0 B18R3.2123 C1=C(CCCC1)c2ccc3nccnc3c2 271570a_100000062251_100011219451 [0,0,1,0,0,0|1,0,2]=4 1 B18R3.2123 C1=C(CCCO1)c2ccc3nccnc3c2 271570a_100010175576_100011219451 [0,0,1,0,0,0|1,0,2]=4 2 B18R3.2123 C1=CCN(CC1)c2ccc3nccnc3c2 27a_100000698166_100011219451 [0,0,1,0,0,0|2,0,1]=4 3 B18R3.2123 c1cnc2cc(ccc2n1)N3CCOCC3 27a_100015191051_100011219451 [0,0,1,0,0,0|3,0,0]=4 4 B18R3.2123 c1cnc2cc(ccc2n1)N3CCSCC3 27a_100000737611_100011219451 [0,0,1,0,0,0|3,0,0]=4 5 B19R3.3862 CC1CCN(CC1)c2ccc3nccnc3c2 27a_100000188429_100011219451 [0,1,1,0,0,0|2,0,0]=4 6 B19R3.3862 FC1CCN(CC1)c2ccc3nccnc3c2 27a_100015193889_100011219451 [0,1,1,0,0,0|2,0,0]=4 7 B19R3.3862 OC1CCN(CC1)c2ccc3nccnc3c2 27a_100025773856_100011219451 [0,1,1,0,0,0|2,0,0]=4 8 B19R3.3971 C[C@H]1CCCN(C1)c2ccc3nccnc3c2 27a_100000717927_100011219451 [0,1,1,0,0,0|2,0,0]=4 9 B19R3.3971 FC1CCCN(C1)c2ccc3nccnc3c2 27a_100000697950_100011219451 [0,1,1,0,0,0|2,0,0]=4 10 B19R3.3971 OC1CCCN(C1)c2ccc3nccnc3c2 27a_100000211013_100011219451 [0,1,1,0,0,0|2,0,0]=4 11 B19R3.5517 CC1CCCCN1c2ccc3nccnc3c2 27a_100000211376_100011219451 [0,1,1,0,0,0|2,0,0]=4 12 B17R2.2104 CC(NCCF)c1ccc2nccnc2c1 269862a_100000724931_100012000623 [0,0,2,0,0,0|2,0,0]=4 13 B17R2.2104 CC(NCCO)c1ccc2nccnc2c1 269862a_100000210304_100012000623 [0,0,2,0,0,0|2,0,0]=4 14 B17R2.2104 CCCCN(C)c1ccc2nccnc2c1 27a_100000207549_100011219451 [0,0,2,0,0,0|2,0,0]=4 15 B17R2.2104 CCCNC(C)c1ccc2nccnc2c1 269862a_100020643023_100012000623 [0,0,2,0,0,0|2,0,0]=4 16 B17R2.2104 CCNN=C(C)c1ccc2nccnc2c1 4a_100000756455_100012000623 [0,0,2,0,0,0|1,0,1]=4 17 B17R2.2104 CN(CCCO)c1ccc2nccnc2c1 27a_100000213112_100011219451 [0,0,2,0,0,0|2,0,0]=4 18 B17R2.3604 CCCN(CC)c1ccc2nccnc2c1 27a_100000226822_100011219451 [0,0,2,0,0,0|2,0,0]=4 19 B17R2.5879 CCCCCNc1ccc2nccnc2c1 27a_100000209983_100011219451 [0,0,2,0,0,0|2,0,0]=4 20 B17R2.5879 CCCCCNc1ccc2nccnc2c1 34a_100011219565_100000718602 [0,0,2,0,0,0|2,0,0]=4 21 B17R2.5879 CCCCCOc1ccc2nccnc2c1 34a_100000694412_100000718602 [0,0,2,0,0,0|2,0,0]=4 22 B17R2.5879 CCCCCSc1ccc2nccnc2c1 62a_100000210326_100011219451 [0,0,2,0,0,0|2,0,0]=4 23 B17R2.5879 CCCCCSc1ccc2nccnc2c1 62a_100011219451_100000210326 [0,0,2,0,0,0|2,0,0]=4 24 B17R2.5879 CCCCNCc1ccc2nccnc2c1 2230a_100000102301_200011762199 [0,0,2,0,0,0|2,0,0]=4 25 B17R2.5879 CCCCNCc1ccc2nccnc2c1 270004a_100000102301_100000239887 [0,0,2,0,0,0|2,0,0]=4 26 B17R2.5879 CCCCNCc1ccc2nccnc2c1 7a_106832991798_200011762199 [0,0,2,0,0,0|2,0,0]=4 27 B17R2.5879 CCCCOCc1ccc2nccnc2c1 7a_100000210227_200011762199 [0,0,2,0,0,0|2,0,0]=4 28 B17R2.5879 CCCCSCc1ccc2nccnc2c1 62a_100000210211_200011762199 [0,0,2,0,0,0|2,0,0]=4 29 B17R2.5879 CCCCSCc1ccc2nccnc2c1 62a_200011762199_100000210210 [0,0,2,0,0,0|2,0,0]=4 30 B17R2.5879 CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210303 [0,0,2,0,0,0|2,0,0]=4 31 B17R2.5879 CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210303 [0,0,2,0,0,0|2,0,0]=4 32 B17R2.5879 CCCNN=Cc1ccc2nccnc2c1 4a_100000740057_100000239887 [0,0,2,0,0,0|1,0,1]=4 33 B17R2.5879 COCCCNc1ccc2nccnc2c1 27a_100150723488_100011219451 [0,0,2,0,0,0|2,0,0]=4 34 B17R2.5879 COCCCNc1ccc2nccnc2c1 34a_100011219565_100000740836 [0,0,2,0,0,0|2,0,0]=4 35 B17R2.5879 COCCCOc1ccc2nccnc2c1 34a_100000694412_100000740836 [0,0,2,0,0,0|2,0,0]=4 36 B17R2.5879 COCCCSc1ccc2nccnc2c1 62a_100000709357_100011219451 [0,0,2,0,0,0|2,0,0]=4 37 B17R2.5879 COCCCSc1ccc2nccnc2c1 62a_100011219451_100000709357 [0,0,2,0,0,0|2,0,0]=4 38 B17R2.5879 COCCNCc1ccc2nccnc2c1 2230a_100000209980_200011762199 [0,0,2,0,0,0|2,0,0]=4 39 B17R2.5879 COCCNCc1ccc2nccnc2c1 270004a_100000209980_100000239887 [0,0,2,0,0,0|2,0,0]=4 40 B17R2.5879 COCCSCc1ccc2nccnc2c1 62a_100000233755_200011762199 [0,0,2,0,0,0|2,0,0]=4 41 B17R2.5879 COCCSCc1ccc2nccnc2c1 62a_200011762199_100000233755 [0,0,2,0,0,0|2,0,0]=4 42 B17R2.5879 CSCCCNc1ccc2nccnc2c1 27a_100000749238_100011219451 [0,0,2,0,0,0|2,0,0]=4 43 B17R2.5879 CSCCNCc1ccc2nccnc2c1 2230a_100020590264_200011762199 [0,0,2,0,0,0|2,0,0]=4 44 B17R2.5879 CSCCNCc1ccc2nccnc2c1 270004a_100020590264_100000239887 [0,0,2,0,0,0|2,0,0]=4 45 B17R2.5879 CSCCOCc1ccc2nccnc2c1 7a_100000230434_200011762199 [0,0,2,0,0,0|2,0,0]=4 46 B17R2.5879 CSCCSCc1ccc2nccnc2c1 62a_100000212216_200011762199 [0,0,2,0,0,0|2,0,0]=4 47 B17R2.5879 CSCCSCc1ccc2nccnc2c1 62a_200011762199_100000751147 [0,0,2,0,0,0|2,0,0]=4 48 B17R2.50008 CCCN(C)c1cc2nccnc2cc1C 27a_100000747261_100010080479 [0,0,2,0,0,0|2,0,0]=4 49 B19R4.1286900 c1cnc2cc(ccc2n1)N3CC4CC4C3 27a_100000741873_100011219451 [0,0,1,1,0,0|2,0,0]=4 50 B17R3.1917 C1=C(CCC1)c2ccc3nccnc3c2 271570a_100000089523_100011219451 [0,0,1,0,1,0|0,0,2]=4 51 B17R3.1917 c1cnc2cc(ccc2n1)N3CCCC3 27a_100000188435_100011219451 [0,0,1,0,1,0|1,0,0]=3 52 B17R3.1917 c1cnc2cc(ccc2n1)N3CCSC3 27a_100011215254_100011219451 [0,0,1,0,1,0|2,0,0]=4 53 B17R3.1917 c1cnc2cc(ncc2n1)N3CCCC3 27a_100000188435_100000070204 [0,0,1,0,1,0|2,0,0]=4 54 B17R3.1917 c1cnc2nc(ccc2n1)N3CCCC3 27a_100000188435_100012351543 [0,0,1,0,1,0|2,0,0]=4 55 B17R3.1917 c1cnc2ncc(cc2n1)N3CCCC3 27a_100000188435_100000753224 [0,0,1,0,1,0|2,0,0]=4 56 B19R3.19215 C1=CC(CCC1)Sc2ccc3nccnc3c2 62a_100000751183_100011219451 [0,0,1,0,0,1|1,0,1]=4 57 B19R3.19215 C1=CC(CCC1)Sc2ccc3nccnc3c2 62a_100011219451_100000751183 [0,0,1,0,0,1|1,0,1]=4 58 B19R3.19215 c1cnc2cc(ccc2c1)NC3CCCCC3 34a_100102887122_100000210327 [0,0,1,0,0,1|2,0,0]=4 59 B19R3.19215 c1cnc2cc(ccc2c1)NC3CCCOC3 34a_100102887122_100000693364 [0,0,1,0,0,1|2,0,0]=4 60 B19R3.19215 c1cnc2cc(ccc2c1)OC3CCCCC3 34a_100011216045_100000210327 [0,0,1,0,0,1|2,0,0]=4 61 B19R3.19215 c1cnc2cc(ccc2c1)OC3CCCOC3 34a_100011216045_100000693364 [0,0,1,0,0,1|2,0,0]=4 62 B19R3.19215 c1cnc2cc(ccc2c1)SC3CCCCC3 62a_100000210327_100009816655 [0,0,1,0,0,1|2,0,0]=4 63 B19R3.19215 c1cnc2cc(ccc2n1)CN3CCCOC3 2230a_100000131196_200011762199 [0,0,1,0,0,1|2,0,0]=4 64 B19R3.19215 c1cnc2cc(ccc2n1)CN3CCCOC3 270004a_100000131196_100000239887 [0,0,1,0,0,1|2,0,0]=4 65 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCCCC3 27a_100000182618_100011219451 [0,0,1,0,0,1|1,0,0]=3 66 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCCCC3 34a_100011219565_100000210327 [0,0,1,0,0,1|1,0,0]=3 67 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCCOC3 27a_100000719290_100011219451 [0,0,1,0,0,1|1,0,0]=3 68 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCCOC3 34a_100011219565_100000693364 [0,0,1,0,0,1|1,0,0]=3 69 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCOCC3 27a_100000741149_100011219451 [0,0,1,0,0,1|2,0,0]=4 70 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCSCC3 27a_100000748639_100011219451 [0,0,1,0,0,1|2,0,0]=4 71 B19R3.19215 c1cnc2cc(ccc2n1)NC3CCSCC3 34a_100011219565_100000069128 [0,0,1,0,0,1|2,0,0]=4 72 B19R3.19215 c1cnc2cc(ccc2n1)OC3CCCCC3 34a_100000694412_100000210327 [0,0,1,0,0,1|1,0,0]=3 73 B19R3.19215 c1cnc2cc(ccc2n1)OC3CCCOC3 34a_100000694412_100000693364 [0,0,1,0,0,1|1,0,0]=3 74 B19R3.19215 c1cnc2cc(ccc2n1)OC3CCSCC3 34a_100000694412_100000069128 [0,0,1,0,0,1|2,0,0]=4 75 B19R3.19215 c1cnc2cc(ccc2n1)SC3CCCCC3 62a_100000210327_100011219451 [0,0,1,0,0,1|1,0,0]=3 76 B19R3.19215 c1cnc2cc(ccc2n1)SC3CCCCC3 62a_100011219451_100000210327 [0,0,1,0,0,1|1,0,0]=3 77 B19R3.19215 c1cnc2cc(ccc2n1)SC3CCCOC3 62a_100011219451_100000693364 [0,0,1,0,0,1|1,0,0]=3 78 B19R3.19215 c1cnc2cc(ccc2n1)SC3CCOCC3 62a_100011219451_100011324220 [0,0,1,0,0,1|2,0,0]=4 79 B19R3.19215 c1cnc2cc(ccc2n1)SC3CCSCC3 62a_100011219451_100000069128 [0,0,1,0,0,1|2,0,0]=4 80 B19R3.19215 c1cnc2cc(ncc2n1)NC3CCCCC3 27a_100000182618_100000070204 [0,0,1,0,0,1|2,0,0]=4 81 B19R3.19215 c1cnc2cc(ncc2n1)NC3CCCOC3 27a_100000719290_100000070204 [0,0,1,0,0,1|2,0,0]=4 82 B19R3.19215 c1cnc2cc(ncc2n1)SC3CCCCC3 62a_100000210327_100010370699 [0,0,1,0,0,1|2,0,0]=4 83 B19R3.19215 c1cnc2cc(ncc2n1)SC3CCCCC3 62a_100010370699_100000210327 [0,0,1,0,0,1|2,0,0]=4 84 B19R3.19215 c1cnc2cc(ncc2n1)SC3CCCOC3 62a_100010370699_100000693364 [0,0,1,0,0,1|2,0,0]=4 85 B19R3.19215 c1cnc2ccc(cc2c1)NC3CCCCC3 34a_100011198106_100000210327 [0,0,1,0,0,1|2,0,0]=4 86 B19R3.19215 c1cnc2ccc(cc2c1)NC3CCCOC3 34a_100011198106_100000693364 [0,0,1,0,0,1|2,0,0]=4 87 B19R3.19215 c1cnc2ccc(cc2c1)OC3CCCCC3 34a_100011215586_100000210327 [0,0,1,0,0,1|2,0,0]=4 88 B19R3.19215 c1cnc2ccc(cc2c1)OC3CCCCC3 7a_100011215586_100000210327 [0,0,1,0,0,1|2,0,0]=4 89 B19R3.19215 c1cnc2ccc(cc2c1)OC3CCCOC3 34a_100011215586_100000693364 [0,0,1,0,0,1|2,0,0]=4 90 B19R3.19215 c1cnc2ccc(cc2c1)OC3CCCOC3 7a_100011215586_100000693364 [0,0,1,0,0,1|2,0,0]=4 91 B19R3.19215 c1cnc2ccc(cc2c1)SC3CCCCC3 62a_100000210327_100011215947 [0,0,1,0,0,1|2,0,0]=4 92 B19R3.19215 c1cnc2ccc(cc2c1)SC3CCCCC3 62a_100011215947_100000210327 [0,0,1,0,0,1|2,0,0]=4 93 B19R3.19215 c1cnc2ccc(cc2c1)SC3CCCOC3 62a_100011215947_100000693364 [0,0,1,0,0,1|2,0,0]=4 94 B19R3.19215 c1cnc2nc(ccc2n1)NC3CCCCC3 27a_100000182618_100012351543 [0,0,1,0,0,1|2,0,0]=4 95 B19R3.19215 c1cnc2nc(ccc2n1)NC3CCCOC3 27a_100000719290_100012351543 [0,0,1,0,0,1|2,0,0]=4 96 B19R3.19215 c1cnc2nc(ccc2n1)SC3CCCCC3 62a_100000210327_100012351543 [0,0,1,0,0,1|2,0,0]=4 97 B19R3.19215 c1cnc2nc(ccc2n1)SC3CCCCC3 62a_100012351543_100000210327 [0,0,1,0,0,1|2,0,0]=4 98 B19R3.19215 c1cnc2nc(ccc2n1)SC3CCCOC3 62a_100012351543_100000693364 [0,0,1,0,0,1|2,0,0]=4 99 B19R3.19215 c1cnc2ncc(cc2n1)NC3CCCCC3 27a_100000182618_100000753224 [0,0,1,0,0,1|2,0,0]=4 100 B19R3.19215 c1cnc2ncc(cc2n1)NC3CCCOC3 27a_100000719290_100000753224 [0,0,1,0,0,1|2,0,0]=4 101 B19R3.19215 c1cnc2ncc(cc2n1)SC3CCCCC3 62a_100000210327_100000753224 [0,0,1,0,0,1|2,0,0]=4 102 B19R3.19215 c1cnc2ncc(cc2n1)SC3CCCCC3 62a_100000753224_100000210327 [0,0,1,0,0,1|2,0,0]=4 103 B19R3.19215 c1cnc2ncc(cc2n1)SC3CCCOC3 62a_100000753224_100000693364 [0,0,1,0,0,1|2,0,0]=4 104 B19R3.324605 C1=C(CCCCC1)c2ccc3nccnc3c2 271570a_200009888920_100011219451 [0,0,1,0,0,1|1,0,1]=4 105 B19R3.324605 c1cnc2cc(ccc2n1)N3CCCCCC3 27a_100000185865_100011219451 [0,0,1,0,0,1|2,0,0]=4 106 B19R3.324605 c1cnc2cc(ccc2n1)N3CCCOCC3 27a_100000685342_100011219451 [0,0,1,0,0,1|2,0,0]=4