0 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [0,1,0,0,0,0|2,0,0]=3 1 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [0,1,0,0,0,0|2,0,0]=3 2 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [0,1,0,0,0,0|2,0,0]=3 4 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,1,0,0,0|2,0,1]=4 5 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,1,0,0,0|2,0,1]=4 6 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,1,0,0,0|2,0,0]=4 7 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,1,0,0,0|2,0,0]=4 8 B9R1.1 CNc1ncc(cn1)Br WXVL_AK00442LQ1546 [0,2,0,0,0,0|2,0,0]=4 9 B9R1.1 CNc1ncc(cn1)Br WXVL_AK00442LQ1546 [0,2,0,0,0,0|2,0,0]=4 10 B9R1.1 CNc1ncc(cn1)C WXVL_AK00442LP0025 [0,2,0,0,0,0|2,0,0]=4 11 B9R1.1 CNc1ncc(cn1)C WXVL_AK00442LP0025 [0,2,0,0,0,0|2,0,0]=4 12 B9R1.1 CNc1ncc(cn1)F WXVL_AK00442LP0017 [0,2,0,0,0,0|2,0,0]=4 13 B9R1.1 CNc1ncc(cn1)F WXVL_AK00442LP0017 [0,2,0,0,0,0|2,0,0]=4 14 B9R1.1 CNc1ncc(cn1)I WXVL_AK00442LP3340 [0,2,0,0,0,0|2,0,0]=4 15 B9R1.1 CNc1ncc(cn1)I WXVL_AK00442LP3340 [0,2,0,0,0,0|2,0,0]=4 16 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [0,2,0,0,0,0|2,0,0]=4 17 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [0,2,0,0,0,0|2,0,0]=4 18 B9R1.2 CNc1ccnc(n1)Br WXVL_AK00442LQ4646 [0,2,0,0,0,0|2,0,0]=4 19 B9R1.2 CNc1ccnc(n1)Br WXVL_AK00442LQ4646 [0,2,0,0,0,0|2,0,0]=4 20 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [0,2,0,0,0,0|2,0,0]=4 21 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [0,2,0,0,0,0|2,0,0]=4 22 B9R1.2 CNc1nccc(n1)Br WXVL_AK00442LQ3192 [0,2,0,0,0,0|2,0,0]=4 23 B9R1.2 CNc1nccc(n1)Br WXVL_AK00442LQ3192 [0,2,0,0,0,0|2,0,0]=4 24 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [0,2,0,0,0,0|2,0,0]=4 25 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [0,2,0,0,0,0|2,0,0]=4 26 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [0,2,0,0,0,0|2,0,0]=4 27 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [0,2,0,0,0,0|2,0,0]=4 28 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [0,2,0,0,0,0|2,0,0]=4 29 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [0,2,0,0,0,0|2,0,0]=4 30 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [0,2,0,0,0,0|0,0,1]=3 31 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [0,2,0,0,0,0|0,0,1]=3 32 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [0,2,0,0,0,0|1,0,1]=4 33 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [0,2,0,0,0,0|1,0,1]=4 34 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [0,2,0,0,0,0|1,0,1]=4 35 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [0,2,0,0,0,0|1,0,1]=4 36 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [0,2,0,0,0,0|1,0,1]=4 37 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [0,2,0,0,0,0|1,0,1]=4 38 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [0,2,0,0,0,0|2,0,0]=4 47 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [0,2,0,0,0,0|2,0,0]=4