0 B12R2.315 CNc1ncnc2c1CCC2 WXVL_AK00442LP0368 [0,1,0,0,0,0|2,0,1]=4 1 B12R2.315 CNc1ncnc2c1CCC2 WXVL_AK00442LP0368 [0,1,0,0,0,0|2,0,1]=4 2 B12R2.315 CNc1ncnc2c1[nH]cc2 WXVL_AK00442LP0194 [0,1,0,0,0,0|1,0,0]=2 3 B12R2.315 CNc1ncnc2c1[nH]cc2 WXVL_AK00442LP0194 [0,1,0,0,0,0|1,0,0]=2 4 B12R2.315 CNc1ncnc2c1cc[nH]2 WXVL_AK00442LP0055 [0,1,0,0,0,0|1,0,1]=3 5 B12R2.315 CNc1ncnc2c1cc[nH]2 WXVL_AK00442LP0055 [0,1,0,0,0,0|1,0,1]=3 6 B12R2.315 CNc1ncnc2c1cco2 WXVL_AK00442LP0417 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.315 CNc1ncnc2c1cco2 WXVL_AK00442LP0417 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.315 CNc1ncnc2c1ccs2 WXVL_AK00442LP0097 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.315 CNc1ncnc2c1ccs2 WXVL_AK00442LP0097 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.315 CNc1ncnc2c1cn[nH]2 WXVL_AK00442PY0172 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.315 CNc1ncnc2c1cn[nH]2 WXVL_AK00442PY0172 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.315 CNc1ncnc2c1scc2 WXVL_AK00442LP0180 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.315 CNc1ncnc2c1scc2 WXVL_AK00442LP0180 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.315 CNc1ncnn2c1ccc2 WXVL_AK00442LP3349 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.315 CNc1ncnn2c1ccc2 WXVL_AK00442LP3349 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.2 CNc1ncnc(c1Br)C WXVL_AK00442LQ2336 [0,0,1,0,0,0|1,0,2]=4 17 B10R1.2 CNc1ncnc(c1Br)C WXVL_AK00442LQ2336 [0,0,1,0,0,0|1,0,2]=4 18 B10R1.10 CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,0,1,0,0,0|1,0,2]=4 19 B10R1.10 CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,0,1,0,0,0|1,0,2]=4 20 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,0,1,0,0,0|0,0,2]=4 21 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,0,1,0,0,0|0,0,2]=4 22 B11R1.86 CC(=O)Nc1cccnc1C WXVL_AF0055SB0150 [0,1,1,0,0,0|2,0,0]=4 23 B11R1.86 CC(=O)Nc1cccnc1C WXVL_AF0055SB0150 [0,1,1,0,0,0|2,0,0]=4 24 B11R1.86 CC(=O)Nc1cnccc1C WXVL_AF0075SB0150 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.86 CC(=O)Nc1cnccc1C WXVL_AF0075SB0150 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.86 CC(=O)Nc1cncnc1Br WXVL_AF0648SB0150 [0,1,1,0,0,0|2,0,0]=4 27 B11R1.86 CC(=O)Nc1cncnc1Br WXVL_AF0648SB0150 [0,1,1,0,0,0|2,0,0]=4 28 B11R1.86 CC(=O)Nc1cncnc1C WXVL_AF0738SB0150 [0,1,1,0,0,0|1,0,0]=3 29 B11R1.86 CC(=O)Nc1cncnc1C WXVL_AF0738SB0150 [0,1,1,0,0,0|1,0,0]=3 30 B11R1.86 CC(=O)Nc1cncnc1Cl WXVL_AF0353SB0150 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.86 CC(=O)Nc1cncnc1Cl WXVL_AF0353SB0150 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.86 CC(=O)Nc1cncnc1I WXVL_AF1297SB0150 [0,1,1,0,0,0|2,0,0]=4 33 B11R1.86 CC(=O)Nc1cncnc1I WXVL_AF1297SB0150 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.86 CC(=O)Nc1cncnc1O WXVL_AF1656SB0150 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.86 CC(=O)Nc1cncnc1O WXVL_AF1656SB0150 [0,1,1,0,0,0|2,0,0]=4 36 B11R1.24 C=CCNc1cc(ncn1)C WXVL_AK00561LP0109 [0,1,1,0,0,0|1,0,1]=4 37 B11R1.24 C=CCNc1cc(ncn1)C WXVL_AK00561LP0109 [0,1,1,0,0,0|1,0,1]=4 38 B13R2.1613 CNc1ncnc2c1cccc2 WXVL_AK00442LP0257 [0,1,0,0,0,1|2,0,0]=4 39 B13R2.1613 CNc1ncnc2c1cccc2 WXVL_AK00442LP0257 [0,1,0,0,0,1|2,0,0]=4 40 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [0,1,0,0,0,1|1,0,0]=3 41 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [0,1,0,0,0,1|1,0,0]=3 42 B13R2.1613 CNc1ncnc2c1nccc2 WXVL_AK00442LP0411 [0,1,0,0,0,1|1,0,1]=4 43 B13R2.1613 CNc1ncnc2c1nccc2 WXVL_AK00442LP0411 [0,1,0,0,0,1|1,0,1]=4 44 B13R2.573 CNc1ncnc2c1[nH]cc2Br WXVL_AK00442LR0529 [0,2,0,0,0,0|1,0,0]=3 45 B13R2.573 CNc1ncnc2c1[nH]cc2Br WXVL_AK00442LR0529 [0,2,0,0,0,0|1,0,0]=3 46 B13R2.573 CNc1ncnc2c1ccn2C WXVL_AK00442LP0456 [0,2,0,0,0,0|1,0,1]=4 47 B13R2.573 CNc1ncnc2c1ccn2C WXVL_AK00442LP0456 [0,2,0,0,0,0|1,0,1]=4 48 B13R2.573 CNc1ncnc2c1ncn2C WXVL_AK00442LP0352 [0,2,0,0,0,0|0,0,2]=4 49 B13R2.573 CNc1ncnc2c1ncn2C WXVL_AK00442LP0352 [0,2,0,0,0,0|0,0,2]=4 50 B13R2.573 CNc1ncnc2c1scc2Br WXVL_AK00442LR0532 [0,2,0,0,0,0|2,0,0]=4 51 B13R2.573 CNc1ncnc2c1scc2Br WXVL_AK00442LR0532 [0,2,0,0,0,0|2,0,0]=4 52 B13R2.573 CNc1ncnc2c1scc2C WXVL_AK00442LP0636 [0,2,0,0,0,0|2,0,0]=4 53 B13R2.573 CNc1ncnc2c1scc2C WXVL_AK00442LP0636 [0,2,0,0,0,0|2,0,0]=4 54 B13R2.581 CNc1ncnc2c1CC(=O)N2 WXVL_AK00442LP0135 [0,2,0,0,0,0|1,0,1]=4 55 B13R2.581 CNc1ncnc2c1CC(=O)N2 WXVL_AK00442LP0135 [0,2,0,0,0,0|1,0,1]=4 56 B13R2.581 CNc1ncnc2c1cc([nH]2)Br WXVL_AK00442LR0533 [0,2,0,0,0,0|1,0,1]=4 57 B13R2.581 CNc1ncnc2c1cc([nH]2)Br WXVL_AK00442LR0533 [0,2,0,0,0,0|1,0,1]=4 58 B13R2.581 CNc1ncnc2c1cc([nH]2)C WXVL_AK00442LP0780 [0,2,0,0,0,0|1,0,1]=4 59 B13R2.581 CNc1ncnc2c1cc([nH]2)C WXVL_AK00442LP0780 [0,2,0,0,0,0|1,0,1]=4 60 B13R2.581 CNc1ncnc2c1cc(s2)Br WXVL_AK00442LR0544 [0,2,0,0,0,0|2,0,0]=4 61 B13R2.581 CNc1ncnc2c1cc(s2)Br WXVL_AK00442LR0544 [0,2,0,0,0,0|2,0,0]=4 62 B13R2.581 CNc1ncnc2c1nc([nH]2)C WXVL_AK00442LP3356 [0,2,0,0,0,0|0,0,2]=4 63 B13R2.581 CNc1ncnc2c1nc([nH]2)C WXVL_AK00442LP3356 [0,2,0,0,0,0|0,0,2]=4 64 B13R2.581 CNc1ncnc2c1sc(c2)Br WXVL_AK00442LR0534 [0,2,0,0,0,0|2,0,0]=4 65 B13R2.581 CNc1ncnc2c1sc(c2)Br WXVL_AK00442LR0534 [0,2,0,0,0,0|2,0,0]=4 66 B13R2.581 CNc1ncnc2c1sc(c2)I WXVL_AK00442LR0012 [0,2,0,0,0,0|2,0,0]=4 67 B13R2.581 CNc1ncnc2c1sc(c2)I WXVL_AK00442LR0012 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.582 CNc1ncnc2c1c([nH]n2)Br WXVL_AK00442PY0042 [0,2,0,0,0,0|2,0,0]=4 69 B13R2.582 CNc1ncnc2c1c([nH]n2)Br WXVL_AK00442PY0042 [0,2,0,0,0,0|2,0,0]=4 70 B13R2.582 CNc1ncnc2c1c(c[nH]2)C WXVL_AK00442LP0065 [0,2,0,0,0,0|1,0,1]=4 71 B13R2.582 CNc1ncnc2c1c(c[nH]2)C WXVL_AK00442LP0065 [0,2,0,0,0,0|1,0,1]=4 72 B13R2.582 CNc1ncnc2c1c(c[nH]2)I WXVL_AK00442LR0005 [0,2,0,0,0,0|1,0,1]=4 73 B13R2.582 CNc1ncnc2c1c(c[nH]2)I WXVL_AK00442LR0005 [0,2,0,0,0,0|1,0,1]=4 74 B13R2.582 CNc1ncnc2c1c(cs2)Br WXVL_AK00442LR0445 [0,2,0,0,0,0|2,0,0]=4 75 B13R2.582 CNc1ncnc2c1c(cs2)C WXVL_AK00442LP0115 [0,2,0,0,0,0|2,0,0]=4 76 B13R2.582 CNc1ncnc2c1c(cs2)C WXVL_AK00442LP0115 [0,2,0,0,0,0|2,0,0]=4 77 B13R2.582 CNc1ncnc2c1n(cn2)C WXVL_AK00442LP0517 [0,2,0,0,0,0|0,0,0]=2 78 B13R2.582 CNc1ncnc2c1n(cn2)C WXVL_AK00442LP0517 [0,2,0,0,0,0|0,0,0]=2 79 B13R2.582 CNc1ncnc2c1n(nc2)C WXVL_AK00442LP3355 [0,2,0,0,0,0|2,0,0]=4 80 B13R2.582 CNc1ncnc2c1n(nc2)C WXVL_AK00442LP3355 [0,2,0,0,0,0|2,0,0]=4 81 B13R2.623 CNc1nc(nc2c1scc2)C WXVL_AK00442LP0092 [0,2,0,0,0,0|2,0,0]=4 82 B13R2.623 CNc1nc(nc2c1scc2)C WXVL_AK00442LP0092 [0,2,0,0,0,0|2,0,0]=4 83 B13R2.292 CCNc1ncnc2c1[nH]cc2 WXVL_AK00476LP0194 [0,2,0,0,0,0|1,0,0]=3 84 B13R2.292 CCNc1ncnc2c1[nH]cc2 WXVL_AK00476LP0194 [0,2,0,0,0,0|1,0,0]=3 85 B13R2.292 CCNc1ncnc2c1cc[nH]2 WXVL_AK00476LP0055 [0,2,0,0,0,0|1,0,1]=4 86 B13R2.292 CCNc1ncnc2c1cc[nH]2 WXVL_AK00476LP0055 [0,2,0,0,0,0|1,0,1]=4 87 B13R2.292 CCNc1ncnc2c1cco2 WXVL_AK00476LP0417 [0,2,0,0,0,0|2,0,0]=4 88 B13R2.292 CCNc1ncnc2c1cco2 WXVL_AK00476LP0417 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.292 CCNc1ncnc2c1ccs2 WXVL_AK00476LP0097 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.292 CCNc1ncnc2c1ccs2 WXVL_AK00476LP0097 [0,2,0,0,0,0|2,0,0]=4 91 B13R2.292 CCNc1ncnc2c1scc2 WXVL_AK00476LP0180 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.292 CCNc1ncnc2c1scc2 WXVL_AK00476LP0180 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.5569 CN(C)c1ncnc2c1[nH]cc2 WXVL_AN0032LP0194 [0,2,0,0,0,0|1,0,0]=3 94 B13R2.5569 CN(C)c1ncnc2c1[nH]cc2 WXVL_AN0032LP0194 [0,2,0,0,0,0|1,0,0]=3 95 B13R2.5569 CN(C)c1ncnc2c1cc[nH]2 WXVL_AN0032LP0055 [0,2,0,0,0,0|1,0,1]=4 96 B13R2.5569 CN(C)c1ncnc2c1cc[nH]2 WXVL_AN0032LP0055 [0,2,0,0,0,0|1,0,1]=4 97 B13R2.5569 CN(C)c1ncnc2c1cco2 WXVL_AN0032LP0417 [0,2,0,0,0,0|2,0,0]=4 98 B13R2.5569 CN(C)c1ncnc2c1cco2 WXVL_AN0032LP0417 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.5569 CN(C)c1ncnc2c1ccs2 WXVL_AN0032LP0097 [0,2,0,0,0,0|2,0,0]=4 100 B13R2.5569 CN(C)c1ncnc2c1ccs2 WXVL_AN0032LP0097 [0,2,0,0,0,0|2,0,0]=4 101 B13R2.5569 CN(C)c1ncnc2c1scc2 WXVL_AN0032LP0180 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.5569 CN(C)c1ncnc2c1scc2 WXVL_AN0032LP0180 [0,2,0,0,0,0|2,0,0]=4 103 B11R2.2 c1csc(n1)c2cnc[nH]2 WXVL_LR0418BT2077 [0,0,1,1,0,0|2,0,0]=4 104 B11R2.2 c1ncc([nH]1)c2cncs2 WXVL_LR0418BT0771 [0,0,1,1,0,0|1,0,1]=4 105 B11R2.2 c1ncc([nH]1)c2cscn2 WXVL_LR0418BT0962 [0,0,1,1,0,0|1,0,1]=4 106 B11R2.2 c1nsc(n1)c2cncs2 WXVL_LR0623BT0771 [0,0,1,1,0,0|2,0,0]=4