0 B18R3.6371 Cc1oc2ccccc2c1C=C3CCCC3 271570a_100010378317_200010236113 [0,0,0,0,0,0|2,1,1]=4 1 B18R3.6371 Cc1oc2ccccc2c1Sc3ncc[nH]3 62a_100025796157_200010236113 [0,0,0,0,0,0|1,1,2]=4 2 B18R3.6371 Cc1sc2ccccc2c1C=C3CCCC3 271570a_100010378317_100010002616 [0,0,0,0,0,0|2,0,1]=3 3 B18R3.6371 Cc1sc2ccccc2c1CN3CCCC3 270004a_100000188435_100000066825 [0,0,0,0,0,0|3,0,0]=3 4 B18R3.6371 Cc1sc2ccccc2c1CN3CCSC3 270004a_100011215254_100000066825 [0,0,0,0,0,0|4,0,0]=4 5 B18R3.6371 Cc1sc2ccccc2c1SC3CCCC3 62a_100010002616_100000179811 [0,0,0,0,0,0|3,0,1]=4 6 B18R3.6371 Cc1sc2ccccc2c1SC3CCCC3 62a_100011217020_100010002616 [0,0,0,0,0,0|3,0,1]=4 7 B18R3.6371 Cc1sc2ccccc2c1Sc3c[nH]cn3 62a_100000756875_100010002616 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.6371 Cc1sc2ccccc2c1Sc3c[nH]cn3 62a_100010002616_100000756875 [0,0,0,0,0,0|3,0,1]=4 9 B18R3.6371 Cc1sc2ccccc2c1Sc3c[nH]nn3 62a_100009819707_100010002616 [0,0,0,0,0,0|4,0,0]=4 10 B18R3.6371 Cc1sc2ccccc2c1Sc3c[nH]nn3 62a_100010002616_100009819707 [0,0,0,0,0,0|4,0,0]=4 11 B18R3.6371 Cc1sc2ccccc2c1Sc3cc[nH]n3 62a_100000062575_100010002616 [0,0,0,0,0,0|3,0,1]=4 12 B18R3.6371 Cc1sc2ccccc2c1Sc3cc[nH]n3 62a_100010002616_100000062575 [0,0,0,0,0,0|3,0,1]=4 13 B18R3.6371 Cc1sc2ccccc2c1Sc3ccon3 62a_100009818083_100010002616 [0,0,0,0,0,0|3,0,1]=4 14 B18R3.6371 Cc1sc2ccccc2c1Sc3ccon3 62a_100010002616_100009818083 [0,0,0,0,0,0|3,0,1]=4 15 B18R3.6371 Cc1sc2ccccc2c1Sc3ccsn3 62a_100009818082_100010002616 [0,0,0,0,0,0|3,0,1]=4 16 B18R3.6371 Cc1sc2ccccc2c1Sc3ccsn3 62a_100010002616_100009818082 [0,0,0,0,0,0|3,0,1]=4 17 B18R3.6371 Cc1sc2ccccc2c1Sc3cscn3 62a_100000751502_100010002616 [0,0,0,0,0,0|3,0,1]=4 18 B18R3.6371 Cc1sc2ccccc2c1Sc3cscn3 62a_100010002616_100000751502 [0,0,0,0,0,0|3,0,1]=4 19 B18R3.6371 Cc1sc2ccccc2c1Sc3nc[nH]n3 62a_100000761765_100010002616 [0,0,0,0,0,0|2,0,2]=4 20 B18R3.6371 Cc1sc2ccccc2c1Sc3nc[nH]n3 62a_100010002616_100000761765 [0,0,0,0,0,0|2,0,2]=4 21 B18R3.6371 Cc1sc2ccccc2c1Sc3ncc[nH]3 62a_100010002616_100025796157 [0,0,0,0,0,0|1,0,2]=3 22 B18R3.6371 Cc1sc2ccccc2c1Sc3ncc[nH]3 62a_100025796157_100010002616 [0,0,0,0,0,0|1,0,2]=3 23 B18R3.6371 Cc1sc2ccccc2c1Sc3ncco3 62a_100010002616_100011787736 [0,0,0,0,0,0|2,0,2]=4 24 B18R3.6371 Cc1sc2ccccc2c1Sc3ncco3 62a_100011787736_100010002616 [0,0,0,0,0,0|2,0,2]=4 25 B18R3.6371 Cc1sc2ccccc2c1Sc3nccs3 62a_100000211983_100010002616 [0,0,0,0,0,0|2,0,2]=4 26 B18R3.6371 Cc1sc2ccccc2c1Sc3nccs3 62a_100010002616_100000211983 [0,0,0,0,0,0|2,0,2]=4 27 B18R3.6371 Cc1sc2ccccc2c1Sc3ncns3 62a_100000693119_100010002616 [0,0,0,0,0,0|3,0,1]=4 28 B18R3.6371 Cc1sc2ccccc2c1Sc3ncns3 62a_100010002616_100000693119 [0,0,0,0,0,0|3,0,1]=4 29 B18R3.6371 Cc1sc2ccccc2c1Sc3nncs3 62a_100000739804_100010002616 [0,0,0,0,0,0|3,0,1]=4 30 B18R3.6371 Cc1sc2ccccc2c1Sc3nncs3 62a_100010002616_100000739804 [0,0,0,0,0,0|3,0,1]=4 31 B17R3.2681 C(=C1CCCC1)c2csc3c2cccc3 271570a_100010378317_100009813928 [1,0,0,0,0,0|2,0,1]=4 32 B17R3.2681 c1ccc2c(csc2c1)CN3CCCC3 2230a_100000188435_200000742921 [1,0,0,0,0,0|3,0,0]=4 33 B17R3.2681 c1ccc2c(csc2c1)CN3CCCC3 269982a_100000188435_200000742921 [1,0,0,0,0,0|3,0,0]=4 34 B17R3.2681 c1ccc2c(csc2c1)CN3CCCC3 270004a_100000188435_100000239721 [1,0,0,0,0,0|3,0,0]=4 35 B17R3.2681 c1ccc2c(csc2c1)Sc3ncc[nH]3 62a_100025796157_100009813928 [1,0,0,0,0,0|1,0,2]=4 36 B19R3.15229 CCc1sc2ccccc2c1CN3CCCC3 270004a_100000188435_100010627023 [0,1,0,0,0,0|3,0,0]=4 37 B19R3.51664 Cc1c[nH]c(n1)Sc2c(sc3c2cccc3)C 62a_100010002616_100161115468 [0,1,0,0,0,0|1,0,2]=4 38 B19R3.51664 Cc1c[nH]c(n1)Sc2c(sc3c2cccc3)C 62a_100161115468_100010002616 [0,1,0,0,0,0|1,0,2]=4 39 B19R3.51664 Cc1sc2ccccc2c1CN3CCC(C3)O 270004a_100011215560_100000066825 [0,1,0,0,0,0|3,0,0]=4 40 B19R3.51664 Cc1sc2ccccc2c1CN3CC[C@@H](C3)F 270004a_100015203821_100000066825 [0,1,0,0,0,0|3,0,0]=4 41 B19R3.51664 Cc1sc2ccccc2c1CN3CC[C@H](C3)C 270004a_100016987628_100000066825 [0,1,0,0,0,0|3,0,0]=4 42 B19R3.158863 Cc1sc2ccccc2c1CN3CCC[C@@H]3C 270004a_100020605311_100000066825 [0,1,0,0,0,0|3,0,0]=4 43 B19R3.158863 Cc1sc2ccccc2c1CN3CCC[C@H]3C 270004a_100015189458_100000066825 [0,1,0,0,0,0|3,0,0]=4 44 B19R3.158863 Cc1sc2ccccc2c1Sc3nccn3C 62a_100000707724_100010002616 [0,1,0,0,0,0|1,0,2]=4 45 B19R3.158863 Cc1sc2ccccc2c1Sc3nccn3C 62a_100010002616_100000707724 [0,1,0,0,0,0|1,0,2]=4 46 B19R3.158863 Cc1sc2ccccc2c1Sc3ncnn3C 62a_100000732653_100010002616 [0,1,0,0,0,0|2,0,1]=4 47 B19R3.158863 Cc1sc2ccccc2c1Sc3ncnn3C 62a_100010002616_100000732653 [0,1,0,0,0,0|2,0,1]=4 48 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 34a_200000189419_100000737910 [0,0,1,0,0,0|2,0,0]=3 49 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 7a_200000189419_100000737910 [0,0,1,0,0,0|2,0,0]=3 50 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [0,0,1,0,0,0|2,0,1]=4 51 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 34a_100000211836_100000737910 [0,0,1,0,0,0|2,0,1]=4 52 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 7a_100000211836_100000737910 [0,0,1,0,0,0|2,0,1]=4 53 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100000737910_100009828059 [0,0,1,0,0,0|2,0,1]=4 54 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100009828059_100000737910 [0,0,1,0,0,0|2,0,1]=4 55 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 34a_100000737634_100000737910 [0,0,1,0,0,0|2,0,1]=4 56 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 7a_100000737634_100000737910 [0,0,1,0,0,0|2,0,1]=4 57 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 34a_100011217252_100000737910 [0,0,1,0,0,0|2,0,1]=4 58 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 7a_100011217252_100000737910 [0,0,1,0,0,0|2,0,1]=4 59 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 34a_103624766699_100000737910 [0,0,1,0,0,0|2,0,1]=4 60 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 7a_103624766699_100000737910 [0,0,1,0,0,0|2,0,1]=4 61 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_100000737910_114873767003 [0,0,1,0,0,0|2,0,1]=4 62 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_114873767003_100000737910 [0,0,1,0,0,0|2,0,1]=4 63 B17R2.4343 CCOc1ccccc1NCC2=NCCN2 34a_100000211218_100000737910 [0,0,1,0,0,0|1,1,1]=4 64 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 34a_100000211404_100000737910 [0,0,1,0,0,0|1,1,1]=4 65 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 7a_100000211404_100000737910 [0,0,1,0,0,0|1,1,1]=4 66 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000230754_100000737910 [0,0,1,0,0,0|1,1,1]=4 67 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000230754 [0,0,1,0,0,0|1,1,1]=4 68 B17R2.4343 CCSc1ccccc1NCC2=NCCN2 34a_100011223125_100000737910 [0,0,1,0,0,0|1,0,1]=3 69 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000230856_100000737910 [0,0,1,0,0,0|1,0,1]=3 70 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000737910_100000230856 [0,0,1,0,0,0|1,0,1]=3 71 B17R2.4343 CNCc1ccccc1OCC2=NCCN2 34a_100015189988_100000737910 [0,0,1,0,0,0|3,0,0]=4 72 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000184654_100000737910 [0,0,1,0,0,0|3,0,0]=4 73 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000737910_100000184654 [0,0,1,0,0,0|3,0,0]=4 74 B17R2.4343 COCc1ccccc1OCC2=NCCN2 34a_100011488565_100000737910 [0,0,1,0,0,0|3,0,0]=4 75 B17R2.4343 COCc1ccccc1OCC2=NCCN2 7a_100011488565_100000737910 [0,0,1,0,0,0|3,0,0]=4 76 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100000737910_100011493684 [0,0,1,0,0,0|3,0,0]=4 77 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100011493684_100000737910 [0,0,1,0,0,0|3,0,0]=4 78 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000148299_100000737910 [0,0,1,0,0,0|3,0,0]=4 79 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000737910_100000148299 [0,0,1,0,0,0|3,0,0]=4 80 B17R2.4343 O=CNc1ccccc1SCC2=NCCN2 62a_100000737910_200020615051 [0,0,1,0,0,0|3,0,0]=4 81 B17R2.4343 O=CNc1ccccc1SCC2=NCCN2 62a_200020615051_100000737910 [0,0,1,0,0,0|3,0,0]=4 82 B17R2.8341 CC(Cc1ccccc1)OCC2=NCCN2 34a_100000748627_100000737910 [0,0,1,0,0,0|2,0,1]=4 83 B17R2.8341 CC(Cc1ccccc1)OCC2=NCCN2 7a_100000748627_100000737910 [0,0,1,0,0,0|2,0,1]=4 84 B17R2.8341 CC(Cc1ccccc1)SCC2=NCCN2 62a_100000737910_200011218536 [0,0,1,0,0,0|2,0,1]=4 85 B17R2.8341 CC(Cc1ccccc1)SCC2=NCCN2 62a_200011218536_100000737910 [0,0,1,0,0,0|2,0,1]=4 86 B17R2.19036 CCCCC=Cc1c(sc2c1cccc2)C 271570a_100016275911_100010002616 [0,0,1,0,0,0|2,0,1]=4 87 B17R2.19036 CCCCNCc1c(sc2c1cccc2)C 207a_100000102301_100000066825 [0,0,1,0,0,0|3,0,0]=4 88 B17R2.19036 CCCCNCc1c(sc2c1cccc2)C 270004a_100000102301_100000066825 [0,0,1,0,0,0|3,0,0]=4 89 B17R2.19036 CCCNN=Cc1c(sc2c1cccc2)C 4a_100000740057_100000066825 [0,0,1,0,0,0|2,0,1]=4 90 B17R2.19036 Cc1sc2ccccc2c1C=NNCCO 4a_100000210001_100000066825 [0,0,1,0,0,0|2,0,1]=4 91 B17R2.19036 Cc1sc2ccccc2c1CNCCCF 207a_100015189416_100000066825 [0,0,1,0,0,0|3,0,0]=4 92 B17R2.19036 Cc1sc2ccccc2c1CNCCCF 270004a_100015189416_100000066825 [0,0,1,0,0,0|3,0,0]=4 93 B17R2.19036 Cc1sc2ccccc2c1CNCCCO 207a_100000182051_100000066825 [0,0,1,0,0,0|3,0,0]=4 94 B17R2.19036 Cc1sc2ccccc2c1CNCCCO 270004a_100000182051_100000066825 [0,0,1,0,0,0|3,0,0]=4 95 B17R2.21294 CC(C)N(CC1=NCCN1)c2ccccc2 269982a_100000210572_100000737910 [0,0,1,0,0,0|2,0,1]=4 96 B17R2.21294 CC(C)N(CC1=NCCN1)c2ccccc2 34a_100000210572_100000737910 [0,0,1,0,0,0|2,0,1]=4 97 B17R2.21294 CC(C)N(CC1=NCCN1)c2ccccc2 7a_100000210572_100000737910 [0,0,1,0,0,0|2,0,1]=4 98 B17R2.43630 CCN(CC)Cc1c(sc2c1cccc2)C 270004a_100000724800_100000066825 [0,0,1,0,0,0|3,0,0]=4 99 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2Br 269982a_114873767003_100000737910 [0,0,1,0,0,0|2,0,1]=4 100 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2Br 34a_114873767003_100000737910 [0,0,1,0,0,0|2,0,1]=4 101 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2C 269982a_100000211084_100000737910 [0,0,1,0,0,0|2,0,1]=4 102 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2C 34a_100000211084_100000737910 [0,0,1,0,0,0|2,0,1]=4 103 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2F 269982a_100000220365_100000737910 [0,0,1,0,0,0|2,0,1]=4 104 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2F 34a_100000220365_100000737910 [0,0,1,0,0,0|2,0,1]=4 105 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2O 269982a_103624766699_100000737910 [0,0,1,0,0,0|1,1,1]=4 106 B17R2.49529 CCCC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_100000210303 [0,0,1,0,0,0|3,0,0]=4 107 B17R2.49529 CCCN(C)Cc1c(sc2c1cccc2)C 270004a_100000747261_100000066825 [0,0,1,0,0,0|3,0,0]=4 108 B17R2.49529 CCNC(=O)Cc1c([nH]c2c1cccc2)C 11a_100015525214_100000737320 [0,0,1,0,0,0|2,0,0]=3 109 B17R2.49529 CCNC(=O)Cc1c([nH]c2c1cccc2)C 240690a_100015525214_100000737320 [0,0,1,0,0,0|2,0,0]=3 110 B17R2.49529 CCNC(=O)Cc1c([nH]c2c1cccc2)C 527a_100015525214_100000737320 [0,0,1,0,0,0|2,0,0]=3 111 B17R2.49529 CCNC(=O)Cn1c(=O)sc2c1cccc2 11a_100015525214_100000019295 [0,0,1,0,0,0|3,0,0]=4 112 B17R2.49529 CCNC(=O)Cn1c(=O)sc2c1cccc2 240690a_100015525214_100000019295 [0,0,1,0,0,0|3,0,0]=4 113 B17R2.49529 CCNC(=O)Cn1c(=O)sc2c1cccc2 527a_100015525214_100000019295 [0,0,1,0,0,0|3,0,0]=4 114 B17R2.49529 CCNC(=O)Cn1c(cc2c1cccc2)C 11a_100015525214_100000209841 [0,0,1,0,0,0|3,0,0]=4 115 B17R2.49529 CCNC(=O)Cn1c(cc2c1cccc2)C 240690a_100015525214_100000209841 [0,0,1,0,0,0|3,0,0]=4 116 B17R2.49529 CCNC(=O)Cn1c(cc2c1cccc2)C 527a_100015525214_100000209841 [0,0,1,0,0,0|3,0,0]=4 117 B17R2.49529 CCNC(=O)Cn1c(nc2c1cccc2)C 11a_100015525214_100000766443 [0,0,1,0,0,0|3,0,0]=4 118 B17R2.49529 CCNC(=O)Cn1c(nc2c1cccc2)C 240690a_100015525214_100000766443 [0,0,1,0,0,0|3,0,0]=4 119 B17R2.49529 CCNC(=O)Cn1c(nc2c1cccc2)C 527a_100015525214_100000766443 [0,0,1,0,0,0|3,0,0]=4 120 B17R2.49529 CNNC(=O)Cc1c([nH]c2c1cccc2)C 22a_100016993582_100000737320 [0,0,1,0,0,0|3,0,0]=4 121 B17R3.109 Cc1oc2ccccc2c1C3=CCCC3 271570a_100000089523_200010236113 [0,0,0,0,1,0|2,1,0]=4 122 B17R3.109 Cc1oc2ccccc2c1c3ncc[nH]3 271570a_100016988920_200010236113 [0,0,0,0,1,0|0,1,2]=4 123 B17R3.109 Cc1sc2ccccc2c1C3=CCCC3 271570a_100000089523_100010002616 [0,0,0,0,1,0|2,0,0]=3 124 B17R3.109 Cc1sc2ccccc2c1C3=CCOC3 271570a_100009872500_100010002616 [0,0,0,0,1,0|3,0,0]=4 125 B17R3.109 Cc1sc2ccccc2c1C3=COCC3 271570a_100000118173_100010002616 [0,0,0,0,1,0|3,0,0]=4 126 B17R3.109 Cc1sc2ccccc2c1c3cc[nH]n3 271570a_100000062414_100010002616 [0,0,0,0,1,0|2,0,1]=4 127 B17R3.109 Cc1sc2ccccc2c1c3ncc[nH]3 271570a_100016988920_100010002616 [0,0,0,0,1,0|0,0,2]=3 128 B17R3.4666 Cc1sc2ccccc2c1SC3CCC3 62a_100010002616_100000749161 [0,0,0,0,1,0|2,0,1]=4 129 B19R3.288 Cc1sc2ccccc2c1CN3CCCOC3 270004a_100000131196_100000066825 [0,0,0,0,0,1|3,0,0]=4 130 B19R3.288 Cc1sc2ccccc2c1CN3CCOCC3 270004a_100015191051_100000066825 [0,0,0,0,0,1|3,0,0]=4 131 B19R3.288 Cc1sc2ccccc2c1CN3CCSCC3 270004a_100000737611_100000066825 [0,0,0,0,0,1|3,0,0]=4 132 B19R3.8943 Cc1[nH]c2ncccc2c1SCC3=NCCN3 62a_100000737910_100010174266 [0,0,0,0,0,1|2,0,0]=3 133 B19R3.8943 Cc1nc2ccccn2c1SCC3=NCCN3 62a_100000737910_100000762796 [0,0,0,0,0,1|2,0,0]=3 134 B19R3.8943 Cc1nc2ccccn2c1SCC3=NCCN3 62a_100000762796_100000737910 [0,0,0,0,0,1|2,0,0]=3 135 B19R3.8943 Cc1nc2cccnn2c1SCC3=NCCN3 62a_100000737910_200010336598 [0,0,0,0,0,1|3,0,0]=4 136 B19R3.8943 Cc1nn2cccnc2c1SCC3=NCCN3 62a_100000737910_100010221215 [0,0,0,0,0,1|3,0,0]=4 137 B19R3.8943 Cc1nn2cccnc2c1SCC3=NCCN3 62a_100010221215_100000737910 [0,0,0,0,0,1|3,0,0]=4 138 B19R3.8943 Cc1oc2ccccc2c1SCC3=NCCN3 62a_100000737910_200010236113 [0,0,0,0,0,1|0,1,0]=2 139 B19R3.8943 Cc1oc2ccccc2c1SCc3ncc[nH]3 62a_100016991755_200010236113 [0,0,0,0,0,1|0,1,2]=4 140 B19R3.8943 Cc1oc2ccccc2c1SCc3nnn[nH]3 62a_100000765167_200010236113 [0,0,0,0,0,1|2,1,0]=4 141 B19R3.8943 Cc1sc2ccccc2c1CNC3CCCC3 207a_100000211070_100000066825 [0,0,0,0,0,1|2,0,1]=4 142 B19R3.8943 Cc1sc2ccccc2c1CNC3CCCC3 270004a_100000211070_100000066825 [0,0,0,0,0,1|2,0,1]=4 143 B19R3.8943 Cc1sc2ccccc2c1SCC3=NCCN3 62a_100000737910_100010002616 [0,0,0,0,0,1|0,0,0]=1 144 B19R3.8943 Cc1sc2ccccc2c1SCC3=NCCN3 62a_100010002616_100000737910 [0,0,0,0,0,1|0,0,0]=1 145 B19R3.8943 Cc1sc2ccccc2c1SCC3CCCC3 62a_100000740388_100010002616 [0,0,0,0,0,1|2,0,1]=4 146 B19R3.8943 Cc1sc2ccccc2c1SCC3CCCC3 62a_100010002616_100000740388 [0,0,0,0,0,1|2,0,1]=4 147 B19R3.8943 Cc1sc2ccccc2c1SCC3CCCO3 62a_100000203698_100010002616 [0,0,0,0,0,1|2,0,1]=4 148 B19R3.8943 Cc1sc2ccccc2c1SCC3CCCO3 62a_100010002616_100000203698 [0,0,0,0,0,1|2,0,1]=4 149 B19R3.8943 Cc1sc2ccccc2c1SCC3OCCO3 62a_100000755774_100010002616 [0,0,0,0,0,1|2,0,1]=4 150 B19R3.8943 Cc1sc2ccccc2c1SCC3OCCO3 62a_100010002616_100000755774 [0,0,0,0,0,1|2,0,1]=4 151 B19R3.8943 Cc1sc2ccccc2c1SCc3c[nH]cn3 62a_100000707719_100010002616 [0,0,0,0,0,1|2,0,1]=4 152 B19R3.8943 Cc1sc2ccccc2c1SCc3c[nH]cn3 62a_100010002616_100000707719 [0,0,0,0,0,1|2,0,1]=4 153 B19R3.8943 Cc1sc2ccccc2c1SCc3ccn[nH]3 62a_100000728653_100010002616 [0,0,0,0,0,1|2,0,1]=4 154 B19R3.8943 Cc1sc2ccccc2c1SCc3ccn[nH]3 62a_100010002616_100000728653 [0,0,0,0,0,1|2,0,1]=4 155 B19R3.8943 Cc1sc2ccccc2c1SCc3ccon3 62a_100000234950_100010002616 [0,0,0,0,0,1|2,0,1]=4 156 B19R3.8943 Cc1sc2ccccc2c1SCc3ccon3 62a_100010002616_100000234950 [0,0,0,0,0,1|2,0,1]=4 157 B19R3.8943 Cc1sc2ccccc2c1SCc3cscn3 62a_100000205941_100010002616 [0,0,0,0,0,1|2,0,1]=4 158 B19R3.8943 Cc1sc2ccccc2c1SCc3cscn3 62a_100010002616_100000205941 [0,0,0,0,0,1|2,0,1]=4 159 B19R3.8943 Cc1sc2ccccc2c1SCc3ncc[nH]3 62a_100010002616_100016991755 [0,0,0,0,0,1|0,0,2]=3 160 B19R3.8943 Cc1sc2ccccc2c1SCc3ncc[nH]3 62a_100016991755_100010002616 [0,0,0,0,0,1|0,0,2]=3 161 B19R3.8943 Cc1sc2ccccc2c1SCc3ncco3 62a_100010002616_103436540062 [0,0,0,0,0,1|1,0,2]=4 162 B19R3.8943 Cc1sc2ccccc2c1SCc3ncco3 62a_103436540062_100010002616 [0,0,0,0,0,1|1,0,2]=4 163 B19R3.8943 Cc1sc2ccccc2c1SCc3nccs3 62a_100010002616_100015184050 [0,0,0,0,0,1|1,0,2]=4 164 B19R3.8943 Cc1sc2ccccc2c1SCc3nccs3 62a_100015184050_100010002616 [0,0,0,0,0,1|1,0,2]=4 165 B19R3.8943 Cc1sc2ccccc2c1SCc3ncon3 62a_100000233494_100010002616 [0,0,0,0,0,1|1,0,2]=4 166 B19R3.8943 Cc1sc2ccccc2c1SCc3ncon3 62a_100010002616_100000233494 [0,0,0,0,0,1|1,0,2]=4 167 B19R3.8943 Cc1sc2ccccc2c1SCc3nnn[nH]3 62a_100000765167_100010002616 [0,0,0,0,0,1|2,0,0]=3 168 B19R3.8943 Cc1sc2ccccc2c1SCc3nnn[nH]3 62a_100010002616_100000765167 [0,0,0,0,0,1|2,0,0]=3 169 B19R3.8943 Cn1nc2ccccc2c1SCC3=NCCN3 62a_100000737910_100010163699 [0,0,0,0,0,1|2,0,0]=3 170 B19R3.8943 Cn1nc2ccccc2c1SCC3=NCCN3 62a_100010163699_100000737910 [0,0,0,0,0,1|2,0,0]=3 171 B19R3.8943 O=C1Nc2ccccc2C1SCC3=NCCN3 62a_100000737910_200009996675 [0,0,0,0,0,1|2,0,1]=4 172 B16R2.1480 C=Cc1ccccc1NCC2=NCCN2 34a_100012022501_100000737910 [1,0,1,0,0,0|1,0,1]=4 173 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011218376 [1,0,1,0,0,0|1,0,1]=4 174 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100011218376_100000737910 [1,0,1,0,0,0|1,0,1]=4 175 B16R2.1480 CCc1ccccc1NCC2=NCCN2 34a_100000212081_100000737910 [1,0,1,0,0,0|1,0,1]=4 176 B16R2.1480 CCc1ccccc1NCC2=NCCN2 7a_100000212081_100000737910 [1,0,1,0,0,0|1,0,1]=4 177 B16R2.1480 CCc1ccccc1OCC2=NCCN2 34a_100000210936_100000737910 [1,0,1,0,0,0|1,0,1]=4 178 B16R2.1480 CCc1ccccc1OCC2=NCCN2 7a_100000210936_100000737910 [1,0,1,0,0,0|1,0,1]=4 179 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100000737910_100011215823 [1,0,1,0,0,0|1,0,1]=4 180 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100011215823_100000737910 [1,0,1,0,0,0|1,0,1]=4 181 B16R2.1480 CNc1ccccc1OCC2=NCCN2 34a_100000033821_100000737910 [1,0,1,0,0,0|2,0,0]=4 182 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100000737910_100020606079 [1,0,1,0,0,0|2,0,0]=4 183 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100020606079_100000737910 [1,0,1,0,0,0|2,0,0]=4 184 B16R2.1480 COc1ccccc1NCC2=NCCN2 34a_100000210025_100000737910 [1,0,1,0,0,0|1,1,0]=4 185 B16R2.1480 COc1ccccc1OCC2=NCCN2 34a_100000210385_100000737910 [1,0,1,0,0,0|1,1,0]=4 186 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000210334_100000737910 [1,0,1,0,0,0|1,1,0]=4 187 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000737910_100000210334 [1,0,1,0,0,0|1,1,0]=4 188 B16R2.1480 CSc1ccccc1NCC2=NCCN2 34a_100000211160_100000737910 [1,0,1,0,0,0|1,0,0]=3 189 B16R2.1480 CSc1ccccc1OCC2=NCCN2 34a_100011216402_100000737910 [1,0,1,0,0,0|1,0,0]=3 190 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100000737910_100011217816 [1,0,1,0,0,0|1,0,0]=3 191 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100011217816_100000737910 [1,0,1,0,0,0|1,0,0]=3 192 B16R2.1480 CSc1ncccc1SCC2=NCCN2 62a_100000737910_100011465278 [1,0,1,0,0,0|2,0,0]=4 193 B16R2.1480 CSc1ncccc1SCC2=NCCN2 62a_100011465278_100000737910 [1,0,1,0,0,0|2,0,0]=4 194 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000210073_100000737910 [1,0,1,0,0,0|2,0,0]=4 195 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210073 [1,0,1,0,0,0|2,0,0]=4 196 B16R2.2257 c1ccc(cc1)SCSCC2=NCCN2 62a_100000737910_100011218342 [1,0,1,0,0,0|1,0,1]=4 197 B16R2.2257 c1ccc(cc1)SCSCC2=NCCN2 62a_100011218342_100000737910 [1,0,1,0,0,0|1,0,1]=4 198 B16R2.6 NCCCOCc1csc2c1cccc2 34a_100000182051_200000742921 [1,0,1,0,0,0|2,0,0]=4 199 B16R2.6335 C=CCNCc1c(sc2c1cccc2)C 270004a_100020586998_100000066825 [1,0,1,0,0,0|1,0,1]=4 200 B16R2.6335 CCCC=Cc1c(sc2c1cccc2)C 271570a_100016258520_100010002616 [1,0,1,0,0,0|1,0,1]=4 201 B16R2.6335 CCCNCc1c(sc2c1cccc2)C 207a_100020643023_100000066825 [1,0,1,0,0,0|1,0,0]=3 202 B16R2.6335 CCCNCc1c(sc2c1cccc2)C 270004a_100020643023_100000066825 [1,0,1,0,0,0|1,0,0]=3 203 B16R2.6335 CCNN=Cc1c(sc2c1cccc2)C 4a_100000756455_100000066825 [1,0,1,0,0,0|1,0,1]=4 204 B16R2.6335 CCOC=Cc1c(sc2c1cccc2)C 271570a_100016256518_100010002616 [1,0,1,0,0,0|1,0,1]=4 205 B16R2.6335 Cc1sc2ccccc2c1CNCCO 207a_100000210304_100000066825 [1,0,1,0,0,0|1,0,0]=3 206 B16R2.6335 Cc1sc2ccccc2c1CNCCO 270004a_100000210304_100000066825 [1,0,1,0,0,0|1,0,0]=3 207 B16R2.685 CCN(CC1=NCCN1)c2ccccc2 269982a_100000210013_100000737910 [1,0,1,0,0,0|1,0,1]=4 208 B16R2.685 CCN(CC1=NCCN1)c2ccccc2 34a_100000210013_100000737910 [1,0,1,0,0,0|1,0,1]=4 209 B16R2.33562 CCC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_100000210202 [1,0,1,0,0,0|2,0,0]=4 210 B16R2.33562 CNC(=O)Cc1c([nH]c2c1cccc2)C 11a_106832991635_100000737320 [1,0,1,0,0,0|2,0,0]=4 211 B16R2.33562 CNC(=O)Cc1c([nH]c2c1cccc2)C 240690a_100102657272_100000737320 [1,0,1,0,0,0|2,0,0]=4 212 B16R2.33562 CNC(=O)Cc1c([nH]c2c1cccc2)C 527a_100102657272_100000737320 [1,0,1,0,0,0|2,0,0]=4 213 B16R2.2965 CN(CC1=NCCN1)c2ccccc2Br 269982a_100020606079_100000737910 [1,0,1,0,0,0|2,0,0]=4 214 B16R2.2965 CN(CC1=NCCN1)c2ccccc2Br 34a_100020606079_100000737910 [1,0,1,0,0,0|2,0,0]=4 215 B16R2.2965 CN(CC1=NCCN1)c2ccccc2Cl 269982a_100000219374_100000737910 [1,0,1,0,0,0|2,0,0]=4 216 B16R2.2965 CN(CC1=NCCN1)c2ccccc2Cl 34a_100000219374_100000737910 [1,0,1,0,0,0|2,0,0]=4 217 B16R2.2965 CN(CC1=NCCN1)c2ccccc2F 269982a_100000220357_100000737910 [1,0,1,0,0,0|2,0,0]=4 218 B16R2.2965 CN(CC1=NCCN1)c2ccccc2F 34a_100000220357_100000737910 [1,0,1,0,0,0|2,0,0]=4 219 B16R2.2965 CN(CC1=NCCN1)c2ccccc2F 38a_100000220357_100000737910 [1,0,1,0,0,0|2,0,0]=4 220 B16R2.2965 CN(CC1=NCCN1)c2ccccc2O 269982a_100000033821_100000737910 [1,0,1,0,0,0|1,1,0]=4 221 B16R2.2965 Cc1ccccc1N(C)CC2=NCCN2 269982a_100000219699_100000737910 [1,0,1,0,0,0|2,0,0]=4 222 B16R2.2965 Cc1ccccc1N(C)CC2=NCCN2 34a_100000219699_100000737910 [1,0,1,0,0,0|2,0,0]=4 223 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000211992_200000742921 [1,0,1,0,0,0|2,0,0]=4 224 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210303 [1,0,1,0,0,0|2,0,0]=4 225 B16R2.5 CCNC(=O)C[n+]1csc2c1cccc2 11a_100015525214_100009813389 [1,0,1,0,0,0|2,0,0]=4 226 B16R2.5 CCNC(=O)C[n+]1csc2c1cccc2 240690a_100015525214_100009813389 [1,0,1,0,0,0|2,0,0]=4 227 B16R2.5 CCNC(=O)C[n+]1csc2c1cccc2 527a_100015525214_100009813389 [1,0,1,0,0,0|2,0,0]=4 228 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 11a_100015525214_100000183835 [1,0,1,0,0,0|2,0,0]=4 229 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 240690a_100015525214_100000183835 [1,0,1,0,0,0|2,0,0]=4 230 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 527a_100015525214_100000183835 [1,0,1,0,0,0|2,0,0]=4 231 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 11a_100015525214_100000217546 [1,0,1,0,0,0|1,1,0]=4 232 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 240690a_100015525214_100000217546 [1,0,1,0,0,0|1,1,0]=4 233 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 527a_100015525214_100000217546 [1,0,1,0,0,0|1,1,0]=4 234 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 11a_100015525214_100000741031 [1,0,1,0,0,0|1,0,0]=3 235 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 240690a_100015525214_100000741031 [1,0,1,0,0,0|1,0,0]=3 236 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 527a_100015525214_100000741031 [1,0,1,0,0,0|1,0,0]=3 237 B16R2.5 CNNC(=O)Cc1csc2c1cccc2 22a_100016993582_100000741031 [1,0,1,0,0,0|2,0,0]=4 238 B18R2.8560 C=CCSc1ccccc1NCC2=NCCN2 7a_100000198565_100000737910 [0,1,1,0,0,0|1,0,1]=4 239 B18R2.8560 CCCSc1ccccc1NCC2=NCCN2 34a_100015184514_100000737910 [0,1,1,0,0,0|1,0,1]=4 240 B18R2.8560 CCCSc1ccccc1NCC2=NCCN2 7a_100015184514_100000737910 [0,1,1,0,0,0|1,0,1]=4 241 B18R2.8560 CCSCc1ccccc1SCC2=NCCN2 62a_100000737910_200000173030 [0,1,1,0,0,0|1,0,1]=4 242 B18R2.8560 CCSCc1ccccc1SCC2=NCCN2 62a_200000173030_100000737910 [0,1,1,0,0,0|1,0,1]=4 243 B18R2.8560 OCCSc1ccccc1SCC2=NCCN2 62a_100000737910_200000230852 [0,1,1,0,0,0|1,0,1]=4 244 B18R2.8560 OCCSc1ccccc1SCC2=NCCN2 62a_200000230852_100000737910 [0,1,1,0,0,0|1,0,1]=4 245 B18R2.9915 CC(=O)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011350739 [0,1,1,0,0,0|2,0,0]=4 246 B18R2.9915 CC(=O)Cc1ccccc1SCC2=NCCN2 62a_100011350739_100000737910 [0,1,1,0,0,0|2,0,0]=4 247 B18R2.9915 CC(=O)Nc1ccccc1NCC2=NCCN2 34a_100011193560_100000737910 [0,1,1,0,0,0|2,0,0]=4 248 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 34a_100000185124_100000737910 [0,1,1,0,0,0|2,0,0]=4 249 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 7a_100000185124_100000737910 [0,1,1,0,0,0|2,0,0]=4 250 B18R2.9915 CC(=O)Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000153524 [0,1,1,0,0,0|2,0,0]=4 251 B18R2.9915 CC(=O)Oc1ccccc1SCC2=NCCN2 62a_100000051690_100000737910 [0,1,1,0,0,0|1,1,0]=4 252 B18R2.9915 CC(=O)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000051690 [0,1,1,0,0,0|1,1,0]=4 253 B18R2.9915 CC(C)Sc1ccccc1NCC2=NCCN2 34a_100000688217_100000737910 [0,1,1,0,0,0|1,0,1]=4 254 B18R2.30633 CCSc1ccc(cc1NCC2=NCCN2)Cl 34a_100000752208_100000737910 [0,1,1,0,0,0|1,0,1]=4 255 B18R2.123266 CCCNC(=O)Cc1c([nH]c2c1cccc2)C 11a_100020643023_100000737320 [0,1,1,0,0,0|2,0,0]=4 256 B18R2.123266 CCCNC(=O)Cc1c([nH]c2c1cccc2)C 240690a_100020643023_100000737320 [0,1,1,0,0,0|2,0,0]=4 257 B18R2.123266 CCCNC(=O)Cc1c([nH]c2c1cccc2)C 527a_100020643023_100000737320 [0,1,1,0,0,0|2,0,0]=4 258 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCF 11a_100000724931_100000737320 [0,1,1,0,0,0|2,0,0]=4 259 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCF 240690a_100000724931_100000737320 [0,1,1,0,0,0|2,0,0]=4 260 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCF 527a_100000724931_100000737320 [0,1,1,0,0,0|2,0,0]=4 261 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCO 240690a_100000210304_100000737320 [0,1,1,0,0,0|2,0,0]=4 262 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCO 527a_100000210304_100000737320 [0,1,1,0,0,0|2,0,0]=4 263 B18R2.61976 Cc1[nH]c2ccccc2c1CC(=O)NC(C)C 11a_100138425928_100000737320 [0,1,1,0,0,0|2,0,0]=4 264 B18R2.61976 Cc1[nH]c2ccccc2c1CC(=O)NC(C)C 240690a_100138425928_100000737320 [0,1,1,0,0,0|2,0,0]=4 265 B18R2.61976 Cc1[nH]c2ccccc2c1CC(=O)NC(C)C 527a_100138425928_100000737320 [0,1,1,0,0,0|2,0,0]=4 266 B18R2.125811 CCN(C)C(=O)Cc1c([nH]c2c1cccc2)C 11a_100000225621_100000737320 [0,1,1,0,0,0|2,0,0]=4 267 B18R2.125811 CCN(C)C(=O)Cc1c([nH]c2c1cccc2)C 240690a_100000225621_100000737320 [0,1,1,0,0,0|2,0,0]=4 268 B18R2.125811 CCN(C)C(=O)Cc1c([nH]c2c1cccc2)C 527a_100000225621_100000737320 [0,1,1,0,0,0|2,0,0]=4 269 B18R2.1626896 CCNC(=O)CC1=C(Cc2c1cc(cc2)F)C 11a_100015525214_100000066454 [0,1,1,0,0,0|2,0,0]=4 270 B18R2.1626896 CCNC(=O)CC1=C(Cc2c1cc(cc2)F)C 240690a_100015525214_100000066454 [0,1,1,0,0,0|2,0,0]=4 271 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)Br)C 11a_100015525214_100000738758 [0,1,1,0,0,0|2,0,0]=4 272 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)Br)C 240690a_100015525214_100000738758 [0,1,1,0,0,0|2,0,0]=4 273 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)Br)C 527a_100015525214_100000738758 [0,1,1,0,0,0|2,0,0]=4 274 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)Cl)C 11a_100015525214_100016600606 [0,1,1,0,0,0|2,0,0]=4 275 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)Cl)C 240690a_100015525214_100016600606 [0,1,1,0,0,0|2,0,0]=4 276 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)Cl)C 527a_100015525214_100016600606 [0,1,1,0,0,0|2,0,0]=4 277 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)F)C 11a_100015525214_100000044558 [0,1,1,0,0,0|2,0,0]=4 278 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)F)C 240690a_100015525214_100000044558 [0,1,1,0,0,0|2,0,0]=4 279 B18R2.1626896 CCNC(=O)Cc1c([nH]c2c1cc(cc2)F)C 527a_100015525214_100000044558 [0,1,1,0,0,0|2,0,0]=4 280 B18R3.105565 Cc1sc2ccccc2c1CN3CC(C3)C 270004a_100000702820_100000066825 [0,1,0,0,1,0|2,0,0]=4 281 B18R3.105565 Cc1sc2ccccc2c1CN3CC(C3)F 270004a_100000690557_100000066825 [0,1,0,0,1,0|2,0,0]=4 282 B20R3.261674 Cc1sc2ccccc2c1SCc3nccn3C 62a_100000700302_100010002616 [0,1,0,0,0,1|0,0,2]=4 283 B20R3.261674 Cc1sc2ccccc2c1SCc3nccn3C 62a_100010002616_100000700302 [0,1,0,0,0,1|0,0,2]=4 284 B20R3.2743232 Cc1sc2ccccc2c1SCc3n[nH]c(=O)[nH]3 62a_100010002616_100000754189 [0,1,0,0,0,1|1,0,1]=4 285 B18R3.12721 c1cc(c2sccc2c1)SCC3=NCCN3 62a_100000737910_100000766737 [0,0,1,1,0,0|1,0,1]=4 286 B18R3.12721 c1cc(c2scnc2c1)NCC3=NCCN3 34a_100000099145_100000737910 [0,0,1,1,0,0|2,0,0]=4 287 B18R3.12721 c1cc(c2scnc2c1)SCC3=NCCN3 62a_100000737910_100010246326 [0,0,1,1,0,0|2,0,0]=4 288 B18R3.12728 c1ccc2sc(cc2c1)SCC3=NCCN3 62a_100000737910_100009816949 [0,0,1,1,0,0|1,0,1]=4 289 B18R3.12728 c1ccc2sc(nc2c1)SCC3=NCCN3 62a_100000737910_100000751744 [0,0,1,1,0,0|2,0,0]=4 290 B16R2.524 CN(CC1=NCCN1)Cc2ccccc2 269982a_100000186898_100000737910 [0,0,1,0,1,0|2,0,0]=4 291 B16R2.5767 CC(SCC1=NCCN1)c2ccccc2 62a_100000230085_100000737910 [0,0,1,0,1,0|1,0,1]=4 292 B16R2.5767 CC(SCC1=NCCN1)c2ccccc2 62a_100000737910_100000230085 [0,0,1,0,1,0|1,0,1]=4 293 B16R2.5767 C[C@@H](OCC1=NCCN1)c2ccccc2 34a_100000761318_100000737910 [0,0,1,0,1,0|1,0,1]=4 294 B16R2.5767 C[C@@H](OCC1=NCCN1)c2ccccc2 7a_100000761318_100000737910 [0,0,1,0,1,0|1,0,1]=4 295 B16R3.8 C1=C(CCC1)c2csc3c2cccc3 271570a_100000089523_100009813928 [1,0,0,0,1,0|2,0,0]=4 296 B16R3.8 c1ccc2c(csc2c1)c3ncc[nH]3 271570a_100000038073_100025796157 [1,0,0,0,1,0|0,0,2]=4 297 B16R3.8 c1ccc2c(csc2c1)c3ncc[nH]3 271570a_100016988920_100009813928 [1,0,0,0,1,0|0,0,2]=4 298 B16R3.1813 c1ccc2c(csc2c1)CN3CCC3 269982a_100000754969_200000742921 [1,0,0,0,1,0|2,0,0]=4 299 B16R3.3519 Cc1sc2ccccc2c1SC3CC3 62a_100010002616_100000211595 [0,0,0,0,2,0|1,0,1]=4 300 B18R2.72602 C/C(=C\c1ccccc1)/COCC2=NCCN2 34a_200025717232_100000737910 [0,0,1,0,0,1|1,0,1]=4 301 B18R2.72602 C/C(=C\c1ccccc1)/COCC2=NCCN2 7a_200025717232_100000737910 [0,0,1,0,0,1|1,0,1]=4 302 B18R2.12689 C=C(C)C(OCC1=NCCN1)c2ccccc2 34a_200011216824_100000737910 [0,0,1,0,0,1|1,0,1]=4 303 B18R2.12689 C=C(C)C(OCC1=NCCN1)c2ccccc2 7a_200011216824_100000737910 [0,0,1,0,0,1|1,0,1]=4 304 B18R2.12689 CC(=O)C(SCC1=NCCN1)c2ccccc2 62a_100000737910_100009888967 [0,0,1,0,0,1|0,1,1]=4 305 B18R2.12689 CC(=O)C(SCC1=NCCN1)c2ccccc2 62a_100009888967_100000737910 [0,0,1,0,0,1|0,1,1]=4 306 B18R3.3347 c1cc2[nH]cc(c2cn1)SCC3=NCCN3 62a_100000737910_100000753697 [1,0,0,0,0,1|2,0,0]=4 307 B18R3.3347 c1cc2c(c[nH]c2cn1)SCC3=NCCN3 62a_100000737910_100010232032 [1,0,0,0,0,1|2,0,0]=4 308 B18R3.3347 c1cc2c(csc2cn1)SCC3=NCCN3 62a_100000737910_100009817111 [1,0,0,0,0,1|1,0,0]=3 309 B18R3.3347 c1cc2c(csc2cn1)SCC3=NCCN3 62a_100009817111_100000737910 [1,0,0,0,0,1|1,0,0]=3 310 B18R3.3347 c1cc2scc(c2cn1)SCC3=NCCN3 62a_100000737910_100010247091 [1,0,0,0,0,1|1,0,0]=3 311 B18R3.3347 c1cc2scc(c2cn1)SCC3=NCCN3 62a_100010247091_100000737910 [1,0,0,0,0,1|1,0,0]=3 312 B18R3.3347 c1ccc2c(coc2c1)SCC3=NCCN3 62a_100000737910_100009812202 [1,0,0,0,0,1|0,1,0]=3 313 B18R3.3347 c1ccc2c(csc2c1)CSc3ncc[nH]3 62a_100025796157_200000742921 [1,0,0,0,0,1|0,0,2]=4 314 B18R3.3347 c1ccc2c(csc2c1)CSc3ncc[nH]3 62a_200000742921_100025796157 [1,0,0,0,0,1|0,0,2]=4 315 B18R3.3347 c1ccc2c(csc2c1)OCC3=NCCN3 34a_100000077758_100000737910 [1,0,0,0,0,1|0,0,0]=2 316 B18R3.3347 c1ccc2c(csc2c1)OCC3=NCCN3 7a_100000077758_100000737910 [1,0,0,0,0,1|0,0,0]=2 317 B18R3.3347 c1ccc2c(csc2c1)OCc3ncc[nH]3 34a_100000077758_100016991755 [1,0,0,0,0,1|0,0,2]=4 318 B18R3.3347 c1ccc2c(csc2c1)OCc3ncc[nH]3 7a_100000077758_100000753453 [1,0,0,0,0,1|0,0,2]=4 319 B18R3.3347 c1ccc2c(csc2c1)OCc3nnn[nH]3 34a_100000077758_100000765167 [1,0,0,0,0,1|2,0,0]=4 320 B18R3.3347 c1ccc2c(csc2c1)OCc3nnn[nH]3 7a_100000077758_100000765167 [1,0,0,0,0,1|2,0,0]=4 321 B18R3.3347 c1ccc2c(csc2c1)SCC3=NCCN3 62a_100000737910_100009813928 [1,0,0,0,0,1|0,0,0]=2 322 B18R3.3347 c1ccc2c(csc2c1)SCc3ncc[nH]3 62a_100016991755_100009813928 [1,0,0,0,0,1|0,0,2]=4 323 B18R3.3347 c1ccc2c(csc2c1)SCc3nnn[nH]3 62a_100000765167_100009813928 [1,0,0,0,0,1|2,0,0]=4 324 B18R3.3347 c1ccc2c(n[nH]c2c1)SCC3=NCCN3 62a_100000737910_100000050141 [1,0,0,0,0,1|2,0,0]=4 325 B18R3.3347 c1ccc2c(noc2c1)SCC3=NCCN3 62a_100000737910_200000703156 [1,0,0,0,0,1|1,1,0]=4 326 B18R3.3347 c1ccc2c(noc2c1)SCC3=NCCN3 62a_200000703156_100000737910 [1,0,0,0,0,1|1,1,0]=4 327 B18R3.3347 c1ccn2c(cnc2c1)SCC3=NCCN3 62a_100000737910_100011219245 [1,0,0,0,0,1|2,0,0]=4 328 B18R3.3347 c1ccn2ncc(c2c1)SCC3=NCCN3 62a_100000737910_100009817726 [1,0,0,0,0,1|2,0,0]=4 329 B18R3.3347 c1cnc2[nH]cc(c2c1)SCC3=NCCN3 62a_100000737910_100011934613 [1,0,0,0,0,1|2,0,0]=4 330 B18R3.3347 c1cnc2c(c[nH]c2c1)SCC3=NCCN3 62a_100000737910_100009817151 [1,0,0,0,0,1|2,0,0]=4 331 B18R3.3347 c1cnc2c(coc2c1)SCC3=NCCN3 62a_100000737910_100009889148 [1,0,0,0,0,1|1,1,0]=4 332 B18R3.3347 c1cnc2c(csc2c1)SCC3=NCCN3 62a_100000737910_100010247092 [1,0,0,0,0,1|1,0,0]=3 333 B18R3.3347 c1cnc2c(csc2n1)SCC3=NCCN3 62a_100000737910_100010174841 [1,0,0,0,0,1|2,0,0]=4 334 B18R3.3347 c1cnc2scc(c2c1)SCC3=NCCN3 62a_100000737910_100009830249 [1,0,0,0,0,1|1,0,0]=3 335 B18R3.3347 c1cnc2scc(c2c1)SCC3=NCCN3 62a_100009830249_100000737910 [1,0,0,0,0,1|1,0,0]=3 336 B20R3.12812 Brc1cc2ccccc2cc1NCC3=NCCN3 34a_100009991566_100000737910 [0,0,0,0,0,2|2,0,0]=4 337 B20R3.12812 Brc1cc2ccccc2cc1NCC3=NCCN3 7a_100009991566_100000737910 [0,0,0,0,0,2|2,0,0]=4 338 B20R3.12812 Brc1cc2ccccc2cc1OCC3=NCCN3 34a_100009817189_100000737910 [0,0,0,0,0,2|2,0,0]=4 339 B20R3.12812 Brc1cc2ccccc2cc1OCC3=NCCN3 7a_100009817189_100000737910 [0,0,0,0,0,2|2,0,0]=4 340 B20R3.12812 Brc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_200010169544 [0,0,0,0,0,2|2,0,0]=4 341 B20R3.12812 Brc1cc2ccccc2cc1SCC3=NCCN3 62a_200010169544_100000737910 [0,0,0,0,0,2|2,0,0]=4 342 B20R3.12812 Brc1cc2ccccc2nc1SCC3=NCCN3 62a_100000737910_100010072790 [0,0,0,0,0,2|2,0,0]=4 343 B20R3.12812 Brc1cc2ccccc2nc1SCC3=NCCN3 62a_100010072790_100000737910 [0,0,0,0,0,2|2,0,0]=4 344 B20R3.12812 Cc1cc2ccccc2cc1OCC3=NCCN3 34a_100000091601_100000737910 [0,0,0,0,0,2|1,0,0]=3 345 B20R3.12812 Cc1cc2ccccc2cc1OCC3=NCCN3 7a_100000091601_100000737910 [0,0,0,0,0,2|1,0,0]=3 346 B20R3.12812 Cc1cc2ccccc2nc1SCC3=NCCN3 62a_100000737910_100000751756 [0,0,0,0,0,2|1,0,0]=3 347 B20R3.12812 Cc1cc2cccnc2nc1SCC3=NCCN3 62a_100000737910_100009877248 [0,0,0,0,0,2|2,0,0]=4 348 B20R3.12812 Cc1cc2ncccc2cc1SCC3=NCCN3 62a_100000737910_100010137429 [0,0,0,0,0,2|2,0,0]=4 349 B20R3.12812 Cc1cc2ncccc2cc1SCC3=NCCN3 62a_100010137429_100000737910 [0,0,0,0,0,2|2,0,0]=4 350 B20R3.12812 Cc1nc2ccccc2cc1OCC3=NCCN3 34a_200000079175_100000737910 [0,0,0,0,0,2|1,0,0]=3 351 B20R3.12812 Cc1nc2ccccc2cc1OCC3=NCCN3 7a_200000079175_100000737910 [0,0,0,0,0,2|1,0,0]=3 352 B20R3.12812 Cc1nc2ccccc2nc1SCC3=NCCN3 62a_100000737910_100000185947 [0,0,0,0,0,2|1,0,0]=3 353 B20R3.12812 Cc1nc2ccccc2nc1SCC3=NCCN3 62a_100000757254_100000737910 [0,0,0,0,0,2|1,0,0]=3 354 B20R3.12812 Clc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100010152806 [0,0,0,0,0,2|2,0,0]=4 355 B20R3.12812 Clc1cc2ccccc2cc1SCC3=NCCN3 62a_100010152806_100000737910 [0,0,0,0,0,2|2,0,0]=4 356 B20R3.12812 Clc1nc2ccccc2cc1OCC3=NCCN3 34a_200000100762_100000737910 [0,0,0,0,0,2|2,0,0]=4 357 B20R3.12812 Clc1nc2ccccc2cc1OCC3=NCCN3 7a_200000100762_100000737910 [0,0,0,0,0,2|2,0,0]=4 358 B20R3.12812 Clc1nc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100010220712 [0,0,0,0,0,2|2,0,0]=4 359 B20R3.12812 Fc1nc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100011158909 [0,0,0,0,0,2|2,0,0]=4 360 B20R3.12812 Fc1nc2ccccc2cc1SCC3=NCCN3 62a_100011158909_100000737910 [0,0,0,0,0,2|2,0,0]=4 361 B20R3.12812 Nc1cc2ccccc2cc1OCC3=NCCN3 34a_106744474703_100000737910 [0,0,0,0,0,2|2,0,0]=4 362 B20R3.12812 Nc1cc2ccccc2cc1OCC3=NCCN3 7a_106744474703_100000737910 [0,0,0,0,0,2|2,0,0]=4 363 B20R3.12812 Nc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100009991566 [0,0,0,0,0,2|2,0,0]=4 364 B20R3.12812 Nc1cc2ccccc2cc1SCC3=NCCN3 62a_100009991566_100000737910 [0,0,0,0,0,2|2,0,0]=4 365 B20R3.12812 Nc1nc2ccccc2cc1SCC3=NCCN3 62a_100010135404_100000737910 [0,0,0,0,0,2|2,0,0]=4 366 B20R3.12812 O=c1oc2ccccc2cc1OCC3=NCCN3 7a_100000061252_100000737910 [0,0,0,0,0,2|1,1,0]=4 367 B20R3.12812 O=c1oc2ccccc2cc1SCC3=NCCN3 62a_100000737910_200000187772 [0,0,0,0,0,2|1,1,0]=4 368 B20R3.12812 Oc1cc2ccccc2cc1SCC3=NCCN3 62a_100000737910_100009817189 [0,0,0,0,0,2|2,0,0]=4 369 B20R3.12812 Oc1cc2ccccc2nc1SCC3=NCCN3 62a_100000737910_200000100762 [0,0,0,0,0,2|2,0,0]=4 370 B20R3.12812 Oc1nc2ccccc2cc1SCC3=NCCN3 62a_100000737910_200009820883 [0,0,0,0,0,2|2,0,0]=4 371 B20R3.12887 Brc1cc(c2ccccc2c1)NCC3=NCCN3 34a_100010171453_100000737910 [0,0,0,0,0,2|2,0,0]=4 372 B20R3.12887 Brc1cc(c2ccccc2c1)OCC3=NCCN3 34a_100010089979_100000737910 [0,0,0,0,0,2|2,0,0]=4 373 B20R3.12887 Brc1cc(c2ccccc2c1)OCC3=NCCN3 7a_100010089979_100000737910 [0,0,0,0,0,2|2,0,0]=4 374 B20R3.12887 Cc1cc(c2ccccc2n1)OCC3=NCCN3 34a_100000698765_100000737910 [0,0,0,0,0,2|1,0,0]=3 375 B20R3.12887 Cc1cc(c2ccccc2n1)SCC3=NCCN3 62a_100000737910_100000735862 [0,0,0,0,0,2|1,0,0]=3 376 B20R3.12887 Cc1cc(c2ccccc2n1)SCC3=NCCN3 62a_100000764982_100000737910 [0,0,0,0,0,2|1,0,0]=3 377 B20R3.12887 Cc1cc(c2cccnc2n1)SCC3=NCCN3 62a_100000737910_100009885123 [0,0,0,0,0,2|2,0,0]=4 378 B20R3.12887 Cc1cc(c2cccnc2n1)SCC3=NCCN3 62a_100009885123_100000737910 [0,0,0,0,0,2|2,0,0]=4 379 B20R3.12887 Cc1cc(c2ncccc2c1)OCC3=NCCN3 34a_100009888445_100000737910 [0,0,0,0,0,2|2,0,0]=4 380 B20R3.12887 Cc1cc(c2ncccc2c1)OCC3=NCCN3 7a_100009888445_100000737910 [0,0,0,0,0,2|2,0,0]=4 381 B20R3.12887 Cc1cc(c2ncccc2c1)SCC3=NCCN3 62a_100000737910_100010113427 [0,0,0,0,0,2|2,0,0]=4 382 B20R3.12887 Cc1cc2ccccc2c(n1)SCC3=NCCN3 62a_100000737910_100000698243 [0,0,0,0,0,2|1,0,0]=3 383 B20R3.12887 Cc1nc(c2ccccc2n1)SCC3=NCCN3 62a_100000230251_100000737910 [0,0,0,0,0,2|1,0,0]=3 384 B20R3.12887 Cc1nc(c2ccccc2n1)SCC3=NCCN3 62a_100000737910_100000230251 [0,0,0,0,0,2|1,0,0]=3 385 B20R3.12887 Nc1cc(c2ccccc2c1)SCC3=NCCN3 62a_100000737910_100010089974 [0,0,0,0,0,2|2,0,0]=4 386 B20R3.12887 Nc1cc(c2ccccc2c1)SCC3=NCCN3 62a_100010089974_100000737910 [0,0,0,0,0,2|2,0,0]=4 387 B20R3.12887 Nc1cc2ccccc2c(n1)SCC3=NCCN3 62a_100000737910_100009814382 [0,0,0,0,0,2|2,0,0]=4 388 B20R3.12887 Nc1cc2ccccc2c(n1)SCC3=NCCN3 62a_100009814382_100000737910 [0,0,0,0,0,2|2,0,0]=4 389 B20R3.12887 O=c1cc(c2ccccc2[nH]1)SCC3=NCCN3 62a_100000737910_100000075698 [0,0,0,0,0,2|2,0,0]=4 390 B20R3.12887 Oc1cc(c2ccccc2c1)SCC3=NCCN3 62a_100000737910_100010001680 [0,0,0,0,0,2|2,0,0]=4 391 B20R3.12920 Cc1sc2ccccc2c1CNCc3ncc[nH]3 207a_100000754540_100000066825 [0,0,0,0,0,2|0,0,2]=4 392 B20R3.12920 Cc1sc2ccccc2c1CNCc3ncc[nH]3 270004a_100000754540_100000066825 [0,0,0,0,0,2|0,0,2]=4 393 B20R3.12920 Cc1sc2ccccc2c1SCCc3nnn[nH]3 62a_100000031946_100010002616 [0,0,0,0,0,2|2,0,0]=4 394 B20R3.12920 Cc1sc2ccccc2c1SCCc3nnn[nH]3 62a_100010002616_100000031946 [0,0,0,0,0,2|2,0,0]=4 395 B20R3.12920 Cn1nc2ccccc2c1COCC3=NCCN3 34a_100000068557_100000737910 [0,0,0,0,0,2|2,0,0]=4 396 B20R3.14776 Brc1ccc2ccccc2c1NCC3=NCCN3 34a_100009817101_100000737910 [0,0,0,0,0,2|2,0,0]=4 397 B20R3.14776 Brc1ccc2ccccc2c1OCC3=NCCN3 34a_100009996032_100000737910 [0,0,0,0,0,2|2,0,0]=4 398 B20R3.14776 Brc1ccc2ccccc2c1OCC3=NCCN3 7a_100009996032_100000737910 [0,0,0,0,0,2|2,0,0]=4 399 B20R3.14776 Brc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100010090040 [0,0,0,0,0,2|2,0,0]=4 400 B20R3.14776 Brc1ccc2ccccc2c1SCC3=NCCN3 62a_100010090040_100000737910 [0,0,0,0,0,2|2,0,0]=4 401 B20R3.14776 Brc1cnc2ccccc2c1SCC3=NCCN3 62a_100000737910_200010179490 [0,0,0,0,0,2|2,0,0]=4 402 B20R3.14776 Brc1cnc2ccccc2c1SCC3=NCCN3 62a_200010179490_100000737910 [0,0,0,0,0,2|2,0,0]=4 403 B20R3.14776 Cc1ccc2ccccc2c1NCC3=NCCN3 34a_100000688109_100000737910 [0,0,0,0,0,2|1,0,0]=3 404 B20R3.14776 Cc1ccc2ccccc2c1OCC3=NCCN3 34a_100000039261_100000737910 [0,0,0,0,0,2|1,0,0]=3 405 B20R3.14776 Cc1ccc2ccccc2c1OCC3=NCCN3 7a_100000039261_100000737910 [0,0,0,0,0,2|1,0,0]=3 406 B20R3.14776 Cc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000759710 [0,0,0,0,0,2|1,0,0]=3 407 B20R3.14776 Cc1ccc2ccccc2c1SCC3=NCCN3 62a_100000759710_100000737910 [0,0,0,0,0,2|1,0,0]=3 408 B20R3.14776 Cc1ccc2cccnc2c1NCC3=NCCN3 34a_100000065890_100000737910 [0,0,0,0,0,2|2,0,0]=4 409 B20R3.14776 Cc1ccc2cnccc2c1SCC3=NCCN3 62a_100000737910_100010204589 [0,0,0,0,0,2|2,0,0]=4 410 B20R3.14776 Cc1ccc2cnccc2c1SCC3=NCCN3 62a_100010204589_100000737910 [0,0,0,0,0,2|2,0,0]=4 411 B20R3.14776 Cc1ccc2ncccc2c1NCC3=NCCN3 34a_100011933972_100000737910 [0,0,0,0,0,2|2,0,0]=4 412 B20R3.14776 Cc1cnc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000092342 [0,0,0,0,0,2|1,0,0]=3 413 B20R3.14776 Clc1ccc2ccccc2c1NCC3=NCCN3 34a_200009860907_100000737910 [0,0,0,0,0,2|2,0,0]=4 414 B20R3.14776 Nc1ccc2ccccc2c1OCC3=NCCN3 34a_100000007060_100000737910 [0,0,0,0,0,2|2,0,0]=4 415 B20R3.14776 Nc1ccc2ccccc2c1SCC3=NCCN3 62a_100000705303_100000737910 [0,0,0,0,0,2|2,0,0]=4 416 B20R3.14776 Nc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000705303 [0,0,0,0,0,2|2,0,0]=4 417 B20R3.14776 Nc1cnc2ccccc2c1SCC3=NCCN3 62a_100000737910_100012243074 [0,0,0,0,0,2|2,0,0]=4 418 B20R3.14776 Nc1cnc2ccccc2c1SCC3=NCCN3 62a_100009995561_100000737910 [0,0,0,0,0,2|2,0,0]=4 419 B20R3.14776 Nc1ncc2ccccc2c1SCC3=NCCN3 62a_100000737910_100009994184 [0,0,0,0,0,2|2,0,0]=4 420 B20R3.14776 Nc1ncc2ccccc2c1SCC3=NCCN3 62a_100009994184_100000737910 [0,0,0,0,0,2|2,0,0]=4 421 B20R3.14776 Oc1ccc2ccccc2c1NCC3=NCCN3 34a_100000007056_100000737910 [0,0,0,0,0,2|2,0,0]=4 422 B20R3.14776 Oc1ccc2ccccc2c1SCC3=NCCN3 62a_100000737910_100000183829 [0,0,0,0,0,2|2,0,0]=4