0 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [0,1,0,0,0,0|1,0,1]=3 1 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [0,1,0,0,0,0|1,0,1]=3 2 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [0,1,0,0,0,0|1,1,1]=4 3 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [0,1,0,0,0,0|1,1,1]=4 4 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,1,0,0,0|1,0,2]=4 9 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,1,0,0,0|1,0,2]=4 10 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,1,0,0,0|1,0,2]=4 11 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,1,0,0,0|1,0,2]=4 12 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [0,0,0,0,0,1|2,0,0]=3 13 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [0,0,0,0,0,1|2,0,0]=3 14 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [0,0,0,0,0,1|2,0,0]=3 15 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [0,0,0,0,0,1|2,0,0]=3 16 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,1,0,0,0|0,0,2]=4 17 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,1,0,0,0|0,0,2]=4 18 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,1,0,0,0|0,0,2]=4 19 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,1,0,0,0|0,0,2]=4 20 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|0,0,2]=4 21 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|0,0,2]=4 22 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,1,0,0,0|0,0,2]=4 23 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,1,0,0,0|0,0,2]=4 24 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,1,0,0,0|0,0,2]=4 25 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,1,0,0,0|0,0,2]=4 26 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,1,0,0,0|1,0,1]=4 27 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,1,0,0,0|1,0,1]=4 28 B9R1.1 CNc1ncc(cn1)Br WXVL_AK00442LQ1546 [0,1,0,0,0,1|2,0,0]=4 29 B9R1.1 CNc1ncc(cn1)Br WXVL_AK00442LQ1546 [0,1,0,0,0,1|2,0,0]=4 30 B9R1.1 CNc1ncc(cn1)C WXVL_AK00442LP0025 [0,1,0,0,0,1|2,0,0]=4 31 B9R1.1 CNc1ncc(cn1)C WXVL_AK00442LP0025 [0,1,0,0,0,1|2,0,0]=4 32 B9R1.1 CNc1ncc(cn1)F WXVL_AK00442LP0017 [0,1,0,0,0,1|2,0,0]=4 33 B9R1.1 CNc1ncc(cn1)F WXVL_AK00442LP0017 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.1 CNc1ncc(cn1)I WXVL_AK00442LP3340 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.1 CNc1ncc(cn1)I WXVL_AK00442LP3340 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [0,1,0,0,0,1|2,0,0]=4 38 B9R1.2 CNc1ccnc(n1)Br WXVL_AK00442LQ4646 [0,1,0,0,0,1|2,0,0]=4 39 B9R1.2 CNc1ccnc(n1)Br WXVL_AK00442LQ4646 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [0,1,0,0,0,1|2,0,0]=4 41 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [0,1,0,0,0,1|2,0,0]=4 42 B9R1.2 CNc1nccc(n1)Br WXVL_AK00442LQ3192 [0,1,0,0,0,1|2,0,0]=4 43 B9R1.2 CNc1nccc(n1)Br WXVL_AK00442LQ3192 [0,1,0,0,0,1|2,0,0]=4 44 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [0,1,0,0,0,1|2,0,0]=4 45 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [0,1,0,0,0,1|2,0,0]=4 47 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [0,1,0,0,0,1|2,0,0]=4 48 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [0,1,0,0,0,1|2,0,0]=4 49 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,1,0,0,0,1|1,0,0]=3 51 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,1,0,0,0,1|1,0,0]=3 52 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,1,0,0,0,1|1,0,0]=3 53 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,1,0,0,0,1|1,0,0]=3 54 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [0,1,0,0,0,1|2,0,0]=4 55 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [0,1,0,0,0,1|2,0,0]=4 56 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [0,1,0,0,0,1|2,0,0]=4 57 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [0,1,0,0,0,1|2,0,0]=4 58 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [0,1,0,0,0,1|2,0,0]=4 59 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [0,1,0,0,0,1|2,0,0]=4 62 B9R1.35 Cc1ccc(o1)C(=O)N WXVL_AK0084SC0005 [0,2,0,0,0,0|1,0,1]=4 63 B9R1.35 Cc1ccc(o1)C(=O)N WXVL_AK0084SC0005 [0,2,0,0,0,0|1,0,1]=4 64 B9R1.35 NC(=O)c1ccc(o1)Cl WXVL_AK0084SC0926 [0,2,0,0,0,0|1,0,1]=4 65 B9R1.35 NC(=O)c1ccc(o1)Cl WXVL_AK0084SC0926 [0,2,0,0,0,0|1,0,1]=4 66 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,2,0,0,0,0|0,0,1]=3 67 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,2,0,0,0,0|0,0,1]=3 68 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,2,0,0,0,0|0,1,1]=4 69 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,2,0,0,0,0|0,1,1]=4 70 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [0,2,0,0,0,0|1,0,1]=4 74 B9R1.41 Cc1ccoc1C(=O)N WXVL_AK0084SC0230 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.41 Cc1ccoc1C(=O)N WXVL_AK0084SC0230 [0,2,0,0,0,0|1,0,1]=4 76 B9R1.41 NC(=O)c1occc1Br WXVL_AK0084SC0241 [0,2,0,0,0,0|1,0,1]=4 77 B9R1.41 NC(=O)c1occc1Br WXVL_AK0084SC0241 [0,2,0,0,0,0|1,0,1]=4 78 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,2,0,0,0,0|0,1,1]=4 83 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,2,0,0,0,0|0,1,1]=4