0,0]=3 1630 B20R3.105088 c1ccc2nc(cnc2c1)CSCC3=NCCN3 62a_100000737910_200000751123 [0,0,0,0,0,2|2,0,0]=4 1631 B20R3.105088 c1ccc2nc(cnc2c1)CSCC3=NCCN3 62a_200000751123_100000737910 [0,0,0,0,0,2|2,0,0]=4 1632 B20R3.105088 c1ccc2nc(ncc2c1)CSCC3=NCCN3 62a_100000737910_100009868571 [0,0,0,0,0,2|2,0,0]=4 1633 B20R3.105088 c1ccc2nc(ncc2c1)CSCC3=NCCN3 62a_100009868571_100000737910 [0,0,0,0,0,2|2,0,0]=4 1634 B20R3.105088 c1ccc2ncc(cc2c1)CNCC3=NCCN3 34a_100000742225_100000737910 [0,0,0,0,0,2|1,0,0]=3 1635 B20R3.105088 c1ccc2ncc(cc2c1)COCC3=NCCN3 34a_100011258773_100000737910 [0,0,0,0,0,2|1,0,0]=3 1636 B20R3.105088 c1cnc2cc(ccc2n1)CSCC3=NCCN3 62a_100000737910_200011762199 [0,0,0,0,0,2|2,0,0]=4 1637 B20R3.105088 c1cnc2cc(ccc2n1)CSCC3=NCCN3 62a_200011762199_100000737910 [0,0,0,0,0,2|2,0,0]=4 1638 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3=NCCN3 34a_100000238500_100000737910 [0,0,0,0,0,2|1,0,0]=3 1639 B20R3.105088 c1cnc2ccc(cc2c1)COCC3=NCCN3 34a_100011315636_100000737910 [0,0,0,0,0,2|1,0,0]=3 1640 B20R3.105088 c1cnc2ccc(cc2c1)CSCC3=NCCN3 62a_100000703657_100000737910 [0,0,0,0,0,2|1,0,0]=3 1641 B20R3.105088 c1cnc2ccc(cc2c1)CSCC3=NCCN3 62a_100000737910_100000703657 [0,0,0,0,0,2|1,0,0]=3