0 B14R2.1019 CNc1nc(c2ccccc2n1)C WXVL_AK00442LP0957 [0,1,0,0,0,0|1,0,0]=2 1 B14R2.1019 CNc1nc(c2ccccc2n1)C WXVL_AK00442LP0957 [0,1,0,0,0,0|1,0,0]=2 2 B14R2.1146 CNc1nc(nc2c1cccc2)C WXVL_AK00442LP0578 [0,1,0,0,0,0|1,0,0]=2 3 B14R2.1146 CNc1nc(nc2c1cccc2)C WXVL_AK00442LP0578 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [1,0,1,0,0,0|2,0,0]=4 5 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [1,0,1,0,0,0|2,0,0]=4 6 B13R2.57 CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [1,1,0,0,0,0|0,0,0]=2 7 B13R2.57 CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [1,1,0,0,0,0|0,0,0]=2 8 B13R2.1613 CNc1ncnc2c1cccc2 WXVL_AK00442LP0257 [1,1,0,0,0,0|0,0,0]=2 9 B13R2.1613 CNc1ncnc2c1cccc2 WXVL_AK00442LP0257 [1,1,0,0,0,0|0,0,0]=2 10 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [1,1,0,0,0,0|1,0,0]=3 11 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [1,1,0,0,0,0|1,0,0]=3 12 B13R2.1613 CNc1ncnc2c1nccc2 WXVL_AK00442LP0411 [1,1,0,0,0,0|1,0,0]=3 13 B13R2.1613 CNc1ncnc2c1nccc2 WXVL_AK00442LP0411 [1,1,0,0,0,0|1,0,0]=3 14 B13R2.623 CNc1nc(nc2c1scc2)C WXVL_AK00442LP0092 [0,1,0,0,1,0|2,0,0]=4 15 B13R2.623 CNc1nc(nc2c1scc2)C WXVL_AK00442LP0092 [0,1,0,0,1,0|2,0,0]=4 16 B15R2.886 CCNc1nc(c2ccccc2n1)C WXVL_AK00476LP0957 [0,2,0,0,0,0|1,0,0]=3 17 B15R2.886 CCNc1nc(c2ccccc2n1)C WXVL_AK00476LP0957 [0,2,0,0,0,0|1,0,0]=3 18 B15R2.1851 CNc1nc(nc2c1cccc2)C#N WXVL_AK00442LP3369 [0,2,0,0,0,0|0,0,1]=3 19 B15R2.1851 CNc1nc(nc2c1cccc2)C#N WXVL_AK00442LP3369 [0,2,0,0,0,0|0,0,1]=3 20 B15R2.1851 CNc1nc(nc2c1cccc2)SC WXVL_AK00442LP1414 [0,2,0,0,0,0|1,0,0]=3 21 B15R2.1851 CNc1nc(nc2c1cccc2)SC WXVL_AK00442LP1414 [0,2,0,0,0,0|1,0,0]=3 22 B15R2.2713 CNc1nc(c2cc(ccc2n1)Br)C WXVL_AK00442LQ7040 [0,2,0,0,0,0|1,0,0]=3 23 B15R2.2713 CNc1nc(c2cc(ccc2n1)Br)C WXVL_AK00442LQ7040 [0,2,0,0,0,0|1,0,0]=3 24 B15R2.14951 Cc1cc(nc2c1cccc2)C(=O)N WXVL_AK0084SE0123 [0,2,0,0,0,0|2,0,0]=4 25 B15R2.14951 Cc1cc(nc2c1cccc2)C(=O)N WXVL_AK0084SE0123 [0,2,0,0,0,0|2,0,0]=4 26 B15R2.14951 Cc1nc(nc2c1cccc2)N(C)C WXVL_AN0032LP0957 [0,2,0,0,0,0|1,0,0]=3 27 B15R2.14951 Cc1nc(nc2c1cccc2)N(C)C WXVL_AN0032LP0957 [0,2,0,0,0,0|1,0,0]=3 28 B15R2.14951 NC(=O)c1cc(c2ccccc2n1)Br WXVL_AK0084SE0750 [0,2,0,0,0,0|2,0,0]=4 29 B15R2.14951 NC(=O)c1cc(c2ccccc2n1)Br WXVL_AK0084SE0750 [0,2,0,0,0,0|2,0,0]=4 30 B15R2.988 Cc1nc(c2ccccc2n1)N(C)C WXVL_AN0032LP0578 [0,2,0,0,0,0|1,0,0]=3 31 B15R2.988 Cc1nc(c2ccccc2n1)N(C)C WXVL_AN0032LP0578 [0,2,0,0,0,0|1,0,0]=3 32 B15R2.988 NC(=O)c1cc(nc2c1cccc2)Cl WXVL_AK0084SE0083 [0,2,0,0,0,0|2,0,0]=4 33 B15R2.988 NC(=O)c1cc(nc2c1cccc2)Cl WXVL_AK0084SE0083 [0,2,0,0,0,0|2,0,0]=4 34 B15R2.988 NC(=O)c1cc(nc2c1cccc2)O WXVL_AK0084SE0063 [0,2,0,0,0,0|2,0,0]=4 35 B15R2.988 NC(=O)c1cc(nc2c1cccc2)O WXVL_AK0084SE0063 [0,2,0,0,0,0|2,0,0]=4 36 B15R2.4392 CCNc1nc(nc2c1cccc2)C WXVL_AK00476LP0578 [0,2,0,0,0,0|1,0,0]=3 37 B15R2.4392 CCNc1nc(nc2c1cccc2)C WXVL_AK00476LP0578 [0,2,0,0,0,0|1,0,0]=3 38 B15R2.89950 CNc1nc(nc2c1cc(cc2)Br)C WXVL_AK00442LQ2120 [0,2,0,0,0,0|1,0,0]=3 39 B15R2.89950 CNc1nc(nc2c1cc(cc2)Br)C WXVL_AK00442LQ2120 [0,2,0,0,0,0|1,0,0]=3 40 B13R2.5569 NC(=O)c1cccc2c1cc[nH]2 WXVL_AK0084SE0016 [0,0,1,1,0,0|2,0,0]=4 41 B13R2.5569 NC(=O)c1cccc2c1cc[nH]2 WXVL_AK0084SE0016 [0,0,1,1,0,0|2,0,0]=4 42 B13R2.5569 NC(=O)c1cccc2c1nc[nH]2 WXVL_AK0084SE1553 [0,0,1,1,0,0|1,0,0]=3 43 B13R2.5569 NC(=O)c1cccc2c1nc[nH]2 WXVL_AK0084SE1553 [0,0,1,1,0,0|1,0,0]=3 44 B13R2.5569 NC(=O)c1nccc2c1nc[nH]2 WXVL_AK0084SE1960 [0,0,1,1,0,0|2,0,0]=4 45 B13R2.5569 NC(=O)c1nccc2c1nc[nH]2 WXVL_AK0084SE1960 [0,0,1,1,0,0|2,0,0]=4 46 B13R2.18 Cc1ccccc1c2nc[nH]n2 WXVL_LR0419BT1515 [0,0,1,1,0,0|1,0,1]=4 47 B13R2.18 Cc1ccccc1c2nc[nH]n2 WXVL_LR0419BT4142 [0,0,1,1,0,0|1,0,1]=4 48 B13R2.18 Cc1ccccc1c2nc[nH]n2 WXVL_LR0419BT9252 [0,0,1,1,0,0|1,0,1]=4 49 B13R2.18 Fc1ccccc1c2nc[nH]n2 WXVL_LR0419BT1435 [0,0,1,1,0,0|1,0,1]=4 50 B13R2.18 Fc1ccccc1c2nc[nH]n2 WXVL_LR0419BT1901 [0,0,1,1,0,0|1,0,1]=4 51 B13R2.18 Oc1ccccc1c2nc[nH]n2 WXVL_LR0419BT1646 [0,0,1,1,0,0|1,0,1]=4 52 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [0,0,1,0,1,0|2,0,0]=4 53 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [0,0,1,0,1,0|2,0,0]=4