0 B12R2.315 CNc1ncnc2c1cc[nH]2 WXVL_AK00442LP0055 [0,1,0,0,0,0|2,0,0]=3 1 B12R2.315 CNc1ncnc2c1cc[nH]2 WXVL_AK00442LP0055 [0,1,0,0,0,0|2,0,0]=3 2 B12R2.315 CNc1ncnc2c1cco2 WXVL_AK00442LP0417 [0,1,0,0,0,0|3,0,0]=4 3 B12R2.315 CNc1ncnc2c1cco2 WXVL_AK00442LP0417 [0,1,0,0,0,0|3,0,0]=4 4 B12R2.315 CNc1ncnc2c1ccs2 WXVL_AK00442LP0097 [0,1,0,0,0,0|3,0,0]=4 5 B12R2.315 CNc1ncnc2c1ccs2 WXVL_AK00442LP0097 [0,1,0,0,0,0|3,0,0]=4 6 B12R2.315 CNc1ncnc2c1cn[nH]2 WXVL_AK00442PY0172 [0,1,0,0,0,0|1,0,0]=2 7 B12R2.315 CNc1ncnc2c1cn[nH]2 WXVL_AK00442PY0172 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.2 CNc1ncnc(c1Br)C WXVL_AK00442LQ2336 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.2 CNc1ncnc(c1Br)C WXVL_AK00442LQ2336 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.10 CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.10 CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,0,1,0,0,0|2,0,1]=4 12 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,0,1,0,0,0|1,0,1]=4 13 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,0,1,0,0,0|1,0,1]=4 14 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [1,0,1,0,0,0|2,0,0]=4 15 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [1,0,1,0,0,0|2,0,0]=4 16 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [1,0,1,0,0,0|1,0,1]=4 17 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [1,0,1,0,0,0|1,0,1]=4 18 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [1,0,1,0,0,0|2,0,0]=4 19 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [1,0,1,0,0,0|2,0,0]=4 20 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [1,0,1,0,0,0|2,0,0]=4 21 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [1,0,1,0,0,0|2,0,0]=4 22 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,1,0,0,0|1,0,1]=4 23 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,1,0,0,0|1,0,1]=4 24 B11R1.267 CNc1ncnc(c1C)OC WXVL_AK00442LP1011 [0,1,1,0,0,0|1,0,1]=4 25 B11R1.267 CNc1ncnc(c1C)OC WXVL_AK00442LP1011 [0,1,1,0,0,0|1,0,1]=4 26 B11R1.24 C=CCNc1cc(ncn1)C WXVL_AK00561LP0109 [0,1,1,0,0,0|2,0,0]=4 27 B11R1.24 C=CCNc1cc(ncn1)C WXVL_AK00561LP0109 [0,1,1,0,0,0|2,0,0]=4 28 B11R1.157 CC(=O)Nc1cc(ncn1)O WXVL_AF0437SB0150 [0,1,1,0,0,0|1,0,1]=4 29 B11R1.157 CC(=O)Nc1cc(ncn1)O WXVL_AF0437SB0150 [0,1,1,0,0,0|1,0,1]=4 30 B11R1.189 CCNc1cc(ncn1)OC WXVL_AK00476LP0072 [0,1,1,0,0,0|1,0,1]=4 31 B11R1.189 CCNc1cc(ncn1)OC WXVL_AK00476LP0072 [0,1,1,0,0,0|1,0,1]=4 32 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [0,1,0,0,0,1|2,0,0]=4 33 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [0,1,0,0,0,1|2,0,0]=4 34 B13R2.573 CNc1ncnc2c1ccn2C WXVL_AK00442LP0456 [0,2,0,0,0,0|2,0,0]=4 35 B13R2.573 CNc1ncnc2c1ccn2C WXVL_AK00442LP0456 [0,2,0,0,0,0|2,0,0]=4 36 B13R2.573 CNc1ncnc2c1cnn2C WXVL_AK00442LP3353 [0,2,0,0,0,0|1,0,0]=3 37 B13R2.573 CNc1ncnc2c1cnn2C WXVL_AK00442LP3353 [0,2,0,0,0,0|1,0,0]=3 38 B13R2.581 CNc1ncnc2c1cc([nH]2)Br WXVL_AK00442LR0533 [0,2,0,0,0,0|2,0,0]=4 39 B13R2.581 CNc1ncnc2c1cc([nH]2)Br WXVL_AK00442LR0533 [0,2,0,0,0,0|2,0,0]=4 40 B13R2.581 CNc1ncnc2c1cc([nH]2)C WXVL_AK00442LP0780 [0,2,0,0,0,0|2,0,0]=4 41 B13R2.581 CNc1ncnc2c1cc([nH]2)C WXVL_AK00442LP0780 [0,2,0,0,0,0|2,0,0]=4 42 B13R2.582 CNc1ncnc2c1c(c[nH]2)C WXVL_AK00442LP0065 [0,2,0,0,0,0|2,0,0]=4 43 B13R2.582 CNc1ncnc2c1c(c[nH]2)C WXVL_AK00442LP0065 [0,2,0,0,0,0|2,0,0]=4 44 B13R2.582 CNc1ncnc2c1c(c[nH]2)I WXVL_AK00442LR0005 [0,2,0,0,0,0|2,0,0]=4 45 B13R2.582 CNc1ncnc2c1c(c[nH]2)I WXVL_AK00442LR0005 [0,2,0,0,0,0|2,0,0]=4 46 B13R2.582 CNc1ncnc2c1c(n[nH]2)I WXVL_AK00442PY1247 [0,2,0,0,0,0|1,0,0]=3 47 B13R2.582 CNc1ncnc2c1c(n[nH]2)I WXVL_AK00442PY1247 [0,2,0,0,0,0|1,0,0]=3 48 B13R2.623 CNc1nc(nc2c1cn[nH]2)C WXVL_AK00442PY0466 [0,2,0,0,0,0|1,0,0]=3 49 B13R2.623 CNc1nc(nc2c1cn[nH]2)C WXVL_AK00442PY0466 [0,2,0,0,0,0|1,0,0]=3 50 B13R2.292 CCNc1ncnc2c1cc[nH]2 WXVL_AK00476LP0055 [0,2,0,0,0,0|2,0,0]=4 51 B13R2.292 CCNc1ncnc2c1cc[nH]2 WXVL_AK00476LP0055 [0,2,0,0,0,0|2,0,0]=4 52 B13R2.292 CCNc1ncnc2c1cn[nH]2 WXVL_AK00476PY0172 [0,2,0,0,0,0|1,0,0]=3 53 B13R2.292 CCNc1ncnc2c1cn[nH]2 WXVL_AK00476PY0172 [0,2,0,0,0,0|1,0,0]=3 54 B13R2.5569 CN(C)c1ncnc2c1cc[nH]2 WXVL_AN0032LP0055 [0,2,0,0,0,0|2,0,0]=4 55 B13R2.5569 CN(C)c1ncnc2c1cc[nH]2 WXVL_AN0032LP0055 [0,2,0,0,0,0|2,0,0]=4 56 B13R2.5569 CN(C)c1ncnc2c1cn[nH]2 WXVL_AN0032PY0172 [0,2,0,0,0,0|1,0,0]=3 57 B13R2.5569 CN(C)c1ncnc2c1cn[nH]2 WXVL_AN0032PY0172 [0,2,0,0,0,0|1,0,0]=3 58 B11R2.2 c1n[nH]cc1c2cn[nH]n2 WXVL_LR0395BT0829 [0,0,1,1,0,0|2,0,0]=4 59 B11R2.2 c1nc(n[nH]1)c2cn[nH]c2 WXVL_LR0419BT0829 [0,0,1,1,0,0|1,0,1]=4 60 B11R2.2 c1ncc([nH]1)c2cn[nH]c2 WXVL_LR0418BT0829 [0,0,1,1,0,0|1,0,1]=4 61 B11R2.2 c1nsc(n1)c2cc[nH]c2 WXVL_LR0623BT5115 [0,0,1,1,0,0|1,1,0]=4 62 B11R2.2 c1nsc(n1)c2cn[nH]c2 WXVL_LR0623BT0829 [0,0,1,1,0,0|0,1,0]=3 63 B11R2.2 c1nsc(n1)c2cnoc2 WXVL_LR0623BT1438 [0,0,1,1,0,0|1,1,0]=4