0 B17R3.8707 c1cc(n2nccc2n1)N3CCOCC3 WXVL_AN00478LP0018 [0,0,0,0,0,0|3,0,0]=3 1 B17R3.8707 c1cc(n2nccc2n1)N3CCOCC3 WXVL_AN00478LP0018 [0,0,0,0,0,0|3,0,0]=3 2 B17R3.8707 c1cc(n2nccc2n1)N3CCSCC3 WXVL_AN0896LP0018 [0,0,0,0,0,0|3,1,0]=4 3 B17R3.8707 c1cc2c(ncnn2c1)N3CCOCC3 WXVL_AN00478LP3349 [0,0,0,0,0,0|3,0,0]=3 4 B17R3.8707 c1cc2c(ncnn2c1)N3CCOCC3 WXVL_AN00478LP3349 [0,0,0,0,0,0|3,0,0]=3 5 B17R3.8707 c1cc2c(ncnn2c1)N3CCSCC3 WXVL_AN0896LP3349 [0,0,0,0,0,0|3,1,0]=4 6 B17R3.8707 c1nc(c2[nH]ccc2n1)N3CCOCC3 WXVL_AN00478LP0194 [0,0,0,0,0,0|1,0,1]=2 7 B17R3.8707 c1nc(c2[nH]ccc2n1)N3CCOCC3 WXVL_AN00478LP0194 [0,0,0,0,0,0|1,0,1]=2 8 B17R3.8707 c1nc(c2[nH]ccc2n1)N3CCSCC3 WXVL_AN0896LP0194 [0,0,0,0,0,0|1,1,1]=3 9 B17R3.8707 c1nc(c2cc[nH]c2n1)N3CCOCC3 WXVL_AN00478LP0055 [0,0,0,0,0,0|1,0,0]=1 10 B17R3.8707 c1nc(c2cc[nH]c2n1)N3CCOCC3 WXVL_AN00478LP0055 [0,0,0,0,0,0|1,0,0]=1 11 B17R3.8707 c1nc(c2cc[nH]c2n1)N3CCSCC3 WXVL_AN0896LP0055 [0,0,0,0,0,0|1,1,0]=2 12 B17R3.8707 c1nc(c2ccoc2n1)N3CCOCC3 WXVL_AN00478LP0417 [0,0,0,0,0,0|2,0,0]=2 13 B17R3.8707 c1nc(c2ccoc2n1)N3CCOCC3 WXVL_AN00478LP0417 [0,0,0,0,0,0|2,0,0]=2 14 B17R3.8707 c1nc(c2ccoc2n1)N3CCSCC3 WXVL_AN0896LP0417 [0,0,0,0,0,0|2,1,0]=3 15 B17R3.8707 c1nc(c2ccsc2n1)N3CCOCC3 WXVL_AN00478LP0097 [0,0,0,0,0,0|2,0,0]=2 16 B17R3.8707 c1nc(c2ccsc2n1)N3CCOCC3 WXVL_AN00478LP0097 [0,0,0,0,0,0|2,0,0]=2 17 B17R3.8707 c1nc(c2ccsc2n1)N3CCSCC3 WXVL_AN0896LP0097 [0,0,0,0,0,0|2,1,0]=3 18 B17R3.8707 c1nc(c2cn[nH]c2n1)N3CCOCC3 WXVL_AN00478PY0172 [0,0,0,0,0,0|2,0,0]=2 19 B17R3.8707 c1nc(c2cn[nH]c2n1)N3CCOCC3 WXVL_AN00478PY0172 [0,0,0,0,0,0|2,0,0]=2 20 B17R3.8707 c1nc(c2cn[nH]c2n1)N3CCSCC3 WXVL_AN0896PY0172 [0,0,0,0,0,0|2,1,0]=3 21 B17R3.8707 c1nc(c2sccc2n1)N3CCOCC3 WXVL_AN00478LP0180 [0,0,0,0,0,0|2,0,0]=2 22 B17R3.8707 c1nc(c2sccc2n1)N3CCOCC3 WXVL_AN00478LP0180 [0,0,0,0,0,0|2,0,0]=2 23 B17R3.8707 c1nc(c2sccc2n1)N3CCSCC3 WXVL_AN0896LP0180 [0,0,0,0,0,0|2,1,0]=3 24 B17R3.8707 c1nc2c(c(n1)N3CCOCC3)CCC2 WXVL_AN00478LP0368 [0,0,0,0,0,0|2,0,1]=3 25 B17R3.8707 c1nc2c(c(n1)N3CCOCC3)CCC2 WXVL_AN00478LP0368 [0,0,0,0,0,0|2,0,1]=3 26 B17R3.8707 c1nc2c(c(n1)N3CCSCC3)CCC2 WXVL_AN0896LP0368 [0,0,0,0,0,0|2,1,1]=4 27 B18R3.1 Brc1c[nH]c2c1ncnc2N3CCOCC3 WXVL_AN00478LR0529 [0,1,0,0,0,0|1,0,1]=3 28 B18R3.1 Brc1c[nH]c2c1ncnc2N3CCOCC3 WXVL_AN00478LR0529 [0,1,0,0,0,0|1,0,1]=3 29 B18R3.1 Brc1c[nH]c2c1ncnc2N3CCSCC3 WXVL_AN0896LR0529 [0,1,0,0,0,0|1,1,1]=4 30 B18R3.1 Brc1csc2c1ncnc2N3CCOCC3 WXVL_AN00478LR0532 [0,1,0,0,0,0|2,0,0]=3 31 B18R3.1 Brc1csc2c1ncnc2N3CCOCC3 WXVL_AN00478LR0532 [0,1,0,0,0,0|2,0,0]=3 32 B18R3.1 Brc1csc2c1ncnc2N3CCSCC3 WXVL_AN0896LR0532 [0,1,0,0,0,0|2,1,0]=4 33 B18R3.1 Cc1csc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0636 [0,1,0,0,0,0|2,0,0]=3 34 B18R3.1 Cc1csc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0636 [0,1,0,0,0,0|2,0,0]=3 35 B18R3.1 Cc1csc2c1ncnc2N3CCSCC3 WXVL_AN0896LP0636 [0,1,0,0,0,0|2,1,0]=4 36 B18R3.1 Cn1ccc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0456 [0,1,0,0,0,0|1,0,0]=2 37 B18R3.1 Cn1ccc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0456 [0,1,0,0,0,0|1,0,0]=2 38 B18R3.1 Cn1ccc2c1ncnc2N3CCSCC3 WXVL_AN0896LP0456 [0,1,0,0,0,0|1,1,0]=3 39 B18R3.1 Cn1cnc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0352 [0,1,0,0,0,0|0,0,0]=1 40 B18R3.1 Cn1cnc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0352 [0,1,0,0,0,0|0,0,0]=1 41 B18R3.1 Cn1cnc2c1ncnc2N3CCSCC3 WXVL_AN0896LP0352 [0,1,0,0,0,0|0,1,0]=2 42 B18R3.1 Cn1ncc2c1ncnc2N3CCOCC3 WXVL_AN00478LP3353 [0,1,0,0,0,0|2,0,0]=3 43 B18R3.1 Cn1ncc2c1ncnc2N3CCOCC3 WXVL_AN00478LP3353 [0,1,0,0,0,0|2,0,0]=3 44 B18R3.1 Cn1ncc2c1ncnc2N3CCSCC3 WXVL_AN0896LP3353 [0,1,0,0,0,0|2,1,0]=4 45 B18R3.174 Cc1nc(c2cn[nH]c2n1)N3CCOCC3 WXVL_AN00478PY0466 [0,1,0,0,0,0|2,0,0]=3 46 B18R3.174 Cc1nc(c2cn[nH]c2n1)N3CCOCC3 WXVL_AN00478PY0466 [0,1,0,0,0,0|2,0,0]=3 47 B18R3.174 Cc1nc(c2cn[nH]c2n1)N3CCSCC3 WXVL_AN0896PY0466 [0,1,0,0,0,0|2,1,0]=4 48 B18R3.174 Cc1nc(c2sccc2n1)N3CCOCC3 WXVL_AN00478LP0092 [0,1,0,0,0,0|2,0,0]=3 49 B18R3.174 Cc1nc(c2sccc2n1)N3CCOCC3 WXVL_AN00478LP0092 [0,1,0,0,0,0|2,0,0]=3 50 B18R3.174 Cc1nc(c2sccc2n1)N3CCSCC3 WXVL_AN0896LP0092 [0,1,0,0,0,0|2,1,0]=4 51 B18R3.174 Cc1nc2c(c(n1)N3CCOCC3)CCC2 WXVL_AN00478LP1986 [0,1,0,0,0,0|2,0,1]=4 52 B18R3.174 Cc1nc2c(c(n1)N3CCOCC3)CCC2 WXVL_AN00478LP1986 [0,1,0,0,0,0|2,0,1]=4 53 B18R3.213 Brc1cc2c(ncnc2[nH]1)N3CCOCC3 WXVL_AN00478LR0533 [0,1,0,0,0,0|1,0,0]=2 54 B18R3.213 Brc1cc2c(ncnc2[nH]1)N3CCOCC3 WXVL_AN00478LR0533 [0,1,0,0,0,0|1,0,0]=2 55 B18R3.213 Brc1cc2c(ncnc2[nH]1)N3CCSCC3 WXVL_AN0896LR0533 [0,1,0,0,0,0|1,1,0]=3 56 B18R3.213 Brc1cc2c(ncnc2s1)N3CCOCC3 WXVL_AN00478LR0544 [0,1,0,0,0,0|2,0,0]=3 57 B18R3.213 Brc1cc2c(ncnc2s1)N3CCOCC3 WXVL_AN00478LR0544 [0,1,0,0,0,0|2,0,0]=3 58 B18R3.213 Brc1cc2c(ncnc2s1)N3CCSCC3 WXVL_AN0896LR0544 [0,1,0,0,0,0|2,1,0]=4 59 B18R3.213 Brc1cc2c(ncnn2c1)N3CCOCC3 WXVL_AN00478LR0556 [0,1,0,0,0,0|3,0,0]=4 60 B18R3.213 Brc1cc2c(ncnn2c1)N3CCOCC3 WXVL_AN00478LR0556 [0,1,0,0,0,0|3,0,0]=4 61 B18R3.213 Brc1cc2nccc(n2n1)N3CCOCC3 WXVL_AN00478LP3359 [0,1,0,0,0,0|3,0,0]=4 62 B18R3.213 Brc1cc2nccc(n2n1)N3CCOCC3 WXVL_AN00478LP3359 [0,1,0,0,0,0|3,0,0]=4 63 B18R3.213 Brc1cc2ncnc(c2s1)N3CCOCC3 WXVL_AN00478LR0534 [0,1,0,0,0,0|2,0,0]=3 64 B18R3.213 Brc1cc2ncnc(c2s1)N3CCOCC3 WXVL_AN00478LR0534 [0,1,0,0,0,0|2,0,0]=3 65 B18R3.213 Brc1cc2ncnc(c2s1)N3CCSCC3 WXVL_AN0896LR0534 [0,1,0,0,0,0|2,1,0]=4 66 B18R3.213 Cc1cc2c(ncnc2[nH]1)N3CCOCC3 WXVL_AN00478LP0780 [0,1,0,0,0,0|1,0,0]=2 67 B18R3.213 Cc1cc2c(ncnc2[nH]1)N3CCOCC3 WXVL_AN00478LP0780 [0,1,0,0,0,0|1,0,0]=2 68 B18R3.213 Cc1cc2c(ncnc2[nH]1)N3CCSCC3 WXVL_AN0896LP0780 [0,1,0,0,0,0|1,1,0]=3 69 B18R3.213 Cc1nc2c(ncnc2[nH]1)N3CCOCC3 WXVL_AN00478LP3356 [0,1,0,0,0,0|0,0,0]=1 70 B18R3.213 Cc1nc2c(ncnc2[nH]1)N3CCOCC3 WXVL_AN00478LP3356 [0,1,0,0,0,0|0,0,0]=1 71 B18R3.213 Cc1nc2c(ncnc2[nH]1)N3CCSCC3 WXVL_AN0896LP3356 [0,1,0,0,0,0|0,1,0]=2 72 B18R3.213 Ic1cc2ncnc(c2s1)N3CCOCC3 WXVL_AN00478LR0012 [0,1,0,0,0,0|2,0,0]=3 73 B18R3.213 Ic1cc2ncnc(c2s1)N3CCOCC3 WXVL_AN00478LR0012 [0,1,0,0,0,0|2,0,0]=3 74 B18R3.213 Ic1cc2ncnc(c2s1)N3CCSCC3 WXVL_AN0896LR0012 [0,1,0,0,0,0|2,1,0]=4 75 B18R3.213 O=C1Cc2c(ncnc2N3CCOCC3)N1 WXVL_AN00478LP0135 [0,1,0,0,0,0|1,0,0]=2 76 B18R3.213 O=C1Cc2c(ncnc2N3CCOCC3)N1 WXVL_AN00478LP0135 [0,1,0,0,0,0|1,0,0]=2 77 B18R3.213 O=C1Cc2c(ncnc2N3CCSCC3)N1 WXVL_AN0896LP0135 [0,1,0,0,0,0|1,1,0]=3 78 B18R3.3140 C[C@@H]1COCCN1c2ccnc3n2ncc3 WXVL_AN00562LP0018 [0,1,0,0,0,0|3,0,0]=4 79 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2CCC3 WXVL_AN00562LP0368 [0,1,0,0,0,0|2,0,1]=4 80 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2[nH]cc3 WXVL_AN00562LP0194 [0,1,0,0,0,0|1,0,1]=3 81 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2cc[nH]3 WXVL_AN00562LP0055 [0,1,0,0,0,0|1,0,0]=2 82 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2cco3 WXVL_AN00562LP0417 [0,1,0,0,0,0|2,0,0]=3 83 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2ccs3 WXVL_AN00562LP0097 [0,1,0,0,0,0|2,0,0]=3 84 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2cn[nH]3 WXVL_AN00562PY0172 [0,1,0,0,0,0|2,0,0]=3 85 B18R3.3140 C[C@@H]1COCCN1c2ncnc3c2scc3 WXVL_AN00562LP0180 [0,1,0,0,0,0|2,0,0]=3 86 B18R3.3140 C[C@@H]1COCCN1c2ncnn3c2ccc3 WXVL_AN00562LP3349 [0,1,0,0,0,0|3,0,0]=4 87 B18R3.3140 C[C@H]1CCCCN1c2ncnc3c2[nH]cc3 WXVL_AN00851LP0194 [0,1,0,0,0,0|2,0,1]=4 88 B18R3.3140 C[C@H]1CCCCN1c2ncnc3c2cc[nH]3 WXVL_AN00851LP0055 [0,1,0,0,0,0|2,0,0]=3 89 B18R3.3140 C[C@H]1CCCCN1c2ncnc3c2cco3 WXVL_AN00851LP0417 [0,1,0,0,0,0|3,0,0]=4 90 B18R3.3140 C[C@H]1CCCCN1c2ncnc3c2ccs3 WXVL_AN00851LP0097 [0,1,0,0,0,0|3,0,0]=4 91 B18R3.3140 C[C@H]1CCCCN1c2ncnc3c2cn[nH]3 WXVL_AN00851PY0172 [0,1,0,0,0,0|3,0,0]=4 92 B18R3.3140 C[C@H]1CCCCN1c2ncnc3c2scc3 WXVL_AN00851LP0180 [0,1,0,0,0,0|3,0,0]=4 93 B18R3.3140 C[C@H]1COCCN1c2ccnc3n2ncc3 WXVL_AN00472LP0018 [0,1,0,0,0,0|3,0,0]=4 94 B18R3.3140 C[C@H]1COCCN1c2ccnc3n2ncc3 WXVL_AN00472LP0018 [0,1,0,0,0,0|3,0,0]=4 95 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2CCC3 WXVL_AN00472LP0368 [0,1,0,0,0,0|2,0,1]=4 96 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2CCC3 WXVL_AN00472LP0368 [0,1,0,0,0,0|2,0,1]=4 97 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2[nH]cc3 WXVL_AN00472LP0194 [0,1,0,0,0,0|1,0,1]=3 98 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2[nH]cc3 WXVL_AN00472LP0194 [0,1,0,0,0,0|1,0,1]=3 99 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cc[nH]3 WXVL_AN00472LP0055 [0,1,0,0,0,0|1,0,0]=2 100 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cc[nH]3 WXVL_AN00472LP0055 [0,1,0,0,0,0|1,0,0]=2 101 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cco3 WXVL_AN00472LP0417 [0,1,0,0,0,0|2,0,0]=3 102 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cco3 WXVL_AN00472LP0417 [0,1,0,0,0,0|2,0,0]=3 103 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2ccs3 WXVL_AN00472LP0097 [0,1,0,0,0,0|2,0,0]=3 104 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2ccs3 WXVL_AN00472LP0097 [0,1,0,0,0,0|2,0,0]=3 105 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cn[nH]3 WXVL_AN00472PY0172 [0,1,0,0,0,0|2,0,0]=3 106 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cn[nH]3 WXVL_AN00472PY0172 [0,1,0,0,0,0|2,0,0]=3 107 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2scc3 WXVL_AN00472LP0180 [0,1,0,0,0,0|2,0,0]=3 108 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2scc3 WXVL_AN00472LP0180 [0,1,0,0,0,0|2,0,0]=3 109 B18R3.3140 C[C@H]1COCCN1c2ncnn3c2ccc3 WXVL_AN00472LP3349 [0,1,0,0,0,0|3,0,0]=4 110 B18R3.3140 C[C@H]1COCCN1c2ncnn3c2ccc3 WXVL_AN00472LP3349 [0,1,0,0,0,0|3,0,0]=4 111 B18R3.8788 BrC1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN00579LP0194 [0,1,0,0,0,0|2,0,1]=4 112 B18R3.8788 BrC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00579LP0055 [0,1,0,0,0,0|2,0,0]=3 113 B18R3.8788 BrC1CCN(CC1)c2ncnc3c2cco3 WXVL_AN00579LP0417 [0,1,0,0,0,0|3,0,0]=4 114 B18R3.8788 BrC1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN00579LP0097 [0,1,0,0,0,0|3,0,0]=4 115 B18R3.8788 BrC1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN00579PY0172 [0,1,0,0,0,0|3,0,0]=4 116 B18R3.8788 BrC1CCN(CC1)c2ncnc3c2scc3 WXVL_AN00579LP0180 [0,1,0,0,0,0|3,0,0]=4 117 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN00121LP0194 [0,1,0,0,0,0|2,0,1]=4 118 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN00121LP0194 [0,1,0,0,0,0|2,0,1]=4 119 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00121LP0055 [0,1,0,0,0,0|2,0,0]=3 120 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00121LP0055 [0,1,0,0,0,0|2,0,0]=3 121 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cco3 WXVL_AN00121LP0417 [0,1,0,0,0,0|3,0,0]=4 122 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cco3 WXVL_AN00121LP0417 [0,1,0,0,0,0|3,0,0]=4 123 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN00121LP0097 [0,1,0,0,0,0|3,0,0]=4 124 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN00121LP0097 [0,1,0,0,0,0|3,0,0]=4 125 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN00121PY0172 [0,1,0,0,0,0|3,0,0]=4 126 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN00121PY0172 [0,1,0,0,0,0|3,0,0]=4 127 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2scc3 WXVL_AN00121LP0180 [0,1,0,0,0,0|3,0,0]=4 128 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2scc3 WXVL_AN00121LP0180 [0,1,0,0,0,0|3,0,0]=4 129 B18R3.8788 CC1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN0025LP0194 [0,1,0,0,0,0|2,0,1]=4 130 B18R3.8788 CC1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN0025LP0194 [0,1,0,0,0,0|2,0,1]=4 131 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN0025LP0055 [0,1,0,0,0,0|2,0,0]=3 132 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN0025LP0055 [0,1,0,0,0,0|2,0,0]=3 133 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cco3 WXVL_AN0025LP0417 [0,1,0,0,0,0|3,0,0]=4 134 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cco3 WXVL_AN0025LP0417 [0,1,0,0,0,0|3,0,0]=4 135 B18R3.8788 CC1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN0025LP0097 [0,1,0,0,0,0|3,0,0]=4 136 B18R3.8788 CC1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN0025LP0097 [0,1,0,0,0,0|3,0,0]=4 137 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN0025PY0172 [0,1,0,0,0,0|3,0,0]=4 138 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN0025PY0172 [0,1,0,0,0,0|3,0,0]=4 139 B18R3.8788 CC1CCN(CC1)c2ncnc3c2scc3 WXVL_AN0025LP0180 [0,1,0,0,0,0|3,0,0]=4 140 B18R3.8788 CC1CCN(CC1)c2ncnc3c2scc3 WXVL_AN0025LP0180 [0,1,0,0,0,0|3,0,0]=4 141 B18R3.8788 CN1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN00865LP0194 [0,1,0,0,0,0|2,0,1]=4 142 B18R3.8788 CN1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00865LP0055 [0,1,0,0,0,0|2,0,0]=3 143 B18R3.8788 CN1CCN(CC1)c2ncnc3c2cco3 WXVL_AN00865LP0417 [0,1,0,0,0,0|3,0,0]=4 144 B18R3.8788 CN1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN00865LP0097 [0,1,0,0,0,0|3,0,0]=4 145 B18R3.8788 CN1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN00865PY0172 [0,1,0,0,0,0|3,0,0]=4 146 B18R3.8788 CN1CCN(CC1)c2ncnc3c2scc3 WXVL_AN00865LP0180 [0,1,0,0,0,0|3,0,0]=4 147 B18R3.8788 FC1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN0279LP0194 [0,1,0,0,0,0|2,0,1]=4 148 B18R3.8788 FC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN0279LP0055 [0,1,0,0,0,0|2,0,0]=3 149 B18R3.8788 FC1CCN(CC1)c2ncnc3c2cco3 WXVL_AN0279LP0417 [0,1,0,0,0,0|3,0,0]=4 150 B18R3.8788 FC1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN0279LP0097 [0,1,0,0,0,0|3,0,0]=4 151 B18R3.8788 FC1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN0279PY0172 [0,1,0,0,0,0|3,0,0]=4 152 B18R3.8788 FC1CCN(CC1)c2ncnc3c2scc3 WXVL_AN0279LP0180 [0,1,0,0,0,0|3,0,0]=4 153 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN00655LP0194 [0,1,0,0,0,0|1,1,1]=4 154 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00655LP0055 [0,1,0,0,0,0|1,1,0]=3 155 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2cco3 WXVL_AN00655LP0417 [0,1,0,0,0,0|2,1,0]=4 156 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN00655LP0097 [0,1,0,0,0,0|2,1,0]=4 157 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN00655PY0172 [0,1,0,0,0,0|2,1,0]=4 158 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2scc3 WXVL_AN00655LP0180 [0,1,0,0,0,0|2,1,0]=4 159 B18R3.8788 OC1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN0023LP0194 [0,1,0,0,0,0|2,0,1]=4 160 B18R3.8788 OC1CCN(CC1)c2ncnc3c2[nH]cc3 WXVL_AN0023LP0194 [0,1,0,0,0,0|2,0,1]=4 161 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN0023LP0055 [0,1,0,0,0,0|2,0,0]=3 162 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN0023LP0055 [0,1,0,0,0,0|2,0,0]=3 163 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cco3 WXVL_AN0023LP0417 [0,1,0,0,0,0|3,0,0]=4 164 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cco3 WXVL_AN0023LP0417 [0,1,0,0,0,0|3,0,0]=4 165 B18R3.8788 OC1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN0023LP0097 [0,1,0,0,0,0|3,0,0]=4 166 B18R3.8788 OC1CCN(CC1)c2ncnc3c2ccs3 WXVL_AN0023LP0097 [0,1,0,0,0,0|3,0,0]=4 167 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN0023PY0172 [0,1,0,0,0,0|3,0,0]=4 168 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cn[nH]3 WXVL_AN0023PY0172 [0,1,0,0,0,0|3,0,0]=4 169 B18R3.8788 OC1CCN(CC1)c2ncnc3c2scc3 WXVL_AN0023LP0180 [0,1,0,0,0,0|3,0,0]=4 170 B18R3.8788 OC1CCN(CC1)c2ncnc3c2scc3 WXVL_AN0023LP0180 [0,1,0,0,0,0|3,0,0]=4 171 B18R3.31674 BrC1CCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00704LP0194 [0,1,0,0,0,0|2,0,1]=4 172 B18R3.31674 BrC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00704LP0055 [0,1,0,0,0,0|2,0,0]=3 173 B18R3.31674 BrC1CCCN(C1)c2ncnc3c2cco3 WXVL_AN00704LP0417 [0,1,0,0,0,0|3,0,0]=4 174 B18R3.31674 BrC1CCCN(C1)c2ncnc3c2ccs3 WXVL_AN00704LP0097 [0,1,0,0,0,0|3,0,0]=4 175 B18R3.31674 BrC1CCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00704PY0172 [0,1,0,0,0,0|3,0,0]=4 176 B18R3.31674 BrC1CCCN(C1)c2ncnc3c2scc3 WXVL_AN00704LP0180 [0,1,0,0,0,0|3,0,0]=4 177 B18R3.31674 CC1CN(CCO1)c2ccnc3n2ncc3 WXVL_AN0569LP0018 [0,1,0,0,0,0|3,0,0]=4 178 B18R3.31674 CC1CN(CCO1)c2ncnc3c2CCC3 WXVL_AN0569LP0368 [0,1,0,0,0,0|2,0,1]=4 179 B18R3.31674 CC1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN0569LP0194 [0,1,0,0,0,0|1,0,1]=3 180 B18R3.31674 CC1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN0569LP0055 [0,1,0,0,0,0|1,0,0]=2 181 B18R3.31674 CC1CN(CCO1)c2ncnc3c2cco3 WXVL_AN0569LP0417 [0,1,0,0,0,0|2,0,0]=3 182 B18R3.31674 CC1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN0569LP0097 [0,1,0,0,0,0|2,0,0]=3 183 B18R3.31674 CC1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN0569PY0172 [0,1,0,0,0,0|2,0,0]=3 184 B18R3.31674 CC1CN(CCO1)c2ncnc3c2scc3 WXVL_AN0569LP0180 [0,1,0,0,0,0|2,0,0]=3 185 B18R3.31674 CC1CN(CCO1)c2ncnn3c2ccc3 WXVL_AN0569LP3349 [0,1,0,0,0,0|3,0,0]=4 186 B18R3.31674 C[C@@H]1CCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00782LP0194 [0,1,0,0,0,0|2,0,1]=4 187 B18R3.31674 C[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00782LP0055 [0,1,0,0,0,0|2,0,0]=3 188 B18R3.31674 C[C@@H]1CCCN(C1)c2ncnc3c2cco3 WXVL_AN00782LP0417 [0,1,0,0,0,0|3,0,0]=4 189 B18R3.31674 C[C@@H]1CCCN(C1)c2ncnc3c2ccs3 WXVL_AN00782LP0097 [0,1,0,0,0,0|3,0,0]=4 190 B18R3.31674 C[C@@H]1CCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00782PY0172 [0,1,0,0,0,0|3,0,0]=4 191 B18R3.31674 C[C@@H]1CCCN(C1)c2ncnc3c2scc3 WXVL_AN00782LP0180 [0,1,0,0,0,0|3,0,0]=4 192 B18R3.31674 C[C@@H]1CN(CCO1)c2ccnc3n2ncc3 WXVL_AN00210LP0018 [0,1,0,0,0,0|3,0,0]=4 193 B18R3.31674 C[C@@H]1CN(CCO1)c2ccnc3n2ncc3 WXVL_AN00210LP0018 [0,1,0,0,0,0|3,0,0]=4 194 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2CCC3 WXVL_AN00210LP0368 [0,1,0,0,0,0|2,0,1]=4 195 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2CCC3 WXVL_AN00210LP0368 [0,1,0,0,0,0|2,0,1]=4 196 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00210LP0194 [0,1,0,0,0,0|1,0,1]=3 197 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00210LP0194 [0,1,0,0,0,0|1,0,1]=3 198 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00210LP0055 [0,1,0,0,0,0|1,0,0]=2 199 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00210LP0055 [0,1,0,0,0,0|1,0,0]=2 200 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00210LP0417 [0,1,0,0,0,0|2,0,0]=3 201 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00210LP0417 [0,1,0,0,0,0|2,0,0]=3 202 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00210LP0097 [0,1,0,0,0,0|2,0,0]=3 203 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00210LP0097 [0,1,0,0,0,0|2,0,0]=3 204 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00210PY0172 [0,1,0,0,0,0|2,0,0]=3 205 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00210PY0172 [0,1,0,0,0,0|2,0,0]=3 206 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00210LP0180 [0,1,0,0,0,0|2,0,0]=3 207 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00210LP0180 [0,1,0,0,0,0|2,0,0]=3 208 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnn3c2ccc3 WXVL_AN00210LP3349 [0,1,0,0,0,0|3,0,0]=4 209 B18R3.31674 C[C@@H]1CN(CCO1)c2ncnn3c2ccc3 WXVL_AN00210LP3349 [0,1,0,0,0,0|3,0,0]=4 210 B18R3.31674 C[C@H]1CN(CCO1)c2ccnc3n2ncc3 WXVL_AN00212LP0018 [0,1,0,0,0,0|3,0,0]=4 211 B18R3.31674 C[C@H]1CN(CCO1)c2ccnc3n2ncc3 WXVL_AN00212LP0018 [0,1,0,0,0,0|3,0,0]=4 212 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2CCC3 WXVL_AN00212LP0368 [0,1,0,0,0,0|2,0,1]=4 213 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2CCC3 WXVL_AN00212LP0368 [0,1,0,0,0,0|2,0,1]=4 214 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00212LP0194 [0,1,0,0,0,0|1,0,1]=3 215 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00212LP0194 [0,1,0,0,0,0|1,0,1]=3 216 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00212LP0055 [0,1,0,0,0,0|1,0,0]=2 217 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00212LP0055 [0,1,0,0,0,0|1,0,0]=2 218 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00212LP0417 [0,1,0,0,0,0|2,0,0]=3 219 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00212LP0417 [0,1,0,0,0,0|2,0,0]=3 220 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00212LP0097 [0,1,0,0,0,0|2,0,0]=3 221 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00212LP0097 [0,1,0,0,0,0|2,0,0]=3 222 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00212PY0172 [0,1,0,0,0,0|2,0,0]=3 223 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00212PY0172 [0,1,0,0,0,0|2,0,0]=3 224 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00212LP0180 [0,1,0,0,0,0|2,0,0]=3 225 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00212LP0180 [0,1,0,0,0,0|2,0,0]=3 226 B18R3.31674 C[C@H]1CN(CCO1)c2ncnn3c2ccc3 WXVL_AN00212LP3349 [0,1,0,0,0,0|3,0,0]=4 227 B18R3.31674 C[C@H]1CN(CCO1)c2ncnn3c2ccc3 WXVL_AN00212LP3349 [0,1,0,0,0,0|3,0,0]=4 228 B18R3.31674 FC1CCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN2271LP0194 [0,1,0,0,0,0|2,0,1]=4 229 B18R3.31674 FC1CCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN2271LP0194 [0,1,0,0,0,0|2,0,1]=4 230 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN2271LP0055 [0,1,0,0,0,0|2,0,0]=3 231 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN2271LP0055 [0,1,0,0,0,0|2,0,0]=3 232 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cco3 WXVL_AN2271LP0417 [0,1,0,0,0,0|3,0,0]=4 233 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cco3 WXVL_AN2271LP0417 [0,1,0,0,0,0|3,0,0]=4 234 B18R3.31674 FC1CCCN(C1)c2ncnc3c2ccs3 WXVL_AN2271LP0097 [0,1,0,0,0,0|3,0,0]=4 235 B18R3.31674 FC1CCCN(C1)c2ncnc3c2ccs3 WXVL_AN2271LP0097 [0,1,0,0,0,0|3,0,0]=4 236 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN2271PY0172 [0,1,0,0,0,0|3,0,0]=4 237 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN2271PY0172 [0,1,0,0,0,0|3,0,0]=4 238 B18R3.31674 FC1CCCN(C1)c2ncnc3c2scc3 WXVL_AN2271LP0180 [0,1,0,0,0,0|3,0,0]=4 239 B18R3.31674 FC1CCCN(C1)c2ncnc3c2scc3 WXVL_AN2271LP0180 [0,1,0,0,0,0|3,0,0]=4 240 B18R3.31674 O=C1CN(CCN1)c2ncnc3c2cc[nH]3 WXVL_AN0102LP0055 [0,1,0,0,0,0|2,0,1]=4 241 B18R3.31674 O=C1CN(CCN1)c2ncnc3c2cc[nH]3 WXVL_AN0102LP0055 [0,1,0,0,0,0|2,0,1]=4 242 B18R3.31674 O=C1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN4960LP0194 [0,1,0,0,0,0|1,0,2]=4 243 B18R3.31674 O=C1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN4960LP0055 [0,1,0,0,0,0|1,0,1]=3 244 B18R3.31674 O=C1CN(CCO1)c2ncnc3c2cco3 WXVL_AN4960LP0417 [0,1,0,0,0,0|2,0,1]=4 245 B18R3.31674 O=C1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN4960LP0097 [0,1,0,0,0,0|2,0,1]=4 246 B18R3.31674 O=C1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN4960PY0172 [0,1,0,0,0,0|2,0,1]=4 247 B18R3.31674 O=C1CN(CCO1)c2ncnc3c2scc3 WXVL_AN4960LP0180 [0,1,0,0,0,0|2,0,1]=4 248 B18R3.31674 OC1CCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN0622LP0194 [0,1,0,0,0,0|2,0,1]=4 249 B18R3.31674 OC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0622LP0055 [0,1,0,0,0,0|2,0,0]=3 250 B18R3.31674 OC1CCCN(C1)c2ncnc3c2cco3 WXVL_AN0622LP0417 [0,1,0,0,0,0|3,0,0]=4 251 B18R3.31674 OC1CCCN(C1)c2ncnc3c2ccs3 WXVL_AN0622LP0097 [0,1,0,0,0,0|3,0,0]=4 252 B18R3.31674 OC1CCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN0622PY0172 [0,1,0,0,0,0|3,0,0]=4 253 B18R3.31674 OC1CCCN(C1)c2ncnc3c2scc3 WXVL_AN0622LP0180 [0,1,0,0,0,0|3,0,0]=4 254 B18R3.31674 OC1CN(CCO1)c2ccnc3n2ncc3 WXVL_AN00776LP0018 [0,1,0,0,0,0|3,0,0]=4 255 B18R3.31674 OC1CN(CCO1)c2ncnc3c2CCC3 WXVL_AN00776LP0368 [0,1,0,0,0,0|2,0,1]=4 256 B18R3.31674 OC1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00776LP0194 [0,1,0,0,0,0|1,0,1]=3 257 B18R3.31674 OC1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00776LP0055 [0,1,0,0,0,0|1,0,0]=2 258 B18R3.31674 OC1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00776LP0417 [0,1,0,0,0,0|2,0,0]=3 259 B18R3.31674 OC1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00776LP0097 [0,1,0,0,0,0|2,0,0]=3 260 B18R3.31674 OC1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00776PY0172 [0,1,0,0,0,0|2,0,0]=3 261 B18R3.31674 OC1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00776LP0180 [0,1,0,0,0,0|2,0,0]=3 262 B18R3.31674 OC1CN(CCO1)c2ncnn3c2ccc3 WXVL_AN00776LP3349 [0,1,0,0,0,0|3,0,0]=4 263 B18R3.31674 O[C@@H]1CCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00535LP0194 [0,1,0,0,0,0|2,0,1]=4 264 B18R3.31674 O[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00535LP0055 [0,1,0,0,0,0|2,0,0]=3 265 B18R3.31674 O[C@@H]1CCCN(C1)c2ncnc3c2cco3 WXVL_AN00535LP0417 [0,1,0,0,0,0|3,0,0]=4 266 B18R3.31674 O[C@@H]1CCCN(C1)c2ncnc3c2ccs3 WXVL_AN00535LP0097 [0,1,0,0,0,0|3,0,0]=4 267 B18R3.31674 O[C@@H]1CCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00535PY0172 [0,1,0,0,0,0|3,0,0]=4 268 B18R3.31674 O[C@@H]1CCCN(C1)c2ncnc3c2scc3 WXVL_AN00535LP0180 [0,1,0,0,0,0|3,0,0]=4 269 B18R3.51480 Brc1[nH]nc2c1c(ncn2)N3CCOCC3 WXVL_AN00478PY0042 [0,1,0,0,0,0|2,0,1]=4 270 B18R3.51480 Brc1[nH]nc2c1c(ncn2)N3CCOCC3 WXVL_AN00478PY0042 [0,1,0,0,0,0|2,0,1]=4 271 B18R3.51480 Brc1ccn2c1c(ncn2)N3CCOCC3 WXVL_AN00478LR0743 [0,1,0,0,0,0|3,0,0]=4 272 B18R3.51480 Brc1ccn2c1c(ncn2)N3CCOCC3 WXVL_AN00478LR0743 [0,1,0,0,0,0|3,0,0]=4 273 B18R3.51480 Brc1csc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LR0445 [0,1,0,0,0,0|2,0,0]=3 274 B18R3.51480 Cc1c[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0065 [0,1,0,0,0,0|1,0,0]=2 275 B18R3.51480 Cc1c[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0065 [0,1,0,0,0,0|1,0,0]=2 276 B18R3.51480 Cc1c[nH]c2c1c(ncn2)N3CCSCC3 WXVL_AN0896LP0065 [0,1,0,0,0,0|1,1,0]=3 277 B18R3.51480 Cc1csc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0115 [0,1,0,0,0,0|2,0,0]=3 278 B18R3.51480 Cc1csc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0115 [0,1,0,0,0,0|2,0,0]=3 279 B18R3.51480 Cc1csc2c1c(ncn2)N3CCSCC3 WXVL_AN0896LP0115 [0,1,0,0,0,0|2,1,0]=4 280 B18R3.51480 Cn1cnc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0517 [0,1,0,0,0,0|0,0,2]=3 281 B18R3.51480 Cn1cnc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0517 [0,1,0,0,0,0|0,0,2]=3 282 B18R3.51480 Cn1cnc2c1c(ncn2)N3CCSCC3 WXVL_AN0896LP0517 [0,1,0,0,0,0|0,1,2]=4 283 B18R3.51480 Cn1ncc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP3355 [0,1,0,0,0,0|2,0,1]=4 284 B18R3.51480 Cn1ncc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP3355 [0,1,0,0,0,0|2,0,1]=4 285 B18R3.51480 Ic1c[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478LR0005 [0,1,0,0,0,0|1,0,0]=2 286 B18R3.51480 Ic1c[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478LR0005 [0,1,0,0,0,0|1,0,0]=2 287 B18R3.51480 Ic1c[nH]c2c1c(ncn2)N3CCSCC3 WXVL_AN0896LR0005 [0,1,0,0,0,0|1,1,0]=3 288 B18R3.51480 Ic1n[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478PY1247 [0,1,0,0,0,0|2,0,0]=3 289 B18R3.51480 Ic1n[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478PY1247 [0,1,0,0,0,0|2,0,0]=3 290 B18R3.51480 Ic1n[nH]c2c1c(ncn2)N3CCSCC3 WXVL_AN0896PY1247 [0,1,0,0,0,0|2,1,0]=4 291 B16R2.24 CCc1ncnc(c1F)N2CCOCC2 WXVL_AN00478LP0523 [0,0,1,0,0,0|2,0,1]=4 292 B16R2.24 CCc1ncnc(c1F)N2CCOCC2 WXVL_AN00478LP0523 [0,0,1,0,0,0|2,0,1]=4 293 B16R2.24 COc1ncnc(c1C)N2CCOCC2 WXVL_AN00478LP1011 [0,0,1,0,0,0|2,0,1]=4 294 B16R2.24 COc1ncnc(c1C)N2CCOCC2 WXVL_AN00478LP1011 [0,0,1,0,0,0|2,0,1]=4 295 B16R2.94 COCc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP0867 [0,0,1,0,0,0|3,0,0]=4 296 B16R2.94 COCc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP0867 [0,0,1,0,0,0|3,0,0]=4 297 B16R2.4630 COCCN(C)c1ccnc2n1ncc2 WXVL_AN0085LP0018 [0,0,1,0,0,0|3,0,0]=4 298 B16R2.4630 COCCN(C)c1ccnc2n1ncc2 WXVL_AN0085LP0018 [0,0,1,0,0,0|3,0,0]=4 299 B16R2.4630 COCCN(C)c1ncnc2c1CCC2 WXVL_AN0085LP0368 [0,0,1,0,0,0|2,0,1]=4 300 B16R2.4630 COCCN(C)c1ncnc2c1CCC2 WXVL_AN0085LP0368 [0,0,1,0,0,0|2,0,1]=4 301 B16R2.4630 COCCN(C)c1ncnc2c1[nH]cc2 WXVL_AN0085LP0194 [0,0,1,0,0,0|1,0,1]=3 302 B16R2.4630 COCCN(C)c1ncnc2c1[nH]cc2 WXVL_AN0085LP0194 [0,0,1,0,0,0|1,0,1]=3 303 B16R2.4630 COCCN(C)c1ncnc2c1cc[nH]2 WXVL_AN0085LP0055 [0,0,1,0,0,0|1,0,0]=2 304 B16R2.4630 COCCN(C)c1ncnc2c1cc[nH]2 WXVL_AN0085LP0055 [0,0,1,0,0,0|1,0,0]=2 305 B16R2.4630 COCCN(C)c1ncnc2c1cco2 WXVL_AN0085LP0417 [0,0,1,0,0,0|2,0,0]=3 306 B16R2.4630 COCCN(C)c1ncnc2c1cco2 WXVL_AN0085LP0417 [0,0,1,0,0,0|2,0,0]=3 307 B16R2.4630 COCCN(C)c1ncnc2c1ccs2 WXVL_AN0085LP0097 [0,0,1,0,0,0|2,0,0]=3 308 B16R2.4630 COCCN(C)c1ncnc2c1ccs2 WXVL_AN0085LP0097 [0,0,1,0,0,0|2,0,0]=3 309 B16R2.4630 COCCN(C)c1ncnc2c1cn[nH]2 WXVL_AN0085PY0172 [0,0,1,0,0,0|2,0,0]=3 310 B16R2.4630 COCCN(C)c1ncnc2c1cn[nH]2 WXVL_AN0085PY0172 [0,0,1,0,0,0|2,0,0]=3 311 B16R2.4630 COCCN(C)c1ncnc2c1scc2 WXVL_AN0085LP0180 [0,0,1,0,0,0|2,0,0]=3 312 B16R2.4630 COCCN(C)c1ncnc2c1scc2 WXVL_AN0085LP0180 [0,0,1,0,0,0|2,0,0]=3 313 B16R2.4630 COCCN(C)c1ncnn2c1ccc2 WXVL_AN0085LP3349 [0,0,1,0,0,0|3,0,0]=4 314 B16R2.4630 COCCN(C)c1ncnn2c1ccc2 WXVL_AN0085LP3349 [0,0,1,0,0,0|3,0,0]=4 315 B16R2.11632 CCCCCNc1ncnc2c1[nH]cc2 WXVL_AK0076LP0194 [0,0,1,0,0,0|2,0,1]=4 316 B16R2.11632 CCCCCNc1ncnc2c1[nH]cc2 WXVL_AK0076LP0194 [0,0,1,0,0,0|2,0,1]=4 317 B16R2.11632 CCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0076LP0055 [0,0,1,0,0,0|2,0,0]=3 318 B16R2.11632 CCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0076LP0055 [0,0,1,0,0,0|2,0,0]=3 319 B16R2.11632 CCCCCNc1ncnc2c1cco2 WXVL_AK0076LP0417 [0,0,1,0,0,0|3,0,0]=4 320 B16R2.11632 CCCCCNc1ncnc2c1cco2 WXVL_AK0076LP0417 [0,0,1,0,0,0|3,0,0]=4 321 B16R2.11632 CCCCCNc1ncnc2c1ccs2 WXVL_AK0076LP0097 [0,0,1,0,0,0|3,0,0]=4 322 B16R2.11632 CCCCCNc1ncnc2c1ccs2 WXVL_AK0076LP0097 [0,0,1,0,0,0|3,0,0]=4 323 B16R2.11632 CCCCCNc1ncnc2c1cn[nH]2 WXVL_AK0076PY0172 [0,0,1,0,0,0|3,0,0]=4 324 B16R2.11632 CCCCCNc1ncnc2c1cn[nH]2 WXVL_AK0076PY0172 [0,0,1,0,0,0|3,0,0]=4 325 B16R2.11632 CCCCCNc1ncnc2c1scc2 WXVL_AK0076LP0180 [0,0,1,0,0,0|3,0,0]=4 326 B16R2.11632 CCCCCNc1ncnc2c1scc2 WXVL_AK0076LP0180 [0,0,1,0,0,0|3,0,0]=4 327 B16R2.11632 CCSCCNc1ncnc2c1[nH]cc2 WXVL_AK00494LP0194 [0,0,1,0,0,0|1,1,1]=4 328 B16R2.11632 CCSCCNc1ncnc2c1[nH]cc2 WXVL_AK00494LP0194 [0,0,1,0,0,0|1,1,1]=4 329 B16R2.11632 CCSCCNc1ncnc2c1cc[nH]2 WXVL_AK00494LP0055 [0,0,1,0,0,0|1,1,0]=3 330 B16R2.11632 CCSCCNc1ncnc2c1cc[nH]2 WXVL_AK00494LP0055 [0,0,1,0,0,0|1,1,0]=3 331 B16R2.11632 CCSCCNc1ncnc2c1cco2 WXVL_AK00494LP0417 [0,0,1,0,0,0|2,1,0]=4 332 B16R2.11632 CCSCCNc1ncnc2c1cco2 WXVL_AK00494LP0417 [0,0,1,0,0,0|2,1,0]=4 333 B16R2.11632 CCSCCNc1ncnc2c1ccs2 WXVL_AK00494LP0097 [0,0,1,0,0,0|2,1,0]=4 334 B16R2.11632 CCSCCNc1ncnc2c1ccs2 WXVL_AK00494LP0097 [0,0,1,0,0,0|2,1,0]=4 335 B16R2.11632 CCSCCNc1ncnc2c1cn[nH]2 WXVL_AK00494PY0172 [0,0,1,0,0,0|2,1,0]=4 336 B16R2.11632 CCSCCNc1ncnc2c1cn[nH]2 WXVL_AK00494PY0172 [0,0,1,0,0,0|2,1,0]=4 337 B16R2.11632 CCSCCNc1ncnc2c1scc2 WXVL_AK00494LP0180 [0,0,1,0,0,0|2,1,0]=4 338 B16R2.11632 CCSCCNc1ncnc2c1scc2 WXVL_AK00494LP0180 [0,0,1,0,0,0|2,1,0]=4 339 B16R2.11632 COCCCNc1ncnc2c1cc[nH]2 WXVL_AK00637LP0055 [0,0,1,0,0,0|3,0,0]=4 340 B16R2.11632 COCCCNc1ncnc2c1cc[nH]2 WXVL_AK00637LP0055 [0,0,1,0,0,0|3,0,0]=4 341 B16R2.11632 CSCCCNc1ncnc2c1cc[nH]2 WXVL_AK0965LP0055 [0,0,1,0,0,0|3,0,0]=4 342 B16R2.11632 CSCCCNc1ncnc2c1cc[nH]2 WXVL_AK0965LP0055 [0,0,1,0,0,0|3,0,0]=4 343 B16R2.11632 OCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0075LP0055 [0,0,1,0,0,0|3,0,0]=4 344 B16R2.11632 OCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0075LP0055 [0,0,1,0,0,0|3,0,0]=4 345 B16R2.13092 CCN(CCO)c1ccnc2n1ncc2 WXVL_AN3174LP0018 [0,0,1,0,0,0|3,0,0]=4 346 B16R2.13092 CCN(CCO)c1ncnc2c1CCC2 WXVL_AN3174LP0368 [0,0,1,0,0,0|2,0,1]=4 347 B16R2.13092 CCN(CCO)c1ncnc2c1[nH]cc2 WXVL_AN3174LP0194 [0,0,1,0,0,0|1,0,1]=3 348 B16R2.13092 CCN(CCO)c1ncnc2c1cc[nH]2 WXVL_AN3174LP0055 [0,0,1,0,0,0|1,0,0]=2 349 B16R2.13092 CCN(CCO)c1ncnc2c1cco2 WXVL_AN3174LP0417 [0,0,1,0,0,0|2,0,0]=3 350 B16R2.13092 CCN(CCO)c1ncnc2c1ccs2 WXVL_AN3174LP0097 [0,0,1,0,0,0|2,0,0]=3 351 B16R2.13092 CCN(CCO)c1ncnc2c1cn[nH]2 WXVL_AN3174PY0172 [0,0,1,0,0,0|2,0,0]=3 352 B16R2.13092 CCN(CCO)c1ncnc2c1scc2 WXVL_AN3174LP0180 [0,0,1,0,0,0|2,0,0]=3 353 B16R2.13092 CCN(CCO)c1ncnn2c1ccc2 WXVL_AN3174LP3349 [0,0,1,0,0,0|3,0,0]=4 354 B18R4.12805 c1nc(c2[nH]ccc2n1)N3CC4CC4C3 WXVL_AN00158LP0194 [0,0,0,1,0,0|2,0,1]=4 355 B18R4.12805 c1nc(c2[nH]ccc2n1)N3CC4CC4C3 WXVL_AN00158LP0194 [0,0,0,1,0,0|2,0,1]=4 356 B18R4.12805 c1nc(c2cc[nH]c2n1)N3CC4CC4C3 WXVL_AN00158LP0055 [0,0,0,1,0,0|2,0,0]=3 357 B18R4.12805 c1nc(c2cc[nH]c2n1)N3CC4CC4C3 WXVL_AN00158LP0055 [0,0,0,1,0,0|2,0,0]=3 358 B18R4.12805 c1nc(c2ccoc2n1)N3CC4CC4C3 WXVL_AN00158LP0417 [0,0,0,1,0,0|3,0,0]=4 359 B18R4.12805 c1nc(c2ccoc2n1)N3CC4CC4C3 WXVL_AN00158LP0417 [0,0,0,1,0,0|3,0,0]=4 360 B18R4.12805 c1nc(c2ccsc2n1)N3CC4CC4C3 WXVL_AN00158LP0097 [0,0,0,1,0,0|3,0,0]=4 361 B18R4.12805 c1nc(c2ccsc2n1)N3CC4CC4C3 WXVL_AN00158LP0097 [0,0,0,1,0,0|3,0,0]=4 362 B18R4.12805 c1nc(c2cn[nH]c2n1)N3CC4CC4C3 WXVL_AN00158PY0172 [0,0,0,1,0,0|3,0,0]=4 363 B18R4.12805 c1nc(c2cn[nH]c2n1)N3CC4CC4C3 WXVL_AN00158PY0172 [0,0,0,1,0,0|3,0,0]=4 364 B18R4.12805 c1nc(c2sccc2n1)N3CC4CC4C3 WXVL_AN00158LP0180 [0,0,0,1,0,0|3,0,0]=4 365 B18R4.12805 c1nc(c2sccc2n1)N3CC4CC4C3 WXVL_AN00158LP0180 [0,0,0,1,0,0|3,0,0]=4 366 B16R3.5924 c1cc(n2nccc2n1)N3CCCC3 WXVL_AN0008LP0018 [0,0,0,0,1,0|3,0,0]=4 367 B16R3.5924 c1cc(n2nccc2n1)N3CCCC3 WXVL_AN0008LP0018 [0,0,0,0,1,0|3,0,0]=4 368 B16R3.5924 c1cc2c(ncnn2c1)N3CCCC3 WXVL_AN0008LP3349 [0,0,0,0,1,0|3,0,0]=4 369 B16R3.5924 c1cc2c(ncnn2c1)N3CCCC3 WXVL_AN0008LP3349 [0,0,0,0,1,0|3,0,0]=4 370 B16R3.5924 c1nc(c2[nH]ccc2n1)N3CCCC3 WXVL_AN0008LP0194 [0,0,0,0,1,0|1,0,1]=3 371 B16R3.5924 c1nc(c2[nH]ccc2n1)N3CCCC3 WXVL_AN0008LP0194 [0,0,0,0,1,0|1,0,1]=3 372 B16R3.5924 c1nc(c2cc[nH]c2n1)N3CCCC3 WXVL_AN0008LP0055 [0,0,0,0,1,0|1,0,0]=2 373 B16R3.5924 c1nc(c2cc[nH]c2n1)N3CCCC3 WXVL_AN0008LP0055 [0,0,0,0,1,0|1,0,0]=2 374 B16R3.5924 c1nc(c2ccoc2n1)N3CCCC3 WXVL_AN0008LP0417 [0,0,0,0,1,0|2,0,0]=3 375 B16R3.5924 c1nc(c2ccoc2n1)N3CCCC3 WXVL_AN0008LP0417 [0,0,0,0,1,0|2,0,0]=3 376 B16R3.5924 c1nc(c2ccsc2n1)N3CCCC3 WXVL_AN0008LP0097 [0,0,0,0,1,0|2,0,0]=3 377 B16R3.5924 c1nc(c2ccsc2n1)N3CCCC3 WXVL_AN0008LP0097 [0,0,0,0,1,0|2,0,0]=3 378 B16R3.5924 c1nc(c2cn[nH]c2n1)N3CCCC3 WXVL_AN0008PY0172 [0,0,0,0,1,0|2,0,0]=3 379 B16R3.5924 c1nc(c2cn[nH]c2n1)N3CCCC3 WXVL_AN0008PY0172 [0,0,0,0,1,0|2,0,0]=3 380 B16R3.5924 c1nc(c2sccc2n1)N3CCCC3 WXVL_AN0008LP0180 [0,0,0,0,1,0|2,0,0]=3 381 B16R3.5924 c1nc(c2sccc2n1)N3CCCC3 WXVL_AN0008LP0180 [0,0,0,0,1,0|2,0,0]=3 382 B16R3.5924 c1nc2c(c(n1)N3CCCC3)CCC2 WXVL_AN0008LP0368 [0,0,0,0,1,0|2,0,1]=4 383 B16R3.5924 c1nc2c(c(n1)N3CCCC3)CCC2 WXVL_AN0008LP0368 [0,0,0,0,1,0|2,0,1]=4 384 B18R3.2108 c1cc2c(ncnc2cn1)N3CCOCC3 WXVL_AN00478LP0471 [0,0,0,0,0,1|1,0,1]=3 385 B18R3.2108 c1cc2c(ncnc2cn1)N3CCOCC3 WXVL_AN00478LP0471 [0,0,0,0,0,1|1,0,1]=3 386 B18R3.2108 c1cc2c(ncnc2cn1)N3CCSCC3 WXVL_AN0896LP0471 [0,0,0,0,0,1|1,1,1]=4 387 B18R3.2108 c1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP0257 [0,0,0,0,0,1|2,0,0]=3 388 B18R3.2108 c1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP0257 [0,0,0,0,0,1|2,0,0]=3 389 B18R3.2108 c1ccc2c(ncnc2c1)N3CCSCC3 WXVL_AN0896LP0257 [0,0,0,0,0,1|2,1,0]=4 390 B18R3.2108 c1cnc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP0411 [0,0,0,0,0,1|1,0,0]=2 391 B18R3.2108 c1cnc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP0411 [0,0,0,0,0,1|1,0,0]=2 392 B18R3.2108 c1cnc2c(ncnc2c1)N3CCSCC3 WXVL_AN0896LP0411 [0,0,0,0,0,1|1,1,0]=3 393 B18R3.2108 c1nc2c(c(n1)N3CCOCC3)CCCC2 WXVL_AN00478LP0945 [0,0,0,0,0,1|2,0,1]=4 394 B18R3.2108 c1nc2c(c(n1)N3CCOCC3)CCCC2 WXVL_AN00478LP0945 [0,0,0,0,0,1|2,0,1]=4 395 B18R3.2115 c1nc(c2cc[nH]c2n1)NC3CCCCC3 WXVL_AK00480LP0055 [0,0,0,0,0,1|3,0,0]=4 396 B18R3.2115 c1nc(c2cc[nH]c2n1)NC3CCCCC3 WXVL_AK00480LP0055 [0,0,0,0,0,1|3,0,0]=4 397 B18R3.1440748 c1cc(n2nccc2n1)N3CCCOCC3 WXVL_AN00350LP0018 [0,0,0,0,0,1|3,0,0]=4 398 B18R3.1440748 c1cc(n2nccc2n1)N3CCCOCC3 WXVL_AN00350LP0018 [0,0,0,0,0,1|3,0,0]=4 399 B18R3.1440748 c1cc2c(ncnn2c1)N3CCCOCC3 WXVL_AN00350LP3349 [0,0,0,0,0,1|3,0,0]=4 400 B18R3.1440748 c1cc2c(ncnn2c1)N3CCCOCC3 WXVL_AN00350LP3349 [0,0,0,0,0,1|3,0,0]=4 401 B18R3.1440748 c1nc(c2[nH]ccc2n1)N3CCCOCC3 WXVL_AN00350LP0194 [0,0,0,0,0,1|1,0,1]=3 402 B18R3.1440748 c1nc(c2[nH]ccc2n1)N3CCCOCC3 WXVL_AN00350LP0194 [0,0,0,0,0,1|1,0,1]=3 403 B18R3.1440748 c1nc(c2cc[nH]c2n1)N3CCCOCC3 WXVL_AN00350LP0055 [0,0,0,0,0,1|1,0,0]=2 404 B18R3.1440748 c1nc(c2cc[nH]c2n1)N3CCCOCC3 WXVL_AN00350LP0055 [0,0,0,0,0,1|1,0,0]=2 405 B18R3.1440748 c1nc(c2ccoc2n1)N3CCCOCC3 WXVL_AN00350LP0417 [0,0,0,0,0,1|2,0,0]=3 406 B18R3.1440748 c1nc(c2ccoc2n1)N3CCCOCC3 WXVL_AN00350LP0417 [0,0,0,0,0,1|2,0,0]=3 407 B18R3.1440748 c1nc(c2ccsc2n1)N3CCCOCC3 WXVL_AN00350LP0097 [0,0,0,0,0,1|2,0,0]=3 408 B18R3.1440748 c1nc(c2ccsc2n1)N3CCCOCC3 WXVL_AN00350LP0097 [0,0,0,0,0,1|2,0,0]=3 409 B18R3.1440748 c1nc(c2cn[nH]c2n1)N3CCCOCC3 WXVL_AN00350PY0172 [0,0,0,0,0,1|2,0,0]=3 410 B18R3.1440748 c1nc(c2cn[nH]c2n1)N3CCCOCC3 WXVL_AN00350PY0172 [0,0,0,0,0,1|2,0,0]=3 411 B18R3.1440748 c1nc(c2sccc2n1)N3CCCOCC3 WXVL_AN00350LP0180 [0,0,0,0,0,1|2,0,0]=3 412 B18R3.1440748 c1nc(c2sccc2n1)N3CCCOCC3 WXVL_AN00350LP0180 [0,0,0,0,0,1|2,0,0]=3 413 B18R3.1440748 c1nc2c(c(n1)N3CCCOCC3)CCC2 WXVL_AN00350LP0368 [0,0,0,0,0,1|2,0,1]=4 414 B18R3.1440748 c1nc2c(c(n1)N3CCCOCC3)CCC2 WXVL_AN00350LP0368 [0,0,0,0,0,1|2,0,1]=4 415 B15R2.17 COc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP0072 [1,0,1,0,0,0|1,0,1]=4 416 B15R2.17 COc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP0072 [1,0,1,0,0,0|1,0,1]=4 417 B15R2.17 CSc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP0441 [1,0,1,0,0,0|1,0,1]=4 418 B15R2.17 CSc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP0441 [1,0,1,0,0,0|1,0,1]=4 419 B15R2.17 N#Cc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP1065 [1,0,1,0,0,0|0,0,2]=4 420 B15R2.17 N#Cc1cc(ncn1)N2CCOCC2 WXVL_AN00478LP1065 [1,0,1,0,0,0|0,0,2]=4 421 B15R2.32 Cc1ncnc(c1Br)N2CCOCC2 WXVL_AN00478LQ2336 [1,0,1,0,0,0|1,0,1]=4 422 B15R2.32 Cc1ncnc(c1Br)N2CCOCC2 WXVL_AN00478LQ2336 [1,0,1,0,0,0|1,0,1]=4 423 B15R2.21 COc1cncnc1N2CCOCC2 WXVL_AN00478LP0652 [1,0,1,0,0,0|1,0,1]=4 424 B15R2.21 COc1cncnc1N2CCOCC2 WXVL_AN00478LP0652 [1,0,1,0,0,0|1,0,1]=4 425 B15R2.21 N#Cc1cncnc1N2CCOCC2 WXVL_AN00478LP1249 [1,0,1,0,0,0|0,0,2]=4 426 B15R2.21 N#Cc1cncnc1N2CCOCC2 WXVL_AN00478LP1249 [1,0,1,0,0,0|0,0,2]=4 427 B15R2.4278 CCCCNc1ncnc2c1[nH]cc2 WXVL_AK00588LP0194 [1,0,1,0,0,0|1,0,1]=4 428 B15R2.4278 CCCCNc1ncnc2c1[nH]cc2 WXVL_AK00588LP0194 [1,0,1,0,0,0|1,0,1]=4 429 B15R2.4278 CCCCNc1ncnc2c1cc[nH]2 WXVL_AK00588LP0055 [1,0,1,0,0,0|1,0,0]=3 430 B15R2.4278 CCCCNc1ncnc2c1cc[nH]2 WXVL_AK00588LP0055 [1,0,1,0,0,0|1,0,0]=3 431 B15R2.4278 CCCCNc1ncnc2c1cco2 WXVL_AK00588LP0417 [1,0,1,0,0,0|2,0,0]=4 432 B15R2.4278 CCCCNc1ncnc2c1cco2 WXVL_AK00588LP0417 [1,0,1,0,0,0|2,0,0]=4 433 B15R2.4278 CCCCNc1ncnc2c1ccs2 WXVL_AK00588LP0097 [1,0,1,0,0,0|2,0,0]=4 434 B15R2.4278 CCCCNc1ncnc2c1ccs2 WXVL_AK00588LP0097 [1,0,1,0,0,0|2,0,0]=4 435 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 WXVL_AK00588PY0172 [1,0,1,0,0,0|2,0,0]=4 436 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 WXVL_AK00588PY0172 [1,0,1,0,0,0|2,0,0]=4 437 B15R2.4278 CCCCNc1ncnc2c1scc2 WXVL_AK00588LP0180 [1,0,1,0,0,0|2,0,0]=4 438 B15R2.4278 CCCCNc1ncnc2c1scc2 WXVL_AK00588LP0180 [1,0,1,0,0,0|2,0,0]=4 439 B15R2.4278 CSCCNc1ncnc2c1cc[nH]2 WXVL_AK00440LP0055 [1,0,1,0,0,0|1,1,0]=4 440 B15R2.4278 CSCCNc1ncnc2c1cc[nH]2 WXVL_AK00440LP0055 [1,0,1,0,0,0|1,1,0]=4 441 B15R2.4278 OCCCNc1ncnc2c1cc[nH]2 WXVL_AK0073LP0055 [1,0,1,0,0,0|2,0,0]=4 442 B15R2.4278 OCCCNc1ncnc2c1cc[nH]2 WXVL_AK0073LP0055 [1,0,1,0,0,0|2,0,0]=4 443 B15R2.17340 CN(CCO)c1ncnc2c1[nH]cc2 WXVL_AN2670LP0194 [1,0,1,0,0,0|1,0,1]=4 444 B15R2.17340 CN(CCO)c1ncnc2c1[nH]cc2 WXVL_AN2670LP0194 [1,0,1,0,0,0|1,0,1]=4 445 B15R2.17340 CN(CCO)c1ncnc2c1cc[nH]2 WXVL_AN2670LP0055 [1,0,1,0,0,0|1,0,0]=3 446 B15R2.17340 CN(CCO)c1ncnc2c1cc[nH]2 WXVL_AN2670LP0055 [1,0,1,0,0,0|1,0,0]=3 447 B15R2.17340 CN(CCO)c1ncnc2c1cco2 WXVL_AN2670LP0417 [1,0,1,0,0,0|2,0,0]=4 448 B15R2.17340 CN(CCO)c1ncnc2c1cco2 WXVL_AN2670LP0417 [1,0,1,0,0,0|2,0,0]=4 449 B15R2.17340 CN(CCO)c1ncnc2c1ccs2 WXVL_AN2670LP0097 [1,0,1,0,0,0|2,0,0]=4 450 B15R2.17340 CN(CCO)c1ncnc2c1ccs2 WXVL_AN2670LP0097 [1,0,1,0,0,0|2,0,0]=4 451 B15R2.17340 CN(CCO)c1ncnc2c1cn[nH]2 WXVL_AN2670PY0172 [1,0,1,0,0,0|2,0,0]=4 452 B15R2.17340 CN(CCO)c1ncnc2c1cn[nH]2 WXVL_AN2670PY0172 [1,0,1,0,0,0|2,0,0]=4 453 B15R2.17340 CN(CCO)c1ncnc2c1scc2 WXVL_AN2670LP0180 [1,0,1,0,0,0|2,0,0]=4 454 B15R2.17340 CN(CCO)c1ncnc2c1scc2 WXVL_AN2670LP0180 [1,0,1,0,0,0|2,0,0]=4 455 B15R2.15972 CCN(CC)c1ncnc2c1[nH]cc2 WXVL_AN0042LP0194 [1,0,1,0,0,0|1,0,1]=4 456 B15R2.15972 CCN(CC)c1ncnc2c1[nH]cc2 WXVL_AN0042LP0194 [1,0,1,0,0,0|1,0,1]=4 457 B15R2.15972 CCN(CC)c1ncnc2c1cc[nH]2 WXVL_AN0042LP0055 [1,0,1,0,0,0|1,0,0]=3 458 B15R2.15972 CCN(CC)c1ncnc2c1cc[nH]2 WXVL_AN0042LP0055 [1,0,1,0,0,0|1,0,0]=3 459 B15R2.15972 CCN(CC)c1ncnc2c1cco2 WXVL_AN0042LP0417 [1,0,1,0,0,0|2,0,0]=4 460 B15R2.15972 CCN(CC)c1ncnc2c1cco2 WXVL_AN0042LP0417 [1,0,1,0,0,0|2,0,0]=4 461 B15R2.15972 CCN(CC)c1ncnc2c1ccs2 WXVL_AN0042LP0097 [1,0,1,0,0,0|2,0,0]=4 462 B15R2.15972 CCN(CC)c1ncnc2c1ccs2 WXVL_AN0042LP0097 [1,0,1,0,0,0|2,0,0]=4 463 B15R2.15972 CCN(CC)c1ncnc2c1cn[nH]2 WXVL_AN0042PY0172 [1,0,1,0,0,0|2,0,0]=4 464 B15R2.15972 CCN(CC)c1ncnc2c1cn[nH]2 WXVL_AN0042PY0172 [1,0,1,0,0,0|2,0,0]=4 465 B15R2.15972 CCN(CC)c1ncnc2c1scc2 WXVL_AN0042LP0180 [1,0,1,0,0,0|2,0,0]=4 466 B15R2.15972 CCN(CC)c1ncnc2c1scc2 WXVL_AN0042LP0180 [1,0,1,0,0,0|2,0,0]=4 467 B17R2.150 CCNc1cc(nc(n1)C)N2CCOCC2 WXVL_AK00476LP0317 [0,1,1,0,0,0|1,0,1]=4 468 B17R2.150 CCNc1cc(nc(n1)C)N2CCOCC2 WXVL_AK00476LP0317 [0,1,1,0,0,0|1,0,1]=4 469 B17R2.247 CC(=O)Nc1cc(ccn1)N2CCOCC2 WXVL_AF3946SB0150 [0,1,1,0,0,0|2,0,0]=4 470 B17R2.247 CC(=O)Nc1cc(ccn1)N2CCOCC2 WXVL_AF3946SB0150 [0,1,1,0,0,0|2,0,0]=4 471 B17R2.247 CC(=O)Nc1cc(ncn1)N2CCCCC2 WXVL_AF1294SB0150 [0,1,1,0,0,0|2,0,0]=4 472 B17R2.247 CC(=O)Nc1cc(ncn1)N2CCCCC2 WXVL_AF1294SB0150 [0,1,1,0,0,0|2,0,0]=4 473 B17R2.247 CC(=O)Nc1cc(ncn1)N2CCOCC2 WXVL_AF0709SB0150 [0,1,1,0,0,0|1,0,0]=3 474 B17R2.247 CC(=O)Nc1cc(ncn1)N2CCOCC2 WXVL_AF0709SB0150 [0,1,1,0,0,0|1,0,0]=3 475 B17R2.247 CC(=O)Nc1ccnc(c1)N2CCOCC2 WXVL_AF1323SB0150 [0,1,1,0,0,0|2,0,0]=4 476 B17R2.247 CC(=O)Nc1ccnc(c1)N2CCOCC2 WXVL_AF1323SB0150 [0,1,1,0,0,0|2,0,0]=4 477 B17R2.74638 COCCN(C)c1ncnc2c1[nH]cc2Br WXVL_AN0085LR0529 [0,1,1,0,0,0|1,0,1]=4 478 B17R2.74638 COCCN(C)c1ncnc2c1[nH]cc2Br WXVL_AN0085LR0529 [0,1,1,0,0,0|1,0,1]=4 479 B17R2.74638 COCCN(C)c1ncnc2c1ccn2C WXVL_AN0085LP0456 [0,1,1,0,0,0|1,0,0]=3 480 B17R2.74638 COCCN(C)c1ncnc2c1ccn2C WXVL_AN0085LP0456 [0,1,1,0,0,0|1,0,0]=3 481 B17R2.74638 COCCN(C)c1ncnc2c1cnn2C WXVL_AN0085LP3353 [0,1,1,0,0,0|2,0,0]=4 482 B17R2.74638 COCCN(C)c1ncnc2c1cnn2C WXVL_AN0085LP3353 [0,1,1,0,0,0|2,0,0]=4 483 B17R2.74638 COCCN(C)c1ncnc2c1ncn2C WXVL_AN0085LP0352 [0,1,1,0,0,0|0,0,0]=2 484 B17R2.74638 COCCN(C)c1ncnc2c1ncn2C WXVL_AN0085LP0352 [0,1,1,0,0,0|0,0,0]=2 485 B17R2.74638 COCCN(C)c1ncnc2c1scc2Br WXVL_AN0085LR0532 [0,1,1,0,0,0|2,0,0]=4 486 B17R2.74638 COCCN(C)c1ncnc2c1scc2Br WXVL_AN0085LR0532 [0,1,1,0,0,0|2,0,0]=4 487 B17R2.74638 COCCN(C)c1ncnc2c1scc2C WXVL_AN0085LP0636 [0,1,1,0,0,0|2,0,0]=4 488 B17R2.74638 COCCN(C)c1ncnc2c1scc2C WXVL_AN0085LP0636 [0,1,1,0,0,0|2,0,0]=4 489 B17R2.74646 COCCN(C)c1ncnc2c1CC(=O)N2 WXVL_AN0085LP0135 [0,1,1,0,0,0|1,0,0]=3 490 B17R2.74646 COCCN(C)c1ncnc2c1CC(=O)N2 WXVL_AN0085LP0135 [0,1,1,0,0,0|1,0,0]=3 491 B17R2.74646 COCCN(C)c1ncnc2c1cc([nH]2)Br WXVL_AN0085LR0533 [0,1,1,0,0,0|1,0,0]=3 492 B17R2.74646 COCCN(C)c1ncnc2c1cc([nH]2)Br WXVL_AN0085LR0533 [0,1,1,0,0,0|1,0,0]=3 493 B17R2.74646 COCCN(C)c1ncnc2c1cc([nH]2)C WXVL_AN0085LP0780 [0,1,1,0,0,0|1,0,0]=3 494 B17R2.74646 COCCN(C)c1ncnc2c1cc([nH]2)C WXVL_AN0085LP0780 [0,1,1,0,0,0|1,0,0]=3 495 B17R2.74646 COCCN(C)c1ncnc2c1cc(s2)Br WXVL_AN0085LR0544 [0,1,1,0,0,0|2,0,0]=4 496 B17R2.74646 COCCN(C)c1ncnc2c1cc(s2)Br WXVL_AN0085LR0544 [0,1,1,0,0,0|2,0,0]=4 497 B17R2.74646 COCCN(C)c1ncnc2c1nc([nH]2)C WXVL_AN0085LP3356 [0,1,1,0,0,0|0,0,0]=2 498 B17R2.74646 COCCN(C)c1ncnc2c1nc([nH]2)C WXVL_AN0085LP3356 [0,1,1,0,0,0|0,0,0]=2 499 B17R2.74646 COCCN(C)c1ncnc2c1sc(c2)Br WXVL_AN0085LR0534 [0,1,1,0,0,0|2,0,0]=4 500 B17R2.74646 COCCN(C)c1ncnc2c1sc(c2)Br WXVL_AN0085LR0534 [0,1,1,0,0,0|2,0,0]=4 501 B17R2.74646 COCCN(C)c1ncnc2c1sc(c2)I WXVL_AN0085LR0012 [0,1,1,0,0,0|2,0,0]=4 502 B17R2.74646 COCCN(C)c1ncnc2c1sc(c2)I WXVL_AN0085LR0012 [0,1,1,0,0,0|2,0,0]=4 503 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C WXVL_AN0085LP0065 [0,1,1,0,0,0|1,0,0]=3 504 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C WXVL_AN0085LP0065 [0,1,1,0,0,0|1,0,0]=3 505 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)I WXVL_AN0085LR0005 [0,1,1,0,0,0|1,0,0]=3 506 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)I WXVL_AN0085LR0005 [0,1,1,0,0,0|1,0,0]=3 507 B17R2.74647 COCCN(C)c1ncnc2c1c(cs2)Br WXVL_AN0085LR0445 [0,1,1,0,0,0|2,0,0]=4 508 B17R2.74647 COCCN(C)c1ncnc2c1c(cs2)C WXVL_AN0085LP0115 [0,1,1,0,0,0|2,0,0]=4 509 B17R2.74647 COCCN(C)c1ncnc2c1c(cs2)C WXVL_AN0085LP0115 [0,1,1,0,0,0|2,0,0]=4 510 B17R2.74647 COCCN(C)c1ncnc2c1c(n[nH]2)I WXVL_AN0085PY1247 [0,1,1,0,0,0|2,0,0]=4 511 B17R2.74647 COCCN(C)c1ncnc2c1c(n[nH]2)I WXVL_AN0085PY1247 [0,1,1,0,0,0|2,0,0]=4 512 B17R2.74647 COCCN(C)c1ncnc2c1n(cn2)C WXVL_AN0085LP0517 [0,1,1,0,0,0|0,0,2]=4 513 B17R2.74647 COCCN(C)c1ncnc2c1n(cn2)C WXVL_AN0085LP0517 [0,1,1,0,0,0|0,0,2]=4 514 B17R2.74682 COCCN(C)c1nc(nc2c1cn[nH]2)C WXVL_AN0085PY0466 [0,1,1,0,0,0|2,0,0]=4 515 B17R2.74682 COCCN(C)c1nc(nc2c1cn[nH]2)C WXVL_AN0085PY0466 [0,1,1,0,0,0|2,0,0]=4 516 B17R2.74682 COCCN(C)c1nc(nc2c1scc2)C WXVL_AN0085LP0092 [0,1,1,0,0,0|2,0,0]=4 517 B17R2.74682 COCCN(C)c1nc(nc2c1scc2)C WXVL_AN0085LP0092 [0,1,1,0,0,0|2,0,0]=4 518 B17R2.90971 CN(C)CCN(C)c1ncnc2c1cc[nH]2 WXVL_AN0052LP0055 [0,1,1,0,0,0|2,0,0]=4 519 B17R2.90971 CN(C)CCN(C)c1ncnc2c1cc[nH]2 WXVL_AN0052LP0055 [0,1,1,0,0,0|2,0,0]=4 520 B17R2.10878 C#CCOCCNc1ncnc2c1cc[nH]2 WXVL_AK00687LP0055 [0,1,1,0,0,0|1,0,1]=4 521 B17R2.10878 C#CCOCCNc1ncnc2c1cc[nH]2 WXVL_AK00687LP0055 [0,1,1,0,0,0|1,0,1]=4 522 B17R2.10878 CCCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0286LP0055 [0,1,1,0,0,0|2,0,0]=4 523 B17R2.10878 CCCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0286LP0055 [0,1,1,0,0,0|2,0,0]=4 524 B17R2.10878 CCOCCCNc1ncnc2c1[nH]cc2 WXVL_AK0072LP0194 [0,1,1,0,0,0|1,0,1]=4 525 B17R2.10878 CCOCCCNc1ncnc2c1[nH]cc2 WXVL_AK0072LP0194 [0,1,1,0,0,0|1,0,1]=4 526 B17R2.10878 CCOCCCNc1ncnc2c1cc[nH]2 WXVL_AK0072LP0055 [0,1,1,0,0,0|1,0,0]=3 527 B17R2.10878 CCOCCCNc1ncnc2c1cc[nH]2 WXVL_AK0072LP0055 [0,1,1,0,0,0|1,0,0]=3 528 B17R2.10878 CCOCCCNc1ncnc2c1cco2 WXVL_AK0072LP0417 [0,1,1,0,0,0|2,0,0]=4 529 B17R2.10878 CCOCCCNc1ncnc2c1cco2 WXVL_AK0072LP0417 [0,1,1,0,0,0|2,0,0]=4 530 B17R2.10878 CCOCCCNc1ncnc2c1ccs2 WXVL_AK0072LP0097 [0,1,1,0,0,0|2,0,0]=4 531 B17R2.10878 CCOCCCNc1ncnc2c1ccs2 WXVL_AK0072LP0097 [0,1,1,0,0,0|2,0,0]=4 532 B17R2.10878 CCOCCCNc1ncnc2c1cn[nH]2 WXVL_AK0072PY0172 [0,1,1,0,0,0|2,0,0]=4 533 B17R2.10878 CCOCCCNc1ncnc2c1cn[nH]2 WXVL_AK0072PY0172 [0,1,1,0,0,0|2,0,0]=4 534 B17R2.10878 CCOCCCNc1ncnc2c1scc2 WXVL_AK0072LP0180 [0,1,1,0,0,0|2,0,0]=4 535 B17R2.10878 CCOCCCNc1ncnc2c1scc2 WXVL_AK0072LP0180 [0,1,1,0,0,0|2,0,0]=4 536 B17R2.10878 OCCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0077LP0055 [0,1,1,0,0,0|2,0,0]=4 537 B17R2.10878 OCCCCCNc1ncnc2c1cc[nH]2 WXVL_AK0077LP0055 [0,1,1,0,0,0|2,0,0]=4 538 B17R2.10878 OCCNCCNc1ncnc2c1cc[nH]2 WXVL_AK0954LP0055 [0,1,1,0,0,0|2,0,0]=4 539 B17R2.10878 OCCNCCNc1ncnc2c1cc[nH]2 WXVL_AK0954LP0055 [0,1,1,0,0,0|2,0,0]=4 540 B17R2.19045 CCCCCNc1ncnc2c1ccn2C WXVL_AK0076LP0456 [0,1,1,0,0,0|2,0,0]=4 541 B17R2.19045 CCCCCNc1ncnc2c1ccn2C WXVL_AK0076LP0456 [0,1,1,0,0,0|2,0,0]=4 542 B17R2.19045 CCCCCNc1ncnc2c1ncn2C WXVL_AK0076LP0352 [0,1,1,0,0,0|1,0,0]=3 543 B17R2.19045 CCCCCNc1ncnc2c1ncn2C WXVL_AK0076LP0352 [0,1,1,0,0,0|1,0,0]=3 544 B17R2.19045 CCSCCNc1ncnc2c1ccn2C WXVL_AK00494LP0456 [0,1,1,0,0,0|1,1,0]=4 545 B17R2.19045 CCSCCNc1ncnc2c1ccn2C WXVL_AK00494LP0456 [0,1,1,0,0,0|1,1,0]=4 546 B17R2.19045 CCSCCNc1ncnc2c1ncn2C WXVL_AK00494LP0352 [0,1,1,0,0,0|0,1,0]=3 547 B17R2.19045 CCSCCNc1ncnc2c1ncn2C WXVL_AK00494LP0352 [0,1,1,0,0,0|0,1,0]=3 548 B17R2.19045 COCCCNc1ncnc2c1ncn2C WXVL_AK00637LP0352 [0,1,1,0,0,0|2,0,0]=4 549 B17R2.19045 COCCCNc1ncnc2c1ncn2C WXVL_AK00637LP0352 [0,1,1,0,0,0|2,0,0]=4 550 B17R2.19045 CSCCCNc1ncnc2c1ncn2C WXVL_AK0965LP0352 [0,1,1,0,0,0|2,0,0]=4 551 B17R2.19045 CSCCCNc1ncnc2c1ncn2C WXVL_AK0965LP0352 [0,1,1,0,0,0|2,0,0]=4 552 B17R2.19045 Cn1cnc2c1ncnc2NCCCCO WXVL_AK0075LP0352 [0,1,1,0,0,0|2,0,0]=4 553 B17R2.19045 Cn1cnc2c1ncnc2NCCCCO WXVL_AK0075LP0352 [0,1,1,0,0,0|2,0,0]=4 554 B17R2.19053 CCCCCNc1ncnc2c1CC(=O)N2 WXVL_AK0076LP0135 [0,1,1,0,0,0|2,0,0]=4 555 B17R2.19053 CCCCCNc1ncnc2c1CC(=O)N2 WXVL_AK0076LP0135 [0,1,1,0,0,0|2,0,0]=4 556 B17R2.19053 CCCCCNc1ncnc2c1cc([nH]2)Br WXVL_AK0076LR0533 [0,1,1,0,0,0|2,0,0]=4 557 B17R2.19053 CCCCCNc1ncnc2c1cc([nH]2)Br WXVL_AK0076LR0533 [0,1,1,0,0,0|2,0,0]=4 558 B17R2.19053 CCCCCNc1ncnc2c1cc([nH]2)C WXVL_AK0076LP0780 [0,1,1,0,0,0|2,0,0]=4 559 B17R2.19053 CCCCCNc1ncnc2c1cc([nH]2)C WXVL_AK0076LP0780 [0,1,1,0,0,0|2,0,0]=4 560 B17R2.19053 CCCCCNc1ncnc2c1nc([nH]2)C WXVL_AK0076LP3356 [0,1,1,0,0,0|1,0,0]=3 561 B17R2.19053 CCCCCNc1ncnc2c1nc([nH]2)C WXVL_AK0076LP3356 [0,1,1,0,0,0|1,0,0]=3 562 B17R2.19053 CCSCCNc1ncnc2c1CC(=O)N2 WXVL_AK00494LP0135 [0,1,1,0,0,0|1,1,0]=4 563 B17R2.19053 CCSCCNc1ncnc2c1CC(=O)N2 WXVL_AK00494LP0135 [0,1,1,0,0,0|1,1,0]=4 564 B17R2.19053 CCSCCNc1ncnc2c1cc([nH]2)Br WXVL_AK00494LR0533 [0,1,1,0,0,0|1,1,0]=4 565 B17R2.19053 CCSCCNc1ncnc2c1cc([nH]2)Br WXVL_AK00494LR0533 [0,1,1,0,0,0|1,1,0]=4 566 B17R2.19053 CCSCCNc1ncnc2c1cc([nH]2)C WXVL_AK00494LP0780 [0,1,1,0,0,0|1,1,0]=4 567 B17R2.19053 CCSCCNc1ncnc2c1cc([nH]2)C WXVL_AK00494LP0780 [0,1,1,0,0,0|1,1,0]=4 568 B17R2.19053 CCSCCNc1ncnc2c1nc([nH]2)C WXVL_AK00494LP3356 [0,1,1,0,0,0|0,1,0]=3 569 B17R2.19053 CCSCCNc1ncnc2c1nc([nH]2)C WXVL_AK00494LP3356 [0,1,1,0,0,0|0,1,0]=3 570 B17R2.19053 COCCCNc1ncnc2c1nc([nH]2)C WXVL_AK00637LP3356 [0,1,1,0,0,0|2,0,0]=4 571 B17R2.19053 COCCCNc1ncnc2c1nc([nH]2)C WXVL_AK00637LP3356 [0,1,1,0,0,0|2,0,0]=4 572 B17R2.19053 CSCCCNc1ncnc2c1nc([nH]2)C WXVL_AK0965LP3356 [0,1,1,0,0,0|2,0,0]=4 573 B17R2.19053 CSCCCNc1ncnc2c1nc([nH]2)C WXVL_AK0965LP3356 [0,1,1,0,0,0|2,0,0]=4 574 B17R2.19053 Cc1nc2c(ncnc2[nH]1)NCCCCO WXVL_AK0075LP3356 [0,1,1,0,0,0|2,0,0]=4 575 B17R2.19053 Cc1nc2c(ncnc2[nH]1)NCCCCO WXVL_AK0075LP3356 [0,1,1,0,0,0|2,0,0]=4 576 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK0076LP0065 [0,1,1,0,0,0|2,0,0]=4 577 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK0076LP0065 [0,1,1,0,0,0|2,0,0]=4 578 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0076LR0005 [0,1,1,0,0,0|2,0,0]=4 579 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0076LR0005 [0,1,1,0,0,0|2,0,0]=4 580 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00494LP0065 [0,1,1,0,0,0|1,1,0]=4 581 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00494LP0065 [0,1,1,0,0,0|1,1,0]=4 582 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00494LR0005 [0,1,1,0,0,0|1,1,0]=4 583 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00494LR0005 [0,1,1,0,0,0|1,1,0]=4 584 B17R2.44757 CC(C)OCCNc1ncnc2c1[nH]cc2 WXVL_AK0128LP0194 [0,1,1,0,0,0|1,0,1]=4 585 B17R2.44757 CC(C)OCCNc1ncnc2c1[nH]cc2 WXVL_AK0128LP0194 [0,1,1,0,0,0|1,0,1]=4 586 B17R2.44757 CC(C)OCCNc1ncnc2c1cc[nH]2 WXVL_AK0128LP0055 [0,1,1,0,0,0|1,0,0]=3 587 B17R2.44757 CC(C)OCCNc1ncnc2c1cc[nH]2 WXVL_AK0128LP0055 [0,1,1,0,0,0|1,0,0]=3 588 B17R2.44757 CC(C)OCCNc1ncnc2c1cco2 WXVL_AK0128LP0417 [0,1,1,0,0,0|2,0,0]=4 589 B17R2.44757 CC(C)OCCNc1ncnc2c1cco2 WXVL_AK0128LP0417 [0,1,1,0,0,0|2,0,0]=4 590 B17R2.44757 CC(C)OCCNc1ncnc2c1ccs2 WXVL_AK0128LP0097 [0,1,1,0,0,0|2,0,0]=4 591 B17R2.44757 CC(C)OCCNc1ncnc2c1ccs2 WXVL_AK0128LP0097 [0,1,1,0,0,0|2,0,0]=4 592 B17R2.44757 CC(C)OCCNc1ncnc2c1cn[nH]2 WXVL_AK0128PY0172 [0,1,1,0,0,0|2,0,0]=4 593 B17R2.44757 CC(C)OCCNc1ncnc2c1cn[nH]2 WXVL_AK0128PY0172 [0,1,1,0,0,0|2,0,0]=4 594 B17R2.44757 CC(C)OCCNc1ncnc2c1scc2 WXVL_AK0128LP0180 [0,1,1,0,0,0|2,0,0]=4 595 B17R2.44757 CC(C)OCCNc1ncnc2c1scc2 WXVL_AK0128LP0180 [0,1,1,0,0,0|2,0,0]=4 596 B17R2.21752 CCN(CCO)c1ncnc2c1[nH]cc2Br WXVL_AN3174LR0529 [0,1,1,0,0,0|1,0,1]=4 597 B17R2.21752 CCN(CCO)c1ncnc2c1ccn2C WXVL_AN3174LP0456 [0,1,1,0,0,0|1,0,0]=3 598 B17R2.21752 CCN(CCO)c1ncnc2c1cnn2C WXVL_AN3174LP3353 [0,1,1,0,0,0|2,0,0]=4 599 B17R2.21752 CCN(CCO)c1ncnc2c1ncn2C WXVL_AN3174LP0352 [0,1,1,0,0,0|0,0,0]=2 600 B17R2.21752 CCN(CCO)c1ncnc2c1scc2Br WXVL_AN3174LR0532 [0,1,1,0,0,0|2,0,0]=4 601 B17R2.21752 CCN(CCO)c1ncnc2c1scc2C WXVL_AN3174LP0636 [0,1,1,0,0,0|2,0,0]=4 602 B17R2.21760 CCN(CCO)c1ncnc2c1CC(=O)N2 WXVL_AN3174LP0135 [0,1,1,0,0,0|1,0,0]=3 603 B17R2.21760 CCN(CCO)c1ncnc2c1cc([nH]2)Br WXVL_AN3174LR0533 [0,1,1,0,0,0|1,0,0]=3 604 B17R2.21760 CCN(CCO)c1ncnc2c1cc([nH]2)C WXVL_AN3174LP0780 [0,1,1,0,0,0|1,0,0]=3 605 B17R2.21760 CCN(CCO)c1ncnc2c1cc(s2)Br WXVL_AN3174LR0544 [0,1,1,0,0,0|2,0,0]=4 606 B17R2.21760 CCN(CCO)c1ncnc2c1nc([nH]2)C WXVL_AN3174LP3356 [0,1,1,0,0,0|0,0,0]=2 607 B17R2.21760 CCN(CCO)c1ncnc2c1sc(c2)Br WXVL_AN3174LR0534 [0,1,1,0,0,0|2,0,0]=4 608 B17R2.21760 CCN(CCO)c1ncnc2c1sc(c2)I WXVL_AN3174LR0012 [0,1,1,0,0,0|2,0,0]=4 609 B17R2.21761 CCN(CCO)c1ncnc2c1c(c[nH]2)C WXVL_AN3174LP0065 [0,1,1,0,0,0|1,0,0]=3 610 B17R2.21761 CCN(CCO)c1ncnc2c1c(c[nH]2)I WXVL_AN3174LR0005 [0,1,1,0,0,0|1,0,0]=3 611 B17R2.21761 CCN(CCO)c1ncnc2c1c(cs2)C WXVL_AN3174LP0115 [0,1,1,0,0,0|2,0,0]=4 612 B17R2.21761 CCN(CCO)c1ncnc2c1c(n[nH]2)I WXVL_AN3174PY1247 [0,1,1,0,0,0|2,0,0]=4 613 B17R2.21761 CCN(CCO)c1ncnc2c1n(cn2)C WXVL_AN3174LP0517 [0,1,1,0,0,0|0,0,2]=4 614 B17R2.21794 CCN(CCO)c1nc(nc2c1cn[nH]2)C WXVL_AN3174PY0466 [0,1,1,0,0,0|2,0,0]=4 615 B17R2.21794 CCN(CCO)c1nc(nc2c1scc2)C WXVL_AN3174LP0092 [0,1,1,0,0,0|2,0,0]=4 616 B17R2.301371 CCCN(c1ncnc2c1cc[nH]2)C(C)C WXVL_AN7248LP0055 [0,1,1,0,0,0|2,0,0]=4 617 B17R2.312270 CCCN(CCC)c1ncnc2c1cc[nH]2 WXVL_AN00632LP0055 [0,1,1,0,0,0|2,0,0]=4 618 B17R2.312270 OCCN(CCO)c1ncnc2c1[nH]cc2 WXVL_AN00660LP0194 [0,1,1,0,0,0|1,0,1]=4 619 B17R2.312270 OCCN(CCO)c1ncnc2c1cc[nH]2 WXVL_AN00660LP0055 [0,1,1,0,0,0|1,0,0]=3 620 B17R2.312270 OCCN(CCO)c1ncnc2c1cco2 WXVL_AN00660LP0417 [0,1,1,0,0,0|2,0,0]=4 621 B17R2.312270 OCCN(CCO)c1ncnc2c1ccs2 WXVL_AN00660LP0097 [0,1,1,0,0,0|2,0,0]=4 622 B17R2.312270 OCCN(CCO)c1ncnc2c1cn[nH]2 WXVL_AN00660PY0172 [0,1,1,0,0,0|2,0,0]=4 623 B17R2.312270 OCCN(CCO)c1ncnc2c1scc2 WXVL_AN00660LP0180 [0,1,1,0,0,0|2,0,0]=4 624 B17R3.3 Brc1c[nH]c2c1ncnc2N3CCCC3 WXVL_AN0008LR0529 [0,1,0,0,1,0|1,0,1]=4 625 B17R3.3 Brc1c[nH]c2c1ncnc2N3CCCC3 WXVL_AN0008LR0529 [0,1,0,0,1,0|1,0,1]=4 626 B17R3.3 Brc1csc2c1ncnc2N3CCCC3 WXVL_AN0008LR0532 [0,1,0,0,1,0|2,0,0]=4 627 B17R3.3 Brc1csc2c1ncnc2N3CCCC3 WXVL_AN0008LR0532 [0,1,0,0,1,0|2,0,0]=4 628 B17R3.3 Cc1csc2c1ncnc2N3CCCC3 WXVL_AN0008LP0636 [0,1,0,0,1,0|2,0,0]=4 629 B17R3.3 Cc1csc2c1ncnc2N3CCCC3 WXVL_AN0008LP0636 [0,1,0,0,1,0|2,0,0]=4 630 B17R3.3 Cn1ccc2c1ncnc2N3CCCC3 WXVL_AN0008LP0456 [0,1,0,0,1,0|1,0,0]=3 631 B17R3.3 Cn1ccc2c1ncnc2N3CCCC3 WXVL_AN0008LP0456 [0,1,0,0,1,0|1,0,0]=3 632 B17R3.3 Cn1cnc2c1ncnc2N3CCCC3 WXVL_AN0008LP0352 [0,1,0,0,1,0|0,0,0]=2 633 B17R3.3 Cn1cnc2c1ncnc2N3CCCC3 WXVL_AN0008LP0352 [0,1,0,0,1,0|0,0,0]=2 634 B17R3.3 Cn1ncc2c1ncnc2N3CCCC3 WXVL_AN0008LP3353 [0,1,0,0,1,0|2,0,0]=4 635 B17R3.3 Cn1ncc2c1ncnc2N3CCCC3 WXVL_AN0008LP3353 [0,1,0,0,1,0|2,0,0]=4 636 B17R3.104 Cc1nc(c2cn[nH]c2n1)N3CCCC3 WXVL_AN0008PY0466 [0,1,0,0,1,0|2,0,0]=4 637 B17R3.104 Cc1nc(c2cn[nH]c2n1)N3CCCC3 WXVL_AN0008PY0466 [0,1,0,0,1,0|2,0,0]=4 638 B17R3.104 Cc1nc(c2sccc2n1)N3CCCC3 WXVL_AN0008LP0092 [0,1,0,0,1,0|2,0,0]=4 639 B17R3.104 Cc1nc(c2sccc2n1)N3CCCC3 WXVL_AN0008LP0092 [0,1,0,0,1,0|2,0,0]=4 640 B17R3.135 Brc1cc2c(ncnc2[nH]1)N3CCCC3 WXVL_AN0008LR0533 [0,1,0,0,1,0|1,0,0]=3 641 B17R3.135 Brc1cc2c(ncnc2[nH]1)N3CCCC3 WXVL_AN0008LR0533 [0,1,0,0,1,0|1,0,0]=3 642 B17R3.135 Brc1cc2c(ncnc2s1)N3CCCC3 WXVL_AN0008LR0544 [0,1,0,0,1,0|2,0,0]=4 643 B17R3.135 Brc1cc2c(ncnc2s1)N3CCCC3 WXVL_AN0008LR0544 [0,1,0,0,1,0|2,0,0]=4 644 B17R3.135 Brc1cc2ncnc(c2s1)N3CCCC3 WXVL_AN0008LR0534 [0,1,0,0,1,0|2,0,0]=4 645 B17R3.135 Brc1cc2ncnc(c2s1)N3CCCC3 WXVL_AN0008LR0534 [0,1,0,0,1,0|2,0,0]=4 646 B17R3.135 Cc1cc2c(ncnc2[nH]1)N3CCCC3 WXVL_AN0008LP0780 [0,1,0,0,1,0|1,0,0]=3 647 B17R3.135 Cc1cc2c(ncnc2[nH]1)N3CCCC3 WXVL_AN0008LP0780 [0,1,0,0,1,0|1,0,0]=3 648 B17R3.135 Cc1nc2c(ncnc2[nH]1)N3CCCC3 WXVL_AN0008LP3356 [0,1,0,0,1,0|0,0,0]=2 649 B17R3.135 Cc1nc2c(ncnc2[nH]1)N3CCCC3 WXVL_AN0008LP3356 [0,1,0,0,1,0|0,0,0]=2 650 B17R3.135 Ic1cc2ncnc(c2s1)N3CCCC3 WXVL_AN0008LR0012 [0,1,0,0,1,0|2,0,0]=4 651 B17R3.135 Ic1cc2ncnc(c2s1)N3CCCC3 WXVL_AN0008LR0012 [0,1,0,0,1,0|2,0,0]=4 652 B17R3.135 O=C1Cc2c(ncnc2N3CCCC3)N1 WXVL_AN0008LP0135 [0,1,0,0,1,0|1,0,0]=3 653 B17R3.135 O=C1Cc2c(ncnc2N3CCCC3)N1 WXVL_AN0008LP0135 [0,1,0,0,1,0|1,0,0]=3 654 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2[nH]cc3 WXVL_AN00593LP0194 [0,1,0,0,1,0|1,0,1]=4 655 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2cc[nH]3 WXVL_AN00593LP0055 [0,1,0,0,1,0|1,0,0]=3 656 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2cco3 WXVL_AN00593LP0417 [0,1,0,0,1,0|2,0,0]=4 657 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2ccs3 WXVL_AN00593LP0097 [0,1,0,0,1,0|2,0,0]=4 658 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2cn[nH]3 WXVL_AN00593PY0172 [0,1,0,0,1,0|2,0,0]=4 659 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2scc3 WXVL_AN00593LP0180 [0,1,0,0,1,0|2,0,0]=4 660 B17R3.17527 BrC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00715LP0194 [0,1,0,0,1,0|1,0,1]=4 661 B17R3.17527 BrC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00715LP0055 [0,1,0,0,1,0|1,0,0]=3 662 B17R3.17527 BrC1CCN(C1)c2ncnc3c2cco3 WXVL_AN00715LP0417 [0,1,0,0,1,0|2,0,0]=4 663 B17R3.17527 BrC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00715LP0097 [0,1,0,0,1,0|2,0,0]=4 664 B17R3.17527 BrC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00715PY0172 [0,1,0,0,1,0|2,0,0]=4 665 B17R3.17527 BrC1CCN(C1)c2ncnc3c2scc3 WXVL_AN00715LP0180 [0,1,0,0,1,0|2,0,0]=4 666 B17R3.17527 CC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN0556LP0194 [0,1,0,0,1,0|1,0,1]=4 667 B17R3.17527 CC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN0556LP0194 [0,1,0,0,1,0|1,0,1]=4 668 B17R3.17527 CC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0556LP0055 [0,1,0,0,1,0|1,0,0]=3 669 B17R3.17527 CC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0556LP0055 [0,1,0,0,1,0|1,0,0]=3 670 B17R3.17527 CC1CCN(C1)c2ncnc3c2cco3 WXVL_AN0556LP0417 [0,1,0,0,1,0|2,0,0]=4 671 B17R3.17527 CC1CCN(C1)c2ncnc3c2cco3 WXVL_AN0556LP0417 [0,1,0,0,1,0|2,0,0]=4 672 B17R3.17527 CC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN0556LP0097 [0,1,0,0,1,0|2,0,0]=4 673 B17R3.17527 CC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN0556LP0097 [0,1,0,0,1,0|2,0,0]=4 674 B17R3.17527 CC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN0556PY0172 [0,1,0,0,1,0|2,0,0]=4 675 B17R3.17527 CC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN0556PY0172 [0,1,0,0,1,0|2,0,0]=4 676 B17R3.17527 CC1CCN(C1)c2ncnc3c2scc3 WXVL_AN0556LP0180 [0,1,0,0,1,0|2,0,0]=4 677 B17R3.17527 CC1CCN(C1)c2ncnc3c2scc3 WXVL_AN0556LP0180 [0,1,0,0,1,0|2,0,0]=4 678 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00488LP0194 [0,1,0,0,1,0|1,0,1]=4 679 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00488LP0194 [0,1,0,0,1,0|1,0,1]=4 680 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00488LP0055 [0,1,0,0,1,0|1,0,0]=3 681 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00488LP0055 [0,1,0,0,1,0|1,0,0]=3 682 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00488LP0417 [0,1,0,0,1,0|2,0,0]=4 683 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00488LP0417 [0,1,0,0,1,0|2,0,0]=4 684 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00488LP0097 [0,1,0,0,1,0|2,0,0]=4 685 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00488LP0097 [0,1,0,0,1,0|2,0,0]=4 686 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00488PY0172 [0,1,0,0,1,0|2,0,0]=4 687 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00488PY0172 [0,1,0,0,1,0|2,0,0]=4 688 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00488LP0180 [0,1,0,0,1,0|2,0,0]=4 689 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00488LP0180 [0,1,0,0,1,0|2,0,0]=4 690 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00094LP0194 [0,1,0,0,1,0|1,0,1]=4 691 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00094LP0194 [0,1,0,0,1,0|1,0,1]=4 692 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00094LP0055 [0,1,0,0,1,0|1,0,0]=3 693 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00094LP0055 [0,1,0,0,1,0|1,0,0]=3 694 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00094LP0417 [0,1,0,0,1,0|2,0,0]=4 695 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00094LP0417 [0,1,0,0,1,0|2,0,0]=4 696 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00094LP0097 [0,1,0,0,1,0|2,0,0]=4 697 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00094LP0097 [0,1,0,0,1,0|2,0,0]=4 698 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00094PY0172 [0,1,0,0,1,0|2,0,0]=4 699 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00094PY0172 [0,1,0,0,1,0|2,0,0]=4 700 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00094LP0180 [0,1,0,0,1,0|2,0,0]=4 701 B17R3.17527 C[C@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00094LP0180 [0,1,0,0,1,0|2,0,0]=4 702 B17R3.17527 FC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00338LP0194 [0,1,0,0,1,0|1,0,1]=4 703 B17R3.17527 FC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00338LP0194 [0,1,0,0,1,0|1,0,1]=4 704 B17R3.17527 FC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00338LP0055 [0,1,0,0,1,0|1,0,0]=3 705 B17R3.17527 FC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00338LP0055 [0,1,0,0,1,0|1,0,0]=3 706 B17R3.17527 FC1CCN(C1)c2ncnc3c2cco3 WXVL_AN00338LP0417 [0,1,0,0,1,0|2,0,0]=4 707 B17R3.17527 FC1CCN(C1)c2ncnc3c2cco3 WXVL_AN00338LP0417 [0,1,0,0,1,0|2,0,0]=4 708 B17R3.17527 FC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00338LP0097 [0,1,0,0,1,0|2,0,0]=4 709 B17R3.17527 FC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00338LP0097 [0,1,0,0,1,0|2,0,0]=4 710 B17R3.17527 FC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00338PY0172 [0,1,0,0,1,0|2,0,0]=4 711 B17R3.17527 FC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00338PY0172 [0,1,0,0,1,0|2,0,0]=4 712 B17R3.17527 FC1CCN(C1)c2ncnc3c2scc3 WXVL_AN00338LP0180 [0,1,0,0,1,0|2,0,0]=4 713 B17R3.17527 FC1CCN(C1)c2ncnc3c2scc3 WXVL_AN00338LP0180 [0,1,0,0,1,0|2,0,0]=4 714 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00035LP0194 [0,1,0,0,1,0|1,0,1]=4 715 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00035LP0194 [0,1,0,0,1,0|1,0,1]=4 716 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00035LP0055 [0,1,0,0,1,0|1,0,0]=3 717 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00035LP0055 [0,1,0,0,1,0|1,0,0]=3 718 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00035LP0417 [0,1,0,0,1,0|2,0,0]=4 719 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00035LP0417 [0,1,0,0,1,0|2,0,0]=4 720 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00035LP0097 [0,1,0,0,1,0|2,0,0]=4 721 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00035LP0097 [0,1,0,0,1,0|2,0,0]=4 722 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00035PY0172 [0,1,0,0,1,0|2,0,0]=4 723 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00035PY0172 [0,1,0,0,1,0|2,0,0]=4 724 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00035LP0180 [0,1,0,0,1,0|2,0,0]=4 725 B17R3.17527 F[C@@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00035LP0180 [0,1,0,0,1,0|2,0,0]=4 726 B17R3.17527 OC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN0158LP0194 [0,1,0,0,1,0|1,0,1]=4 727 B17R3.17527 OC1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN0158LP0194 [0,1,0,0,1,0|1,0,1]=4 728 B17R3.17527 OC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0158LP0055 [0,1,0,0,1,0|1,0,0]=3 729 B17R3.17527 OC1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0158LP0055 [0,1,0,0,1,0|1,0,0]=3 730 B17R3.17527 OC1CCN(C1)c2ncnc3c2cco3 WXVL_AN0158LP0417 [0,1,0,0,1,0|2,0,0]=4 731 B17R3.17527 OC1CCN(C1)c2ncnc3c2cco3 WXVL_AN0158LP0417 [0,1,0,0,1,0|2,0,0]=4 732 B17R3.17527 OC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN0158LP0097 [0,1,0,0,1,0|2,0,0]=4 733 B17R3.17527 OC1CCN(C1)c2ncnc3c2ccs3 WXVL_AN0158LP0097 [0,1,0,0,1,0|2,0,0]=4 734 B17R3.17527 OC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN0158PY0172 [0,1,0,0,1,0|2,0,0]=4 735 B17R3.17527 OC1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN0158PY0172 [0,1,0,0,1,0|2,0,0]=4 736 B17R3.17527 OC1CCN(C1)c2ncnc3c2scc3 WXVL_AN0158LP0180 [0,1,0,0,1,0|2,0,0]=4 737 B17R3.17527 OC1CCN(C1)c2ncnc3c2scc3 WXVL_AN0158LP0180 [0,1,0,0,1,0|2,0,0]=4 738 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00543LP0194 [0,1,0,0,1,0|1,0,1]=4 739 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00543LP0055 [0,1,0,0,1,0|1,0,0]=3 740 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00543LP0417 [0,1,0,0,1,0|2,0,0]=4 741 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00543LP0097 [0,1,0,0,1,0|2,0,0]=4 742 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00543PY0172 [0,1,0,0,1,0|2,0,0]=4 743 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00543LP0180 [0,1,0,0,1,0|2,0,0]=4 744 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00391LP0194 [0,1,0,0,1,0|1,0,1]=4 745 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00391LP0194 [0,1,0,0,1,0|1,0,1]=4 746 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00391LP0055 [0,1,0,0,1,0|1,0,0]=3 747 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00391LP0055 [0,1,0,0,1,0|1,0,0]=3 748 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00391LP0417 [0,1,0,0,1,0|2,0,0]=4 749 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2cco3 WXVL_AN00391LP0417 [0,1,0,0,1,0|2,0,0]=4 750 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00391LP0097 [0,1,0,0,1,0|2,0,0]=4 751 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2ccs3 WXVL_AN00391LP0097 [0,1,0,0,1,0|2,0,0]=4 752 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00391PY0172 [0,1,0,0,1,0|2,0,0]=4 753 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00391PY0172 [0,1,0,0,1,0|2,0,0]=4 754 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00391LP0180 [0,1,0,0,1,0|2,0,0]=4 755 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2scc3 WXVL_AN00391LP0180 [0,1,0,0,1,0|2,0,0]=4 756 B17R3.30068 Brc1csc2c1c(ncn2)N3CCCC3 WXVL_AN0008LR0445 [0,1,0,0,1,0|2,0,0]=4 757 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0065 [0,1,0,0,1,0|1,0,0]=3 758 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0065 [0,1,0,0,1,0|1,0,0]=3 759 B17R3.30068 Cc1csc2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0115 [0,1,0,0,1,0|2,0,0]=4 760 B17R3.30068 Cc1csc2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0115 [0,1,0,0,1,0|2,0,0]=4 761 B17R3.30068 Cn1cnc2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0517 [0,1,0,0,1,0|0,0,2]=4 762 B17R3.30068 Cn1cnc2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0517 [0,1,0,0,1,0|0,0,2]=4 763 B17R3.30068 Ic1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LR0005 [0,1,0,0,1,0|1,0,0]=3 764 B17R3.30068 Ic1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LR0005 [0,1,0,0,1,0|1,0,0]=3 765 B17R3.30068 Ic1n[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008PY1247 [0,1,0,0,1,0|2,0,0]=4 766 B17R3.30068 Ic1n[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008PY1247 [0,1,0,0,1,0|2,0,0]=4 767 B19R3.97 C[C@@H]1COCCN1c2ncnc3c2cccc3 WXVL_AN00562LP0257 [0,1,0,0,0,1|2,0,0]=4 768 B19R3.97 C[C@@H]1COCCN1c2ncnc3c2ccnc3 WXVL_AN00562LP0471 [0,1,0,0,0,1|1,0,1]=4 769 B19R3.97 C[C@@H]1COCCN1c2ncnc3c2nccc3 WXVL_AN00562LP0411 [0,1,0,0,0,1|1,0,0]=3 770 B19R3.97 C[C@H]1CCCCN1c2ncnc3c2nccc3 WXVL_AN00851LP0411 [0,1,0,0,0,1|2,0,0]=4 771 B19R3.97 C[C@H]1COCCN1c2ncnc3c2cccc3 WXVL_AN00472LP0257 [0,1,0,0,0,1|2,0,0]=4 772 B19R3.97 C[C@H]1COCCN1c2ncnc3c2cccc3 WXVL_AN00472LP0257 [0,1,0,0,0,1|2,0,0]=4 773 B19R3.97 C[C@H]1COCCN1c2ncnc3c2ccnc3 WXVL_AN00472LP0471 [0,1,0,0,0,1|1,0,1]=4 774 B19R3.97 C[C@H]1COCCN1c2ncnc3c2ccnc3 WXVL_AN00472LP0471 [0,1,0,0,0,1|1,0,1]=4 775 B19R3.97 C[C@H]1COCCN1c2ncnc3c2nccc3 WXVL_AN00472LP0411 [0,1,0,0,0,1|1,0,0]=3 776 B19R3.97 C[C@H]1COCCN1c2ncnc3c2nccc3 WXVL_AN00472LP0411 [0,1,0,0,0,1|1,0,0]=3 777 B19R3.102 Brc1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LQ2479 [0,1,0,0,0,1|2,0,0]=4 778 B19R3.102 Brc1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LQ2479 [0,1,0,0,0,1|2,0,0]=4 779 B19R3.102 Cc1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP1016 [0,1,0,0,0,1|2,0,0]=4 780 B19R3.102 Cc1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP1016 [0,1,0,0,0,1|2,0,0]=4 781 B19R3.102 Fc1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP0376 [0,1,0,0,0,1|2,0,0]=4 782 B19R3.102 Fc1ccc2c(ncnc2c1)N3CCOCC3 WXVL_AN00478LP0376 [0,1,0,0,0,1|2,0,0]=4 783 B19R3.294 Cc1nc(c2ccccc2n1)N3CCOCC3 WXVL_AN00478LP0578 [0,1,0,0,0,1|2,0,0]=4 784 B19R3.294 Cc1nc(c2ccccc2n1)N3CCOCC3 WXVL_AN00478LP0578 [0,1,0,0,0,1|2,0,0]=4 785 B19R3.421 BrC1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN00579LP0411 [0,1,0,0,0,1|2,0,0]=4 786 B19R3.421 C=C1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN00121LP0411 [0,1,0,0,0,1|2,0,0]=4 787 B19R3.421 C=C1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN00121LP0411 [0,1,0,0,0,1|2,0,0]=4 788 B19R3.421 CC1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN0025LP0411 [0,1,0,0,0,1|2,0,0]=4 789 B19R3.421 CC1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN0025LP0411 [0,1,0,0,0,1|2,0,0]=4 790 B19R3.421 CN1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN00865LP0411 [0,1,0,0,0,1|2,0,0]=4 791 B19R3.421 FC1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN0279LP0411 [0,1,0,0,0,1|2,0,0]=4 792 B19R3.421 O=S1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN00655LP0411 [0,1,0,0,0,1|1,1,0]=4 793 B19R3.421 OC1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN0023LP0411 [0,1,0,0,0,1|2,0,0]=4 794 B19R3.421 OC1CCN(CC1)c2ncnc3c2nccc3 WXVL_AN0023LP0411 [0,1,0,0,0,1|2,0,0]=4 795 B19R3.4066 Brc1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LQ2091 [0,1,0,0,0,1|2,0,0]=4 796 B19R3.4066 Brc1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LQ2091 [0,1,0,0,0,1|2,0,0]=4 797 B19R3.4066 Brc1cnc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LQ2122 [0,1,0,0,0,1|1,0,1]=4 798 B19R3.4066 Brc1cnc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LQ2122 [0,1,0,0,0,1|1,0,1]=4 799 B19R3.4066 Cc1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LP0622 [0,1,0,0,0,1|2,0,0]=4 800 B19R3.4066 Cc1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LP0622 [0,1,0,0,0,1|2,0,0]=4 801 B19R3.4066 Fc1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LP0380 [0,1,0,0,0,1|2,0,0]=4 802 B19R3.4066 Fc1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LP0380 [0,1,0,0,0,1|2,0,0]=4 803 B19R3.4066 Ic1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LP3352 [0,1,0,0,0,1|2,0,0]=4 804 B19R3.4066 Ic1ccc2ncnc(c2c1)N3CCOCC3 WXVL_AN00478LP3352 [0,1,0,0,0,1|2,0,0]=4 805 B19R3.8297 Brc1cccc2c1ncnc2N3CCOCC3 WXVL_AN00478LQ2165 [0,1,0,0,0,1|2,0,0]=4 806 B19R3.8297 Brc1cccc2c1ncnc2N3CCOCC3 WXVL_AN00478LQ2165 [0,1,0,0,0,1|2,0,0]=4 807 B19R3.8297 Cc1cccc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0618 [0,1,0,0,0,1|2,0,0]=4 808 B19R3.8297 Cc1cccc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0618 [0,1,0,0,0,1|2,0,0]=4 809 B19R3.8297 Fc1cccc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0953 [0,1,0,0,0,1|2,0,0]=4 810 B19R3.8297 Fc1cccc2c1ncnc2N3CCOCC3 WXVL_AN00478LP0953 [0,1,0,0,0,1|2,0,0]=4 811 B19R3.9760 BrC1CCCN(C1)c2ncnc3c2nccc3 WXVL_AN00704LP0411 [0,1,0,0,0,1|2,0,0]=4 812 B19R3.9760 CC1CN(CCO1)c2ncnc3c2cccc3 WXVL_AN0569LP0257 [0,1,0,0,0,1|2,0,0]=4 813 B19R3.9760 CC1CN(CCO1)c2ncnc3c2ccnc3 WXVL_AN0569LP0471 [0,1,0,0,0,1|1,0,1]=4 814 B19R3.9760 CC1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN0569LP0411 [0,1,0,0,0,1|1,0,0]=3 815 B19R3.9760 C[C@@H]1CCCN(C1)c2ncnc3c2nccc3 WXVL_AN00782LP0411 [0,1,0,0,0,1|2,0,0]=4 816 B19R3.9760 C[C@@H]1CN(CCO1)c2ncnc3c2cccc3 WXVL_AN00210LP0257 [0,1,0,0,0,1|2,0,0]=4 817 B19R3.9760 C[C@@H]1CN(CCO1)c2ncnc3c2cccc3 WXVL_AN00210LP0257 [0,1,0,0,0,1|2,0,0]=4 818 B19R3.9760 C[C@@H]1CN(CCO1)c2ncnc3c2ccnc3 WXVL_AN00210LP0471 [0,1,0,0,0,1|1,0,1]=4 819 B19R3.9760 C[C@@H]1CN(CCO1)c2ncnc3c2ccnc3 WXVL_AN00210LP0471 [0,1,0,0,0,1|1,0,1]=4 820 B19R3.9760 C[C@@H]1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN00210LP0411 [0,1,0,0,0,1|1,0,0]=3 821 B19R3.9760 C[C@@H]1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN00210LP0411 [0,1,0,0,0,1|1,0,0]=3 822 B19R3.9760 C[C@H]1CN(CCO1)c2ncnc3c2cccc3 WXVL_AN00212LP0257 [0,1,0,0,0,1|2,0,0]=4 823 B19R3.9760 C[C@H]1CN(CCO1)c2ncnc3c2cccc3 WXVL_AN00212LP0257 [0,1,0,0,0,1|2,0,0]=4 824 B19R3.9760 C[C@H]1CN(CCO1)c2ncnc3c2ccnc3 WXVL_AN00212LP0471 [0,1,0,0,0,1|1,0,1]=4 825 B19R3.9760 C[C@H]1CN(CCO1)c2ncnc3c2ccnc3 WXVL_AN00212LP0471 [0,1,0,0,0,1|1,0,1]=4 826 B19R3.9760 C[C@H]1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN00212LP0411 [0,1,0,0,0,1|1,0,0]=3 827 B19R3.9760 C[C@H]1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN00212LP0411 [0,1,0,0,0,1|1,0,0]=3 828 B19R3.9760 FC1CCCN(C1)c2ncnc3c2nccc3 WXVL_AN2271LP0411 [0,1,0,0,0,1|2,0,0]=4 829 B19R3.9760 FC1CCCN(C1)c2ncnc3c2nccc3 WXVL_AN2271LP0411 [0,1,0,0,0,1|2,0,0]=4 830 B19R3.9760 O=C1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN4960LP0411 [0,1,0,0,0,1|1,0,1]=4 831 B19R3.9760 OC1CCCN(C1)c2ncnc3c2nccc3 WXVL_AN0622LP0411 [0,1,0,0,0,1|2,0,0]=4 832 B19R3.9760 OC1CN(CCO1)c2ncnc3c2cccc3 WXVL_AN00776LP0257 [0,1,0,0,0,1|2,0,0]=4 833 B19R3.9760 OC1CN(CCO1)c2ncnc3c2ccnc3 WXVL_AN00776LP0471 [0,1,0,0,0,1|1,0,1]=4 834 B19R3.9760 OC1CN(CCO1)c2ncnc3c2nccc3 WXVL_AN00776LP0411 [0,1,0,0,0,1|1,0,0]=3 835 B19R3.9760 O[C@@H]1CCCN(C1)c2ncnc3c2nccc3 WXVL_AN00535LP0411 [0,1,0,0,0,1|2,0,0]=4 836 B19R3.150373 Fc1cccc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP1408 [0,1,0,0,0,1|2,0,0]=4 837 B19R3.150373 Fc1cccc2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP1408 [0,1,0,0,0,1|2,0,0]=4 838 B19R3.9 Cn1cnc2c1ncnc2NC3CCCCC3 WXVL_AK00480LP0352 [0,1,0,0,0,1|2,0,0]=4 839 B19R3.9 Cn1cnc2c1ncnc2NC3CCCCC3 WXVL_AK00480LP0352 [0,1,0,0,0,1|2,0,0]=4 840 B19R3.329 Cc1nc2c(ncnc2[nH]1)NC3CCCCC3 WXVL_AK00480LP3356 [0,1,0,0,0,1|2,0,0]=4 841 B19R3.329 Cc1nc2c(ncnc2[nH]1)NC3CCCCC3 WXVL_AK00480LP3356 [0,1,0,0,0,1|2,0,0]=4 842 B19R3.1799921 O=C(c1cccc2c1nc[nH]2)N3CCOCC3 WXVL_AN00478SE1553 [0,1,0,0,0,1|2,0,0]=4 843 B19R3.1799921 O=C(c1cccc2c1nc[nH]2)N3CCOCC3 WXVL_AN00478SE1553 [0,1,0,0,0,1|2,0,0]=4 844 B19R3.1799921 O=C(c1nccc2c1cc[nH]2)N3CCOCC3 WXVL_AN00478SE1801 [0,1,0,0,0,1|2,0,0]=4 845 B19R3.1799921 O=C(c1nccc2c1cc[nH]2)N3CCOCC3 WXVL_AN00478SE1801 [0,1,0,0,0,1|2,0,0]=4 846 B19R3.1799921 O=C(c1nccc2c1nc[nH]2)N3CCOCC3 WXVL_AN00478SE1960 [0,1,0,0,0,1|1,0,0]=3 847 B19R3.1799921 O=C(c1nccc2c1nc[nH]2)N3CCOCC3 WXVL_AN00478SE1960 [0,1,0,0,0,1|1,0,0]=3 848 B19R3.1799921 O=C(c1nccc2c1nc[nH]2)N3CCSCC3 WXVL_AN0896SE1960 [0,1,0,0,0,1|1,1,0]=4 849 B19R3.2349 Brc1c[nH]c2c1ncnc2N3CCCOCC3 WXVL_AN00350LR0529 [0,1,0,0,0,1|1,0,1]=4 850 B19R3.2349 Brc1c[nH]c2c1ncnc2N3CCCOCC3 WXVL_AN00350LR0529 [0,1,0,0,0,1|1,0,1]=4 851 B19R3.2349 Brc1csc2c1ncnc2N3CCCOCC3 WXVL_AN00350LR0532 [0,1,0,0,0,1|2,0,0]=4 852 B19R3.2349 Brc1csc2c1ncnc2N3CCCOCC3 WXVL_AN00350LR0532 [0,1,0,0,0,1|2,0,0]=4 853 B19R3.2349 Cc1csc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP0636 [0,1,0,0,0,1|2,0,0]=4 854 B19R3.2349 Cc1csc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP0636 [0,1,0,0,0,1|2,0,0]=4 855 B19R3.2349 Cn1ccc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP0456 [0,1,0,0,0,1|1,0,0]=3 856 B19R3.2349 Cn1ccc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP0456 [0,1,0,0,0,1|1,0,0]=3 857 B19R3.2349 Cn1cnc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP0352 [0,1,0,0,0,1|0,0,0]=2 858 B19R3.2349 Cn1cnc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP0352 [0,1,0,0,0,1|0,0,0]=2 859 B19R3.2349 Cn1ncc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP3353 [0,1,0,0,0,1|2,0,0]=4 860 B19R3.2349 Cn1ncc2c1ncnc2N3CCCOCC3 WXVL_AN00350LP3353 [0,1,0,0,0,1|2,0,0]=4 861 B19R3.156707 Cc1nc(c2cn[nH]c2n1)N3CCCOCC3 WXVL_AN00350PY0466 [0,1,0,0,0,1|2,0,0]=4 862 B19R3.156707 Cc1nc(c2cn[nH]c2n1)N3CCCOCC3 WXVL_AN00350PY0466 [0,1,0,0,0,1|2,0,0]=4 863 B19R3.156707 Cc1nc(c2sccc2n1)N3CCCOCC3 WXVL_AN00350LP0092 [0,1,0,0,0,1|2,0,0]=4 864 B19R3.156707 Cc1nc(c2sccc2n1)N3CCCOCC3 WXVL_AN00350LP0092 [0,1,0,0,0,1|2,0,0]=4 865 B19R3.181097 Brc1cc2c(ncnc2[nH]1)N3CCCOCC3 WXVL_AN00350LR0533 [0,1,0,0,0,1|1,0,0]=3 866 B19R3.181097 Brc1cc2c(ncnc2[nH]1)N3CCCOCC3 WXVL_AN00350LR0533 [0,1,0,0,0,1|1,0,0]=3 867 B19R3.181097 Brc1cc2c(ncnc2s1)N3CCCOCC3 WXVL_AN00350LR0544 [0,1,0,0,0,1|2,0,0]=4 868 B19R3.181097 Brc1cc2c(ncnc2s1)N3CCCOCC3 WXVL_AN00350LR0544 [0,1,0,0,0,1|2,0,0]=4 869 B19R3.181097 Brc1cc2ncnc(c2s1)N3CCCOCC3 WXVL_AN00350LR0534 [0,1,0,0,0,1|2,0,0]=4 870 B19R3.181097 Brc1cc2ncnc(c2s1)N3CCCOCC3 WXVL_AN00350LR0534 [0,1,0,0,0,1|2,0,0]=4 871 B19R3.181097 Cc1cc2c(ncnc2[nH]1)N3CCCOCC3 WXVL_AN00350LP0780 [0,1,0,0,0,1|1,0,0]=3 872 B19R3.181097 Cc1cc2c(ncnc2[nH]1)N3CCCOCC3 WXVL_AN00350LP0780 [0,1,0,0,0,1|1,0,0]=3 873 B19R3.181097 Cc1nc2c(ncnc2[nH]1)N3CCCOCC3 WXVL_AN00350LP3356 [0,1,0,0,0,1|0,0,0]=2 874 B19R3.181097 Cc1nc2c(ncnc2[nH]1)N3CCCOCC3 WXVL_AN00350LP3356 [0,1,0,0,0,1|0,0,0]=2 875 B19R3.181097 Ic1cc2ncnc(c2s1)N3CCCOCC3 WXVL_AN00350LR0012 [0,1,0,0,0,1|2,0,0]=4 876 B19R3.181097 Ic1cc2ncnc(c2s1)N3CCCOCC3 WXVL_AN00350LR0012 [0,1,0,0,0,1|2,0,0]=4 877 B19R3.181097 O=C1Cc2c(ncnc2N3CCCOCC3)N1 WXVL_AN00350LP0135 [0,1,0,0,0,1|1,0,0]=3 878 B19R3.181097 O=C1Cc2c(ncnc2N3CCCOCC3)N1 WXVL_AN00350LP0135 [0,1,0,0,0,1|1,0,0]=3 879 B19R3.2337419 CC1CCCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00290LP0055 [0,1,0,0,0,1|2,0,0]=4 880 B19R3.2337419 CC1CCCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00290LP0055 [0,1,0,0,0,1|2,0,0]=4 881 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2[nH]cc3 WXVL_AN00873LP0194 [0,1,0,0,0,1|1,0,1]=4 882 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00873LP0055 [0,1,0,0,0,1|1,0,0]=3 883 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2cco3 WXVL_AN00873LP0417 [0,1,0,0,0,1|2,0,0]=4 884 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2ccs3 WXVL_AN00873LP0097 [0,1,0,0,0,1|2,0,0]=4 885 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2cn[nH]3 WXVL_AN00873PY0172 [0,1,0,0,0,1|2,0,0]=4 886 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2scc3 WXVL_AN00873LP0180 [0,1,0,0,0,1|2,0,0]=4 887 B19R3.2342854 CC1CCCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00326LP0055 [0,1,0,0,0,1|2,0,0]=4 888 B19R3.2342854 CC1CCCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00326LP0055 [0,1,0,0,0,1|2,0,0]=4 889 B19R3.2342854 O=C1CCN(CCN1)c2ncnc3c2cc[nH]3 WXVL_AN00585LP0055 [0,1,0,0,0,1|2,0,0]=4 890 B19R3.7689866 Brc1csc2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LR0445 [0,1,0,0,0,1|2,0,0]=4 891 B19R3.7689866 Cc1c[nH]c2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LP0065 [0,1,0,0,0,1|1,0,0]=3 892 B19R3.7689866 Cc1c[nH]c2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LP0065 [0,1,0,0,0,1|1,0,0]=3 893 B19R3.7689866 Cc1csc2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LP0115 [0,1,0,0,0,1|2,0,0]=4 894 B19R3.7689866 Cc1csc2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LP0115 [0,1,0,0,0,1|2,0,0]=4 895 B19R3.7689866 Cn1cnc2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LP0517 [0,1,0,0,0,1|0,0,2]=4 896 B19R3.7689866 Cn1cnc2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LP0517 [0,1,0,0,0,1|0,0,2]=4 897 B19R3.7689866 Ic1c[nH]c2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LR0005 [0,1,0,0,0,1|1,0,0]=3 898 B19R3.7689866 Ic1c[nH]c2c1c(ncn2)N3CCCOCC3 WXVL_AN00350LR0005 [0,1,0,0,0,1|1,0,0]=3 899 B19R3.7689866 Ic1n[nH]c2c1c(ncn2)N3CCCOCC3 WXVL_AN00350PY1247 [0,1,0,0,0,1|2,0,0]=4 900 B19R3.7689866 Ic1n[nH]c2c1c(ncn2)N3CCCOCC3 WXVL_AN00350PY1247 [0,1,0,0,0,1|2,0,0]=4 901 B19R3.6006 Cn1cc(c2c1ncnc2N3CCOCC3)Br WXVL_AN00478LP3354 [0,2,0,0,0,0|1,0,0]=3 902 B19R3.6006 Cn1cc(c2c1ncnc2N3CCOCC3)Br WXVL_AN00478LP3354 [0,2,0,0,0,0|1,0,0]=3 903 B19R3.6006 Cn1cc(c2c1ncnc2N3CCSCC3)Br WXVL_AN0896LP3354 [0,2,0,0,0,0|1,1,0]=4 904 B19R3.57968 C[C@@H]1COCCN1c2ncnc3c2[nH]cc3Br WXVL_AN00562LR0529 [0,2,0,0,0,0|1,0,1]=4 905 B19R3.57968 C[C@@H]1COCCN1c2ncnc3c2ccn3C WXVL_AN00562LP0456 [0,2,0,0,0,0|1,0,0]=3 906 B19R3.57968 C[C@@H]1COCCN1c2ncnc3c2cnn3C WXVL_AN00562LP3353 [0,2,0,0,0,0|2,0,0]=4 907 B19R3.57968 C[C@@H]1COCCN1c2ncnc3c2ncn3C WXVL_AN00562LP0352 [0,2,0,0,0,0|0,0,0]=2 908 B19R3.57968 C[C@@H]1COCCN1c2ncnc3c2scc3Br WXVL_AN00562LR0532 [0,2,0,0,0,0|2,0,0]=4 909 B19R3.57968 C[C@H]1CCCCN1c2ncnc3c2ccn3C WXVL_AN00851LP0456 [0,2,0,0,0,0|2,0,0]=4 910 B19R3.57968 C[C@H]1CCCCN1c2ncnc3c2ncn3C WXVL_AN00851LP0352 [0,2,0,0,0,0|1,0,0]=3 911 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2[nH]cc3Br WXVL_AN00472LR0529 [0,2,0,0,0,0|1,0,1]=4 912 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2[nH]cc3Br WXVL_AN00472LR0529 [0,2,0,0,0,0|1,0,1]=4 913 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2ccn3C WXVL_AN00472LP0456 [0,2,0,0,0,0|1,0,0]=3 914 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2ccn3C WXVL_AN00472LP0456 [0,2,0,0,0,0|1,0,0]=3 915 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2cnn3C WXVL_AN00472LP3353 [0,2,0,0,0,0|2,0,0]=4 916 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2cnn3C WXVL_AN00472LP3353 [0,2,0,0,0,0|2,0,0]=4 917 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2ncn3C WXVL_AN00472LP0352 [0,2,0,0,0,0|0,0,0]=2 918 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2ncn3C WXVL_AN00472LP0352 [0,2,0,0,0,0|0,0,0]=2 919 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2scc3Br WXVL_AN00472LR0532 [0,2,0,0,0,0|2,0,0]=4 920 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2scc3Br WXVL_AN00472LR0532 [0,2,0,0,0,0|2,0,0]=4 921 B19R3.57968 Cc1csc2c1ncnc2N3CCOC[C@@H]3C WXVL_AN00472LP0636 [0,2,0,0,0,0|2,0,0]=4 922 B19R3.57968 Cc1csc2c1ncnc2N3CCOC[C@@H]3C WXVL_AN00472LP0636 [0,2,0,0,0,0|2,0,0]=4 923 B19R3.57968 Cc1csc2c1ncnc2N3CCOC[C@H]3C WXVL_AN00562LP0636 [0,2,0,0,0,0|2,0,0]=4 924 B19R3.69035 Cn1c(cc2c1ncnc2N3CCOCC3)I WXVL_AN00478LR0283 [0,2,0,0,0,0|1,0,0]=3 925 B19R3.69035 Cn1c(cc2c1ncnc2N3CCOCC3)I WXVL_AN00478LR0283 [0,2,0,0,0,0|1,0,0]=3 926 B19R3.69035 Cn1c(cc2c1ncnc2N3CCSCC3)I WXVL_AN0896LR0283 [0,2,0,0,0,0|1,1,0]=4 927 B19R3.239595 C=C1CCN(CC1)c2ncnc3c2ccn3C WXVL_AN00121LP0456 [0,2,0,0,0,0|2,0,0]=4 928 B19R3.239595 C=C1CCN(CC1)c2ncnc3c2ccn3C WXVL_AN00121LP0456 [0,2,0,0,0,0|2,0,0]=4 929 B19R3.239595 C=C1CCN(CC1)c2ncnc3c2ncn3C WXVL_AN00121LP0352 [0,2,0,0,0,0|1,0,0]=3 930 B19R3.239595 C=C1CCN(CC1)c2ncnc3c2ncn3C WXVL_AN00121LP0352 [0,2,0,0,0,0|1,0,0]=3 931 B19R3.239595 CC1CCN(CC1)c2ncnc3c2ccn3C WXVL_AN0025LP0456 [0,2,0,0,0,0|2,0,0]=4 932 B19R3.239595 CC1CCN(CC1)c2ncnc3c2ccn3C WXVL_AN0025LP0456 [0,2,0,0,0,0|2,0,0]=4 933 B19R3.239595 CC1CCN(CC1)c2ncnc3c2ncn3C WXVL_AN0025LP0352 [0,2,0,0,0,0|1,0,0]=3 934 B19R3.239595 CC1CCN(CC1)c2ncnc3c2ncn3C WXVL_AN0025LP0352 [0,2,0,0,0,0|1,0,0]=3 935 B19R3.239595 CN1CCN(CC1)c2ncnc3c2ccn3C WXVL_AN00865LP0456 [0,2,0,0,0,0|2,0,0]=4 936 B19R3.239595 CN1CCN(CC1)c2ncnc3c2ncn3C WXVL_AN00865LP0352 [0,2,0,0,0,0|1,0,0]=3 937 B19R3.239595 Cn1ccc2c1ncnc2N3CCC(CC3)Br WXVL_AN00579LP0456 [0,2,0,0,0,0|2,0,0]=4 938 B19R3.239595 Cn1ccc2c1ncnc2N3CCC(CC3)F WXVL_AN0279LP0456 [0,2,0,0,0,0|2,0,0]=4 939 B19R3.239595 Cn1ccc2c1ncnc2N3CCC(CC3)O WXVL_AN0023LP0456 [0,2,0,0,0,0|2,0,0]=4 940 B19R3.239595 Cn1ccc2c1ncnc2N3CCC(CC3)O WXVL_AN0023LP0456 [0,2,0,0,0,0|2,0,0]=4 941 B19R3.239595 Cn1ccc2c1ncnc2N3CCS(=O)CC3 WXVL_AN00655LP0456 [0,2,0,0,0,0|1,1,0]=4 942 B19R3.239595 Cn1cnc2c1ncnc2N3CCC(CC3)Br WXVL_AN00579LP0352 [0,2,0,0,0,0|1,0,0]=3 943 B19R3.239595 Cn1cnc2c1ncnc2N3CCC(CC3)F WXVL_AN0279LP0352 [0,2,0,0,0,0|1,0,0]=3 944 B19R3.239595 Cn1cnc2c1ncnc2N3CCC(CC3)O WXVL_AN0023LP0352 [0,2,0,0,0,0|1,0,0]=3 945 B19R3.239595 Cn1cnc2c1ncnc2N3CCC(CC3)O WXVL_AN0023LP0352 [0,2,0,0,0,0|1,0,0]=3 946 B19R3.239595 Cn1cnc2c1ncnc2N3CCS(=O)CC3 WXVL_AN00655LP0352 [0,2,0,0,0,0|0,1,0]=3 947 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2[nH]cc3Br WXVL_AN0569LR0529 [0,2,0,0,0,0|1,0,1]=4 948 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2ccn3C WXVL_AN0569LP0456 [0,2,0,0,0,0|1,0,0]=3 949 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2cnn3C WXVL_AN0569LP3353 [0,2,0,0,0,0|2,0,0]=4 950 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2ncn3C WXVL_AN0569LP0352 [0,2,0,0,0,0|0,0,0]=2 951 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2scc3Br WXVL_AN0569LR0532 [0,2,0,0,0,0|2,0,0]=4 952 B19R3.2145874 C[C@@H]1CCCN(C1)c2ncnc3c2ccn3C WXVL_AN00782LP0456 [0,2,0,0,0,0|2,0,0]=4 953 B19R3.2145874 C[C@@H]1CCCN(C1)c2ncnc3c2ncn3C WXVL_AN00782LP0352 [0,2,0,0,0,0|1,0,0]=3 954 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2[nH]cc3Br WXVL_AN00210LR0529 [0,2,0,0,0,0|1,0,1]=4 955 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2[nH]cc3Br WXVL_AN00210LR0529 [0,2,0,0,0,0|1,0,1]=4 956 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2ccn3C WXVL_AN00210LP0456 [0,2,0,0,0,0|1,0,0]=3 957 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2ccn3C WXVL_AN00210LP0456 [0,2,0,0,0,0|1,0,0]=3 958 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2cnn3C WXVL_AN00210LP3353 [0,2,0,0,0,0|2,0,0]=4 959 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2cnn3C WXVL_AN00210LP3353 [0,2,0,0,0,0|2,0,0]=4 960 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2ncn3C WXVL_AN00210LP0352 [0,2,0,0,0,0|0,0,0]=2 961 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2ncn3C WXVL_AN00210LP0352 [0,2,0,0,0,0|0,0,0]=2 962 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2scc3Br WXVL_AN00210LR0532 [0,2,0,0,0,0|2,0,0]=4 963 B19R3.2145874 C[C@@H]1CN(CCO1)c2ncnc3c2scc3Br WXVL_AN00210LR0532 [0,2,0,0,0,0|2,0,0]=4 964 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3Br WXVL_AN00212LR0529 [0,2,0,0,0,0|1,0,1]=4 965 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3Br WXVL_AN00212LR0529 [0,2,0,0,0,0|1,0,1]=4 966 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2ccn3C WXVL_AN00212LP0456 [0,2,0,0,0,0|1,0,0]=3 967 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2ccn3C WXVL_AN00212LP0456 [0,2,0,0,0,0|1,0,0]=3 968 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2cnn3C WXVL_AN00212LP3353 [0,2,0,0,0,0|2,0,0]=4 969 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2cnn3C WXVL_AN00212LP3353 [0,2,0,0,0,0|2,0,0]=4 970 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2ncn3C WXVL_AN00212LP0352 [0,2,0,0,0,0|0,0,0]=2 971 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2ncn3C WXVL_AN00212LP0352 [0,2,0,0,0,0|0,0,0]=2 972 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2scc3Br WXVL_AN00212LR0532 [0,2,0,0,0,0|2,0,0]=4 973 B19R3.2145874 C[C@H]1CN(CCO1)c2ncnc3c2scc3Br WXVL_AN00212LR0532 [0,2,0,0,0,0|2,0,0]=4 974 B19R3.2145874 Cc1csc2c1ncnc2N3CCOC(C3)C WXVL_AN0569LP0636 [0,2,0,0,0,0|2,0,0]=4 975 B19R3.2145874 Cc1csc2c1ncnc2N3CCOC(C3)O WXVL_AN00776LP0636 [0,2,0,0,0,0|2,0,0]=4 976 B19R3.2145874 Cc1csc2c1ncnc2N3CCO[C@@H](C3)C WXVL_AN00210LP0636 [0,2,0,0,0,0|2,0,0]=4 977 B19R3.2145874 Cc1csc2c1ncnc2N3CCO[C@@H](C3)C WXVL_AN00210LP0636 [0,2,0,0,0,0|2,0,0]=4 978 B19R3.2145874 Cc1csc2c1ncnc2N3CCO[C@H](C3)C WXVL_AN00212LP0636 [0,2,0,0,0,0|2,0,0]=4 979 B19R3.2145874 Cc1csc2c1ncnc2N3CCO[C@H](C3)C WXVL_AN00212LP0636 [0,2,0,0,0,0|2,0,0]=4 980 B19R3.2145874 Cn1ccc2c1ncnc2N3CCCC(C3)Br WXVL_AN00704LP0456 [0,2,0,0,0,0|2,0,0]=4 981 B19R3.2145874 Cn1ccc2c1ncnc2N3CCCC(C3)F WXVL_AN2271LP0456 [0,2,0,0,0,0|2,0,0]=4 982 B19R3.2145874 Cn1ccc2c1ncnc2N3CCCC(C3)F WXVL_AN2271LP0456 [0,2,0,0,0,0|2,0,0]=4 983 B19R3.2145874 Cn1ccc2c1ncnc2N3CCCC(C3)O WXVL_AN0622LP0456 [0,2,0,0,0,0|2,0,0]=4 984 B19R3.2145874 Cn1ccc2c1ncnc2N3CCC[C@H](C3)O WXVL_AN00535LP0456 [0,2,0,0,0,0|2,0,0]=4 985 B19R3.2145874 Cn1ccc2c1ncnc2N3CCOC(=O)C3 WXVL_AN4960LP0456 [0,2,0,0,0,0|1,0,1]=4 986 B19R3.2145874 Cn1ccc2c1ncnc2N3CCOC(C3)O WXVL_AN00776LP0456 [0,2,0,0,0,0|1,0,0]=3 987 B19R3.2145874 Cn1cnc2c1ncnc2N3CCCC(C3)Br WXVL_AN00704LP0352 [0,2,0,0,0,0|1,0,0]=3 988 B19R3.2145874 Cn1cnc2c1ncnc2N3CCCC(C3)F WXVL_AN2271LP0352 [0,2,0,0,0,0|1,0,0]=3 989 B19R3.2145874 Cn1cnc2c1ncnc2N3CCCC(C3)F WXVL_AN2271LP0352 [0,2,0,0,0,0|1,0,0]=3 990 B19R3.2145874 Cn1cnc2c1ncnc2N3CCCC(C3)O WXVL_AN0622LP0352 [0,2,0,0,0,0|1,0,0]=3 991 B19R3.2145874 Cn1cnc2c1ncnc2N3CCC[C@H](C3)O WXVL_AN00535LP0352 [0,2,0,0,0,0|1,0,0]=3 992 B19R3.2145874 Cn1cnc2c1ncnc2N3CCNC(=O)C3 WXVL_AN0102LP0352 [0,2,0,0,0,0|1,0,1]=4 993 B19R3.2145874 Cn1cnc2c1ncnc2N3CCNC(=O)C3 WXVL_AN0102LP0352 [0,2,0,0,0,0|1,0,1]=4 994 B19R3.2145874 Cn1cnc2c1ncnc2N3CCOC(=O)C3 WXVL_AN4960LP0352 [0,2,0,0,0,0|0,0,1]=3 995 B19R3.2145874 Cn1cnc2c1ncnc2N3CCOC(C3)O WXVL_AN00776LP0352 [0,2,0,0,0,0|0,0,0]=2 996 B19R3.2145874 Cn1ncc2c1ncnc2N3CCOC(C3)O WXVL_AN00776LP3353 [0,2,0,0,0,0|2,0,0]=4 997 B19R3.2145874 OC1CN(CCO1)c2ncnc3c2[nH]cc3Br WXVL_AN00776LR0529 [0,2,0,0,0,0|1,0,1]=4 998 B19R3.2145874 OC1CN(CCO1)c2ncnc3c2scc3Br WXVL_AN00776LR0532 [0,2,0,0,0,0|2,0,0]=4 999 B19R3.506 CNc1nc(c2sccc2n1)N3CCOCC3 WXVL_AK00442LP0461 [0,2,0,0,0,0|2,0,0]=4 1000 B19R3.506 CNc1nc(c2sccc2n1)N3CCOCC3 WXVL_AK00442LP0461 [0,2,0,0,0,0|2,0,0]=4 1001 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCOC(C3)C WXVL_AN0569PY0466 [0,2,0,0,0,0|2,0,0]=4 1002 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCOC(C3)O WXVL_AN00776PY0466 [0,2,0,0,0,0|2,0,0]=4 1003 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCO[C@@H](C3)C WXVL_AN00210PY0466 [0,2,0,0,0,0|2,0,0]=4 1004 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCO[C@@H](C3)C WXVL_AN00210PY0466 [0,2,0,0,0,0|2,0,0]=4 1005 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCO[C@H](C3)C WXVL_AN00212PY0466 [0,2,0,0,0,0|2,0,0]=4 1006 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCO[C@H](C3)C WXVL_AN00212PY0466 [0,2,0,0,0,0|2,0,0]=4 1007 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCOC(C3)C WXVL_AN0569LP0092 [0,2,0,0,0,0|2,0,0]=4 1008 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCOC(C3)O WXVL_AN00776LP0092 [0,2,0,0,0,0|2,0,0]=4 1009 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCO[C@@H](C3)C WXVL_AN00210LP0092 [0,2,0,0,0,0|2,0,0]=4 1010 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCO[C@@H](C3)C WXVL_AN00210LP0092 [0,2,0,0,0,0|2,0,0]=4 1011 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCO[C@H](C3)C WXVL_AN00212LP0092 [0,2,0,0,0,0|2,0,0]=4 1012 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCO[C@H](C3)C WXVL_AN00212LP0092 [0,2,0,0,0,0|2,0,0]=4 1013 B19R3.2370798 Cc1nc(c2cn[nH]c2n1)N3CCOC[C@@H]3C WXVL_AN00472PY0466 [0,2,0,0,0,0|2,0,0]=4 1014 B19R3.2370798 Cc1nc(c2cn[nH]c2n1)N3CCOC[C@@H]3C WXVL_AN00472PY0466 [0,2,0,0,0,0|2,0,0]=4 1015 B19R3.2370798 Cc1nc(c2cn[nH]c2n1)N3CCOC[C@H]3C WXVL_AN00562PY0466 [0,2,0,0,0,0|2,0,0]=4 1016 B19R3.2370798 Cc1nc(c2sccc2n1)N3CCOC[C@@H]3C WXVL_AN00472LP0092 [0,2,0,0,0,0|2,0,0]=4 1017 B19R3.2370798 Cc1nc(c2sccc2n1)N3CCOC[C@@H]3C WXVL_AN00472LP0092 [0,2,0,0,0,0|2,0,0]=4 1018 B19R3.2370798 Cc1nc(c2sccc2n1)N3CCOC[C@H]3C WXVL_AN00562LP0092 [0,2,0,0,0,0|2,0,0]=4 1019 B19R3.4146 C[C@@H]1COCCN1c2ncnc3c2CC(=O)N3 WXVL_AN00562LP0135 [0,2,0,0,0,0|1,0,0]=3 1020 B19R3.4146 C[C@@H]1COCCN1c2ncnc3c2cc([nH]3)Br WXVL_AN00562LR0533 [0,2,0,0,0,0|1,0,0]=3 1021 B19R3.4146 C[C@@H]1COCCN1c2ncnc3c2cc(s3)Br WXVL_AN00562LR0544 [0,2,0,0,0,0|2,0,0]=4 1022 B19R3.4146 C[C@@H]1COCCN1c2ncnc3c2sc(c3)Br WXVL_AN00562LR0534 [0,2,0,0,0,0|2,0,0]=4 1023 B19R3.4146 C[C@@H]1COCCN1c2ncnc3c2sc(c3)I WXVL_AN00562LR0012 [0,2,0,0,0,0|2,0,0]=4 1024 B19R3.4146 C[C@H]1CCCCN1c2ncnc3c2CC(=O)N3 WXVL_AN00851LP0135 [0,2,0,0,0,0|2,0,0]=4 1025 B19R3.4146 C[C@H]1CCCCN1c2ncnc3c2cc([nH]3)Br WXVL_AN00851LR0533 [0,2,0,0,0,0|2,0,0]=4 1026 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2CC(=O)N3 WXVL_AN00472LP0135 [0,2,0,0,0,0|1,0,0]=3 1027 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2CC(=O)N3 WXVL_AN00472LP0135 [0,2,0,0,0,0|1,0,0]=3 1028 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2cc([nH]3)Br WXVL_AN00472LR0533 [0,2,0,0,0,0|1,0,0]=3 1029 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2cc([nH]3)Br WXVL_AN00472LR0533 [0,2,0,0,0,0|1,0,0]=3 1030 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2cc(s3)Br WXVL_AN00472LR0544 [0,2,0,0,0,0|2,0,0]=4 1031 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2cc(s3)Br WXVL_AN00472LR0544 [0,2,0,0,0,0|2,0,0]=4 1032 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2sc(c3)Br WXVL_AN00472LR0534 [0,2,0,0,0,0|2,0,0]=4 1033 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2sc(c3)Br WXVL_AN00472LR0534 [0,2,0,0,0,0|2,0,0]=4 1034 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2sc(c3)I WXVL_AN00472LR0012 [0,2,0,0,0,0|2,0,0]=4 1035 B19R3.4146 C[C@H]1COCCN1c2ncnc3c2sc(c3)I WXVL_AN00472LR0012 [0,2,0,0,0,0|2,0,0]=4 1036 B19R3.4146 Cc1cc2c(ncnc2[nH]1)N3CCCC[C@@H]3C WXVL_AN00851LP0780 [0,2,0,0,0,0|2,0,0]=4 1037 B19R3.4146 Cc1cc2c(ncnc2[nH]1)N3CCOC[C@@H]3C WXVL_AN00472LP0780 [0,2,0,0,0,0|1,0,0]=3 1038 B19R3.4146 Cc1cc2c(ncnc2[nH]1)N3CCOC[C@@H]3C WXVL_AN00472LP0780 [0,2,0,0,0,0|1,0,0]=3 1039 B19R3.4146 Cc1cc2c(ncnc2[nH]1)N3CCOC[C@H]3C WXVL_AN00562LP0780 [0,2,0,0,0,0|1,0,0]=3 1040 B19R3.4146 Cc1nc2c(ncnc2[nH]1)N3CCCC[C@@H]3C WXVL_AN00851LP3356 [0,2,0,0,0,0|1,0,0]=3 1041 B19R3.4146 Cc1nc2c(ncnc2[nH]1)N3CCOC[C@@H]3C WXVL_AN00472LP3356 [0,2,0,0,0,0|0,0,0]=2 1042 B19R3.4146 Cc1nc2c(ncnc2[nH]1)N3CCOC[C@@H]3C WXVL_AN00472LP3356 [0,2,0,0,0,0|0,0,0]=2 1043 B19R3.4146 Cc1nc2c(ncnc2[nH]1)N3CCOC[C@H]3C WXVL_AN00562LP3356 [0,2,0,0,0,0|0,0,0]=2 1044 B19R3.12746 Brc1cc2c(ncnc2[nH]1)N3CCC(CC3)Br WXVL_AN00579LR0533 [0,2,0,0,0,0|2,0,0]=4 1045 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2CC(=O)N3 WXVL_AN00121LP0135 [0,2,0,0,0,0|2,0,0]=4 1046 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2CC(=O)N3 WXVL_AN00121LP0135 [0,2,0,0,0,0|2,0,0]=4 1047 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN00121LR0533 [0,2,0,0,0,0|2,0,0]=4 1048 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN00121LR0533 [0,2,0,0,0,0|2,0,0]=4 1049 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2cc([nH]3)C WXVL_AN00121LP0780 [0,2,0,0,0,0|2,0,0]=4 1050 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2cc([nH]3)C WXVL_AN00121LP0780 [0,2,0,0,0,0|2,0,0]=4 1051 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2nc([nH]3)C WXVL_AN00121LP3356 [0,2,0,0,0,0|1,0,0]=3 1052 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2nc([nH]3)C WXVL_AN00121LP3356 [0,2,0,0,0,0|1,0,0]=3 1053 B19R3.12746 CC1CCN(CC1)c2ncnc3c2CC(=O)N3 WXVL_AN0025LP0135 [0,2,0,0,0,0|2,0,0]=4 1054 B19R3.12746 CC1CCN(CC1)c2ncnc3c2CC(=O)N3 WXVL_AN0025LP0135 [0,2,0,0,0,0|2,0,0]=4 1055 B19R3.12746 CC1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN0025LR0533 [0,2,0,0,0,0|2,0,0]=4 1056 B19R3.12746 CC1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN0025LR0533 [0,2,0,0,0,0|2,0,0]=4 1057 B19R3.12746 CN1CCN(CC1)c2ncnc3c2CC(=O)N3 WXVL_AN00865LP0135 [0,2,0,0,0,0|2,0,0]=4 1058 B19R3.12746 CN1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN00865LR0533 [0,2,0,0,0,0|2,0,0]=4 1059 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)Br WXVL_AN00579LP0780 [0,2,0,0,0,0|2,0,0]=4 1060 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)C WXVL_AN0025LP0780 [0,2,0,0,0,0|2,0,0]=4 1061 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)C WXVL_AN0025LP0780 [0,2,0,0,0,0|2,0,0]=4 1062 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)F WXVL_AN0279LP0780 [0,2,0,0,0,0|2,0,0]=4 1063 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)O WXVL_AN0023LP0780 [0,2,0,0,0,0|2,0,0]=4 1064 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)O WXVL_AN0023LP0780 [0,2,0,0,0,0|2,0,0]=4 1065 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCN(CC3)C WXVL_AN00865LP0780 [0,2,0,0,0,0|2,0,0]=4 1066 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCS(=O)CC3 WXVL_AN00655LP0780 [0,2,0,0,0,0|1,1,0]=4 1067 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCC(CC3)Br WXVL_AN00579LP3356 [0,2,0,0,0,0|1,0,0]=3 1068 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCC(CC3)C WXVL_AN0025LP3356 [0,2,0,0,0,0|1,0,0]=3 1069 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCC(CC3)C WXVL_AN0025LP3356 [0,2,0,0,0,0|1,0,0]=3 1070 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCC(CC3)F WXVL_AN0279LP3356 [0,2,0,0,0,0|1,0,0]=3 1071 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCC(CC3)O WXVL_AN0023LP3356 [0,2,0,0,0,0|1,0,0]=3 1072 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCC(CC3)O WXVL_AN0023LP3356 [0,2,0,0,0,0|1,0,0]=3 1073 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCN(CC3)C WXVL_AN00865LP3356 [0,2,0,0,0,0|1,0,0]=3 1074 B19R3.12746 Cc1nc2c(ncnc2[nH]1)N3CCS(=O)CC3 WXVL_AN00655LP3356 [0,2,0,0,0,0|0,1,0]=3 1075 B19R3.12746 FC1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN0279LR0533 [0,2,0,0,0,0|2,0,0]=4 1076 B19R3.12746 O=C1Cc2c(ncnc2N3CCC(CC3)Br)N1 WXVL_AN00579LP0135 [0,2,0,0,0,0|2,0,0]=4 1077 B19R3.12746 O=C1Cc2c(ncnc2N3CCC(CC3)F)N1 WXVL_AN0279LP0135 [0,2,0,0,0,0|2,0,0]=4 1078 B19R3.12746 O=C1Cc2c(ncnc2N3CCC(CC3)O)N1 WXVL_AN0023LP0135 [0,2,0,0,0,0|2,0,0]=4 1079 B19R3.12746 O=C1Cc2c(ncnc2N3CCC(CC3)O)N1 WXVL_AN0023LP0135 [0,2,0,0,0,0|2,0,0]=4 1080 B19R3.12746 O=C1Cc2c(ncnc2N3CCS(=O)CC3)N1 WXVL_AN00655LP0135 [0,2,0,0,0,0|1,1,0]=4 1081 B19R3.12746 O=S1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN00655LR0533 [0,2,0,0,0,0|1,1,0]=4 1082 B19R3.12746 OC1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN0023LR0533 [0,2,0,0,0,0|2,0,0]=4 1083 B19R3.12746 OC1CCN(CC1)c2ncnc3c2cc([nH]3)Br WXVL_AN0023LR0533 [0,2,0,0,0,0|2,0,0]=4 1084 B19R3.181904 Brc1cc2c(ncnc2[nH]1)N3CCCC(C3)Br WXVL_AN00704LR0533 [0,2,0,0,0,0|2,0,0]=4 1085 B19R3.181904 CC1CN(CCO1)c2ncnc3c2CC(=O)N3 WXVL_AN0569LP0135 [0,2,0,0,0,0|1,0,0]=3 1086 B19R3.181904 CC1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN0569LR0533 [0,2,0,0,0,0|1,0,0]=3 1087 B19R3.181904 CC1CN(CCO1)c2ncnc3c2cc(s3)Br WXVL_AN0569LR0544 [0,2,0,0,0,0|2,0,0]=4 1088 B19R3.181904 CC1CN(CCO1)c2ncnc3c2sc(c3)Br WXVL_AN0569LR0534 [0,2,0,0,0,0|2,0,0]=4 1089 B19R3.181904 CC1CN(CCO1)c2ncnc3c2sc(c3)I WXVL_AN0569LR0012 [0,2,0,0,0,0|2,0,0]=4 1090 B19R3.181904 C[C@@H]1CCCN(C1)c2ncnc3c2CC(=O)N3 WXVL_AN00782LP0135 [0,2,0,0,0,0|2,0,0]=4 1091 B19R3.181904 C[C@@H]1CCCN(C1)c2ncnc3c2cc([nH]3)Br WXVL_AN00782LR0533 [0,2,0,0,0,0|2,0,0]=4 1092 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2CC(=O)N3 WXVL_AN00210LP0135 [0,2,0,0,0,0|1,0,0]=3 1093 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2CC(=O)N3 WXVL_AN00210LP0135 [0,2,0,0,0,0|1,0,0]=3 1094 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN00210LR0533 [0,2,0,0,0,0|1,0,0]=3 1095 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN00210LR0533 [0,2,0,0,0,0|1,0,0]=3 1096 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2cc(s3)Br WXVL_AN00210LR0544 [0,2,0,0,0,0|2,0,0]=4 1097 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2cc(s3)Br WXVL_AN00210LR0544 [0,2,0,0,0,0|2,0,0]=4 1098 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2sc(c3)Br WXVL_AN00210LR0534 [0,2,0,0,0,0|2,0,0]=4 1099 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2sc(c3)Br WXVL_AN00210LR0534 [0,2,0,0,0,0|2,0,0]=4 1100 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2sc(c3)I WXVL_AN00210LR0012 [0,2,0,0,0,0|2,0,0]=4 1101 B19R3.181904 C[C@@H]1CN(CCO1)c2ncnc3c2sc(c3)I WXVL_AN00210LR0012 [0,2,0,0,0,0|2,0,0]=4 1102 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2CC(=O)N3 WXVL_AN00212LP0135 [0,2,0,0,0,0|1,0,0]=3 1103 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2CC(=O)N3 WXVL_AN00212LP0135 [0,2,0,0,0,0|1,0,0]=3 1104 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN00212LR0533 [0,2,0,0,0,0|1,0,0]=3 1105 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN00212LR0533 [0,2,0,0,0,0|1,0,0]=3 1106 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2cc(s3)Br WXVL_AN00212LR0544 [0,2,0,0,0,0|2,0,0]=4 1107 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2cc(s3)Br WXVL_AN00212LR0544 [0,2,0,0,0,0|2,0,0]=4 1108 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2sc(c3)Br WXVL_AN00212LR0534 [0,2,0,0,0,0|2,0,0]=4 1109 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2sc(c3)Br WXVL_AN00212LR0534 [0,2,0,0,0,0|2,0,0]=4 1110 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2sc(c3)I WXVL_AN00212LR0012 [0,2,0,0,0,0|2,0,0]=4 1111 B19R3.181904 C[C@H]1CN(CCO1)c2ncnc3c2sc(c3)I WXVL_AN00212LR0012 [0,2,0,0,0,0|2,0,0]=4 1112 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCCC(C3)Br WXVL_AN00704LP0780 [0,2,0,0,0,0|2,0,0]=4 1113 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCCC(C3)F WXVL_AN2271LP0780 [0,2,0,0,0,0|2,0,0]=4 1114 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCCC(C3)F WXVL_AN2271LP0780 [0,2,0,0,0,0|2,0,0]=4 1115 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCCC(C3)O WXVL_AN0622LP0780 [0,2,0,0,0,0|2,0,0]=4 1116 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCC[C@H](C3)C WXVL_AN00782LP0780 [0,2,0,0,0,0|2,0,0]=4 1117 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCC[C@H](C3)O WXVL_AN00535LP0780 [0,2,0,0,0,0|2,0,0]=4 1118 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCOC(=O)C3 WXVL_AN4960LP0780 [0,2,0,0,0,0|1,0,1]=4 1119 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCOC(C3)C WXVL_AN0569LP0780 [0,2,0,0,0,0|1,0,0]=3 1120 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCOC(C3)O WXVL_AN00776LP0780 [0,2,0,0,0,0|1,0,0]=3 1121 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCO[C@@H](C3)C WXVL_AN00210LP0780 [0,2,0,0,0,0|1,0,0]=3 1122 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCO[C@@H](C3)C WXVL_AN00210LP0780 [0,2,0,0,0,0|1,0,0]=3 1123 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCO[C@H](C3)C WXVL_AN00212LP0780 [0,2,0,0,0,0|1,0,0]=3 1124 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCO[C@H](C3)C WXVL_AN00212LP0780 [0,2,0,0,0,0|1,0,0]=3 1125 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCCC(C3)Br WXVL_AN00704LP3356 [0,2,0,0,0,0|1,0,0]=3 1126 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCCC(C3)F WXVL_AN2271LP3356 [0,2,0,0,0,0|1,0,0]=3 1127 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCCC(C3)F WXVL_AN2271LP3356 [0,2,0,0,0,0|1,0,0]=3 1128 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCCC(C3)O WXVL_AN0622LP3356 [0,2,0,0,0,0|1,0,0]=3 1129 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCC[C@H](C3)C WXVL_AN00782LP3356 [0,2,0,0,0,0|1,0,0]=3 1130 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCC[C@H](C3)O WXVL_AN00535LP3356 [0,2,0,0,0,0|1,0,0]=3 1131 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCNC(=O)C3 WXVL_AN0102LP3356 [0,2,0,0,0,0|1,0,1]=4 1132 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCNC(=O)C3 WXVL_AN0102LP3356 [0,2,0,0,0,0|1,0,1]=4 1133 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCOC(=O)C3 WXVL_AN4960LP3356 [0,2,0,0,0,0|0,0,1]=3 1134 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCOC(C3)C WXVL_AN0569LP3356 [0,2,0,0,0,0|0,0,0]=2 1135 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCOC(C3)O WXVL_AN00776LP3356 [0,2,0,0,0,0|0,0,0]=2 1136 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCO[C@@H](C3)C WXVL_AN00210LP3356 [0,2,0,0,0,0|0,0,0]=2 1137 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCO[C@@H](C3)C WXVL_AN00210LP3356 [0,2,0,0,0,0|0,0,0]=2 1138 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCO[C@H](C3)C WXVL_AN00212LP3356 [0,2,0,0,0,0|0,0,0]=2 1139 B19R3.181904 Cc1nc2c(ncnc2[nH]1)N3CCO[C@H](C3)C WXVL_AN00212LP3356 [0,2,0,0,0,0|0,0,0]=2 1140 B19R3.181904 FC1CCCN(C1)c2ncnc3c2cc([nH]3)Br WXVL_AN2271LR0533 [0,2,0,0,0,0|2,0,0]=4 1141 B19R3.181904 FC1CCCN(C1)c2ncnc3c2cc([nH]3)Br WXVL_AN2271LR0533 [0,2,0,0,0,0|2,0,0]=4 1142 B19R3.181904 O=C1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN4960LR0533 [0,2,0,0,0,0|1,0,1]=4 1143 B19R3.181904 O=C1Cc2c(ncnc2N3CCCC(C3)Br)N1 WXVL_AN00704LP0135 [0,2,0,0,0,0|2,0,0]=4 1144 B19R3.181904 O=C1Cc2c(ncnc2N3CCCC(C3)F)N1 WXVL_AN2271LP0135 [0,2,0,0,0,0|2,0,0]=4 1145 B19R3.181904 O=C1Cc2c(ncnc2N3CCCC(C3)F)N1 WXVL_AN2271LP0135 [0,2,0,0,0,0|2,0,0]=4 1146 B19R3.181904 O=C1Cc2c(ncnc2N3CCCC(C3)O)N1 WXVL_AN0622LP0135 [0,2,0,0,0,0|2,0,0]=4 1147 B19R3.181904 O=C1Cc2c(ncnc2N3CCC[C@H](C3)O)N1 WXVL_AN00535LP0135 [0,2,0,0,0,0|2,0,0]=4 1148 B19R3.181904 O=C1Cc2c(ncnc2N3CCOC(=O)C3)N1 WXVL_AN4960LP0135 [0,2,0,0,0,0|1,0,1]=4 1149 B19R3.181904 O=C1Cc2c(ncnc2N3CCOC(C3)O)N1 WXVL_AN00776LP0135 [0,2,0,0,0,0|1,0,0]=3 1150 B19R3.181904 OC1CCCN(C1)c2ncnc3c2cc([nH]3)Br WXVL_AN0622LR0533 [0,2,0,0,0,0|2,0,0]=4 1151 B19R3.181904 OC1CN(CCO1)c2ncnc3c2cc([nH]3)Br WXVL_AN00776LR0533 [0,2,0,0,0,0|1,0,0]=3 1152 B19R3.181904 OC1CN(CCO1)c2ncnc3c2cc(s3)Br WXVL_AN00776LR0544 [0,2,0,0,0,0|2,0,0]=4 1153 B19R3.181904 OC1CN(CCO1)c2ncnc3c2sc(c3)Br WXVL_AN00776LR0534 [0,2,0,0,0,0|2,0,0]=4 1154 B19R3.181904 OC1CN(CCO1)c2ncnc3c2sc(c3)I WXVL_AN00776LR0012 [0,2,0,0,0,0|2,0,0]=4 1155 B19R3.181904 O[C@@H]1CCCN(C1)c2ncnc3c2cc([nH]3)Br WXVL_AN00535LR0533 [0,2,0,0,0,0|2,0,0]=4 1156 B19R3.2798 N#CC1CCCCN1c2ncnc3c2cc[nH]3 WXVL_AN00871LP0055 [0,2,0,0,0,0|2,0,0]=4 1157 B19R3.2798 OCC1CCCCN1c2ncnc3c2cc[nH]3 WXVL_AN0018LP0055 [0,2,0,0,0,0|2,0,0]=4 1158 B19R3.2798 OCC1CCCCN1c2ncnc3c2cc[nH]3 WXVL_AN0018LP0055 [0,2,0,0,0,0|2,0,0]=4 1159 B19R3.2798 OCC1COCCN1c2ncnc3c2[nH]cc3 WXVL_AN00501LP0194 [0,2,0,0,0,0|1,0,1]=4 1160 B19R3.2798 OCC1COCCN1c2ncnc3c2[nH]cc3 WXVL_AN00501LP0194 [0,2,0,0,0,0|1,0,1]=4 1161 B19R3.2798 OCC1COCCN1c2ncnc3c2cc[nH]3 WXVL_AN00501LP0055 [0,2,0,0,0,0|1,0,0]=3 1162 B19R3.2798 OCC1COCCN1c2ncnc3c2cc[nH]3 WXVL_AN00501LP0055 [0,2,0,0,0,0|1,0,0]=3 1163 B19R3.2798 OCC1COCCN1c2ncnc3c2cco3 WXVL_AN00501LP0417 [0,2,0,0,0,0|2,0,0]=4 1164 B19R3.2798 OCC1COCCN1c2ncnc3c2cco3 WXVL_AN00501LP0417 [0,2,0,0,0,0|2,0,0]=4 1165 B19R3.2798 OCC1COCCN1c2ncnc3c2ccs3 WXVL_AN00501LP0097 [0,2,0,0,0,0|2,0,0]=4 1166 B19R3.2798 OCC1COCCN1c2ncnc3c2ccs3 WXVL_AN00501LP0097 [0,2,0,0,0,0|2,0,0]=4 1167 B19R3.2798 OCC1COCCN1c2ncnc3c2cn[nH]3 WXVL_AN00501PY0172 [0,2,0,0,0,0|2,0,0]=4 1168 B19R3.2798 OCC1COCCN1c2ncnc3c2cn[nH]3 WXVL_AN00501PY0172 [0,2,0,0,0,0|2,0,0]=4 1169 B19R3.2798 OCC1COCCN1c2ncnc3c2scc3 WXVL_AN00501LP0180 [0,2,0,0,0,0|2,0,0]=4 1170 B19R3.2798 OCC1COCCN1c2ncnc3c2scc3 WXVL_AN00501LP0180 [0,2,0,0,0,0|2,0,0]=4 1171 B19R3.54579 CC1C(CCCN1c2ncnc3c2cc[nH]3)O WXVL_ANJ336LP0055 [0,2,0,0,0,0|2,0,0]=4 1172 B19R3.54579 CC1C(CCCN1c2ncnc3c2cc[nH]3)O WXVL_ANJ336LP0055 [0,2,0,0,0,0|2,0,0]=4 1173 B19R3.57928 C[C@@H]1COCCN1c2ncnc3c2c(c[nH]3)I WXVL_AN00562LR0005 [0,2,0,0,0,0|1,0,0]=3 1174 B19R3.57928 C[C@@H]1COCCN1c2ncnc3c2c(n[nH]3)I WXVL_AN00562PY1247 [0,2,0,0,0,0|2,0,0]=4 1175 B19R3.57928 C[C@@H]1COCCN1c2ncnc3c2n(cn3)C WXVL_AN00562LP0517 [0,2,0,0,0,0|0,0,2]=4 1176 B19R3.57928 C[C@H]1CCCCN1c2ncnc3c2c(c[nH]3)I WXVL_AN00851LR0005 [0,2,0,0,0,0|2,0,0]=4 1177 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2c(c[nH]3)I WXVL_AN00472LR0005 [0,2,0,0,0,0|1,0,0]=3 1178 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2c(c[nH]3)I WXVL_AN00472LR0005 [0,2,0,0,0,0|1,0,0]=3 1179 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2c(cs3)Br WXVL_AN00472LR0445 [0,2,0,0,0,0|2,0,0]=4 1180 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2c(n[nH]3)I WXVL_AN00472PY1247 [0,2,0,0,0,0|2,0,0]=4 1181 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2c(n[nH]3)I WXVL_AN00472PY1247 [0,2,0,0,0,0|2,0,0]=4 1182 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2n(cn3)C WXVL_AN00472LP0517 [0,2,0,0,0,0|0,0,2]=4 1183 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2n(cn3)C WXVL_AN00472LP0517 [0,2,0,0,0,0|0,0,2]=4 1184 B19R3.57928 Cc1c[nH]c2c1c(ncn2)N3CCCC[C@@H]3C WXVL_AN00851LP0065 [0,2,0,0,0,0|2,0,0]=4 1185 B19R3.57928 Cc1c[nH]c2c1c(ncn2)N3CCOC[C@@H]3C WXVL_AN00472LP0065 [0,2,0,0,0,0|1,0,0]=3 1186 B19R3.57928 Cc1c[nH]c2c1c(ncn2)N3CCOC[C@@H]3C WXVL_AN00472LP0065 [0,2,0,0,0,0|1,0,0]=3 1187 B19R3.57928 Cc1c[nH]c2c1c(ncn2)N3CCOC[C@H]3C WXVL_AN00562LP0065 [0,2,0,0,0,0|1,0,0]=3 1188 B19R3.57928 Cc1csc2c1c(ncn2)N3CCOC[C@@H]3C WXVL_AN00472LP0115 [0,2,0,0,0,0|2,0,0]=4 1189 B19R3.57928 Cc1csc2c1c(ncn2)N3CCOC[C@@H]3C WXVL_AN00472LP0115 [0,2,0,0,0,0|2,0,0]=4 1190 B19R3.57928 Cc1csc2c1c(ncn2)N3CCOC[C@H]3C WXVL_AN00562LP0115 [0,2,0,0,0,0|2,0,0]=4 1191 B19R3.60112 C[C@H]1CN(CCN1c2ncnc3c2cc[nH]3)C WXVL_AN3515LP0055 [0,2,0,0,0,0|2,0,0]=4 1192 B19R3.182445 C[C@H]1CCC[C@H](N1c2ncnc3c2cc[nH]3)C WXVL_AN3062LP0055 [0,2,0,0,0,0|2,0,0]=4 1193 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2[nH]cc3 WXVL_AN00745LP0194 [0,2,0,0,0,0|1,0,1]=4 1194 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2cc[nH]3 WXVL_AN00745LP0055 [0,2,0,0,0,0|1,0,0]=3 1195 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2cco3 WXVL_AN00745LP0417 [0,2,0,0,0,0|2,0,0]=4 1196 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2ccs3 WXVL_AN00745LP0097 [0,2,0,0,0,0|2,0,0]=4 1197 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2cn[nH]3 WXVL_AN00745PY0172 [0,2,0,0,0,0|2,0,0]=4 1198 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2scc3 WXVL_AN00745LP0180 [0,2,0,0,0,0|2,0,0]=4 1199 B19R3.2394699 CC1(CNCCN1c2ncnc3c2cc[nH]3)C WXVL_AN0953LP0055 [0,2,0,0,0,0|2,0,0]=4 1200 B19R3.4561 C#CC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00682LP0055 [0,2,0,0,0,0|2,0,0]=4 1201 B19R3.4561 COC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00392LP0055 [0,2,0,0,0,0|2,0,0]=4 1202 B19R3.4561 COC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00392LP0055 [0,2,0,0,0,0|2,0,0]=4 1203 B19R3.4561 CSC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN2780LP0055 [0,2,0,0,0,0|2,0,0]=4 1204 B19R3.4561 CSC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN2780LP0055 [0,2,0,0,0,0|2,0,0]=4 1205 B19R3.4561 FCC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00817LP0055 [0,2,0,0,0,0|2,0,0]=4 1206 B19R3.4561 N#CC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00014LP0055 [0,2,0,0,0,0|2,0,0]=4 1207 B19R3.4561 N#CC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00014LP0055 [0,2,0,0,0,0|2,0,0]=4 1208 B19R3.4561 O=CN1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN3592LP0055 [0,2,0,0,0,0|2,0,0]=4 1209 B19R3.4561 OCC1CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN0881LP0055 [0,2,0,0,0,0|2,0,0]=4 1210 B19R3.239555 BrC1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN00579LR0005 [0,2,0,0,0,0|2,0,0]=4 1211 B19R3.239555 C=C1CCN(CC1)c2ncnc3c2c(c[nH]3)C WXVL_AN00121LP0065 [0,2,0,0,0,0|2,0,0]=4 1212 B19R3.239555 C=C1CCN(CC1)c2ncnc3c2c(c[nH]3)C WXVL_AN00121LP0065 [0,2,0,0,0,0|2,0,0]=4 1213 B19R3.239555 C=C1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN00121LR0005 [0,2,0,0,0,0|2,0,0]=4 1214 B19R3.239555 C=C1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN00121LR0005 [0,2,0,0,0,0|2,0,0]=4 1215 B19R3.239555 CC1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN0025LR0005 [0,2,0,0,0,0|2,0,0]=4 1216 B19R3.239555 CC1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN0025LR0005 [0,2,0,0,0,0|2,0,0]=4 1217 B19R3.239555 CN1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN00865LR0005 [0,2,0,0,0,0|2,0,0]=4 1218 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)Br WXVL_AN00579LP0065 [0,2,0,0,0,0|2,0,0]=4 1219 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)C WXVL_AN0025LP0065 [0,2,0,0,0,0|2,0,0]=4 1220 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)C WXVL_AN0025LP0065 [0,2,0,0,0,0|2,0,0]=4 1221 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)F WXVL_AN0279LP0065 [0,2,0,0,0,0|2,0,0]=4 1222 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)O WXVL_AN0023LP0065 [0,2,0,0,0,0|2,0,0]=4 1223 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)O WXVL_AN0023LP0065 [0,2,0,0,0,0|2,0,0]=4 1224 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCN(CC3)C WXVL_AN00865LP0065 [0,2,0,0,0,0|2,0,0]=4 1225 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCS(=O)CC3 WXVL_AN00655LP0065 [0,2,0,0,0,0|1,1,0]=4 1226 B19R3.239555 FC1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN0279LR0005 [0,2,0,0,0,0|2,0,0]=4 1227 B19R3.239555 O=S1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN00655LR0005 [0,2,0,0,0,0|1,1,0]=4 1228 B19R3.239555 OC1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN0023LR0005 [0,2,0,0,0,0|2,0,0]=4 1229 B19R3.239555 OC1CCN(CC1)c2ncnc3c2c(c[nH]3)I WXVL_AN0023LR0005 [0,2,0,0,0,0|2,0,0]=4 1230 B19R3.240555 CC1CN(CCC1=O)c2ncnc3c2cc[nH]3 WXVL_AN0338LP0055 [0,2,0,0,0,0|2,0,0]=4 1231 B19R3.240555 CC1CN(CCC1O)c2ncnc3c2cc[nH]3 WXVL_AN00662LP0055 [0,2,0,0,0,0|2,0,0]=4 1232 B19R3.240555 C[C@@H]1CN(CCN1C)c2ncnc3c2cc[nH]3 WXVL_AN00646LP0055 [0,2,0,0,0,0|2,0,0]=4 1233 B19R3.240555 C[C@H]1CN(CCN1C)c2ncnc3c2cc[nH]3 WXVL_AN00724LP0055 [0,2,0,0,0,0|2,0,0]=4 1234 B19R3.240555 O[C@@H]1CCN(C[C@@H]1F)c2ncnc3c2cc[nH]3 WXVL_AN00742LP0055 [0,2,0,0,0,0|2,0,0]=4 1235 B19R3.240555 O[C@H]1CN(CC[C@H]1O)c2ncnc3c2cc[nH]3 WXVL_AN00722LP0055 [0,2,0,0,0,0|2,0,0]=4 1236 B19R3.7158914 CC1(CCN(CC1)c2ncnc3c2cc[nH]3)C WXVL_AN2415LP0055 [0,2,0,0,0,0|2,0,0]=4 1237 B19R3.7158914 CC1(CCN(CC1)c2ncnc3c2cc[nH]3)C WXVL_AN2415LP0055 [0,2,0,0,0,0|2,0,0]=4 1238 B19R3.7158914 CC1(CCN(CC1)c2ncnc3c2cc[nH]3)O WXVL_AN0307LP0055 [0,2,0,0,0,0|2,0,0]=4 1239 B19R3.7158914 FC1(CCN(CC1)c2ncnc3c2cc[nH]3)F WXVL_AN00129LP0055 [0,2,0,0,0,0|2,0,0]=4 1240 B19R3.7158914 FC1(CCN(CC1)c2ncnc3c2cc[nH]3)F WXVL_AN00129LP0055 [0,2,0,0,0,0|2,0,0]=4 1241 B19R3.7158914 O=S1(=O)CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00044LP0055 [0,2,0,0,0,0|1,1,0]=4 1242 B19R3.7158914 O=S1(=O)CCN(CC1)c2ncnc3c2cc[nH]3 WXVL_AN00044LP0055 [0,2,0,0,0,0|1,1,0]=4 1243 B19R3.25299 C#CC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00566LP0055 [0,2,0,0,0,0|2,0,0]=4 1244 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN8301LP0194 [0,2,0,0,0,0|1,0,1]=4 1245 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN8301LP0055 [0,2,0,0,0,0|1,0,0]=3 1246 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2cco3 WXVL_AN8301LP0417 [0,2,0,0,0,0|2,0,0]=4 1247 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN8301LP0097 [0,2,0,0,0,0|2,0,0]=4 1248 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN8301PY0172 [0,2,0,0,0,0|2,0,0]=4 1249 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2scc3 WXVL_AN8301LP0180 [0,2,0,0,0,0|2,0,0]=4 1250 B19R3.25299 CC[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00769LP0194 [0,2,0,0,0,0|1,0,1]=4 1251 B19R3.25299 CC[C@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00769LP0055 [0,2,0,0,0,0|1,0,0]=3 1252 B19R3.25299 CC[C@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00769LP0417 [0,2,0,0,0,0|2,0,0]=4 1253 B19R3.25299 CC[C@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00769LP0097 [0,2,0,0,0,0|2,0,0]=4 1254 B19R3.25299 CC[C@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00769PY0172 [0,2,0,0,0,0|2,0,0]=4 1255 B19R3.25299 CC[C@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00769LP0180 [0,2,0,0,0,0|2,0,0]=4 1256 B19R3.25299 COC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0119LP0055 [0,2,0,0,0,0|2,0,0]=4 1257 B19R3.25299 COC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0119LP0055 [0,2,0,0,0,0|2,0,0]=4 1258 B19R3.25299 CO[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00707LP0055 [0,2,0,0,0,0|2,0,0]=4 1259 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00773LP0194 [0,2,0,0,0,0|1,0,1]=4 1260 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00773LP0055 [0,2,0,0,0,0|1,0,0]=3 1261 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00773LP0417 [0,2,0,0,0,0|2,0,0]=4 1262 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00773LP0097 [0,2,0,0,0,0|2,0,0]=4 1263 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00773PY0172 [0,2,0,0,0,0|2,0,0]=4 1264 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00773LP0180 [0,2,0,0,0,0|2,0,0]=4 1265 B19R3.25299 N#C[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN9206LP0055 [0,2,0,0,0,0|2,0,0]=4 1266 B19R3.25299 N#C[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN9206LP0055 [0,2,0,0,0,0|2,0,0]=4 1267 B19R3.25299 OCC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0022LP0055 [0,2,0,0,0,0|2,0,0]=4 1268 B19R3.25299 OCC1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN0022LP0055 [0,2,0,0,0,0|2,0,0]=4 1269 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN0395LP0194 [0,2,0,0,0,0|1,0,1]=4 1270 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN0395LP0055 [0,2,0,0,0,0|1,0,0]=3 1271 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2cco3 WXVL_AN0395LP0417 [0,2,0,0,0,0|2,0,0]=4 1272 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN0395LP0097 [0,2,0,0,0,0|2,0,0]=4 1273 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN0395PY0172 [0,2,0,0,0,0|2,0,0]=4 1274 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2scc3 WXVL_AN0395LP0180 [0,2,0,0,0,0|2,0,0]=4 1275 B19R3.25299 OC[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 WXVL_AN00578LP0055 [0,2,0,0,0,0|2,0,0]=4 1276 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00397LP0194 [0,2,0,0,0,0|1,0,1]=4 1277 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2[nH]cc3 WXVL_AN00397LP0194 [0,2,0,0,0,0|1,0,1]=4 1278 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00397LP0055 [0,2,0,0,0,0|1,0,0]=3 1279 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2cc[nH]3 WXVL_AN00397LP0055 [0,2,0,0,0,0|1,0,0]=3 1280 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00397LP0417 [0,2,0,0,0,0|2,0,0]=4 1281 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2cco3 WXVL_AN00397LP0417 [0,2,0,0,0,0|2,0,0]=4 1282 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00397LP0097 [0,2,0,0,0,0|2,0,0]=4 1283 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2ccs3 WXVL_AN00397LP0097 [0,2,0,0,0,0|2,0,0]=4 1284 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00397PY0172 [0,2,0,0,0,0|2,0,0]=4 1285 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2cn[nH]3 WXVL_AN00397PY0172 [0,2,0,0,0,0|2,0,0]=4 1286 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00397LP0180 [0,2,0,0,0,0|2,0,0]=4 1287 B19R3.25299 OC[C@H]1CN(CCO1)c2ncnc3c2scc3 WXVL_AN00397LP0180 [0,2,0,0,0,0|2,0,0]=4 1288 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2[nH]cc3 WXVL_AN0080LP0194 [0,2,0,0,0,0|1,0,1]=4 1289 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2[nH]cc3 WXVL_AN0080LP0194 [0,2,0,0,0,0|1,0,1]=4 1290 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2cc[nH]3 WXVL_AN0080LP0055 [0,2,0,0,0,0|1,0,0]=3 1291 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2cc[nH]3 WXVL_AN0080LP0055 [0,2,0,0,0,0|1,0,0]=3 1292 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2cco3 WXVL_AN0080LP0417 [0,2,0,0,0,0|2,0,0]=4 1293 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2cco3 WXVL_AN0080LP0417 [0,2,0,0,0,0|2,0,0]=4 1294 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2ccs3 WXVL_AN0080LP0097 [0,2,0,0,0,0|2,0,0]=4 1295 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2ccs3 WXVL_AN0080LP0097 [0,2,0,0,0,0|2,0,0]=4 1296 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2cn[nH]3 WXVL_AN0080PY0172 [0,2,0,0,0,0|2,0,0]=4 1297 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2cn[nH]3 WXVL_AN0080PY0172 [0,2,0,0,0,0|2,0,0]=4 1298 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2scc3 WXVL_AN0080LP0180 [0,2,0,0,0,0|2,0,0]=4 1299 B19R3.2122942 C[C@H]1CN(C[C@H](O1)C)c2ncnc3c2scc3 WXVL_AN0080LP0180 [0,2,0,0,0,0|2,0,0]=4 1300 B19R3.2122942 C[C@H]1C[C@H](CN(C1)c2ncnc3c2cc[nH]3)C WXVL_AN00809LP0055 [0,2,0,0,0,0|2,0,0]=4 1301 B19R3.2145870 BrC1CCCN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN00704LR0005 [0,2,0,0,0,0|2,0,0]=4 1302 B19R3.2145870 CC1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN0569LR0005 [0,2,0,0,0,0|1,0,0]=3 1303 B19R3.2145870 CC1CN(CCO1)c2ncnc3c2c(n[nH]3)I WXVL_AN0569PY1247 [0,2,0,0,0,0|2,0,0]=4 1304 B19R3.2145870 CC1CN(CCO1)c2ncnc3c2n(cn3)C WXVL_AN0569LP0517 [0,2,0,0,0,0|0,0,2]=4 1305 B19R3.2145870 C[C@@H]1CCCN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN00782LR0005 [0,2,0,0,0,0|2,0,0]=4 1306 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN00210LR0005 [0,2,0,0,0,0|1,0,0]=3 1307 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN00210LR0005 [0,2,0,0,0,0|1,0,0]=3 1308 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2c(cs3)Br WXVL_AN00210LR0445 [0,2,0,0,0,0|2,0,0]=4 1309 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2c(n[nH]3)I WXVL_AN00210PY1247 [0,2,0,0,0,0|2,0,0]=4 1310 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2c(n[nH]3)I WXVL_AN00210PY1247 [0,2,0,0,0,0|2,0,0]=4 1311 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2n(cn3)C WXVL_AN00210LP0517 [0,2,0,0,0,0|0,0,2]=4 1312 B19R3.2145870 C[C@@H]1CN(CCO1)c2ncnc3c2n(cn3)C WXVL_AN00210LP0517 [0,2,0,0,0,0|0,0,2]=4 1313 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN00212LR0005 [0,2,0,0,0,0|1,0,0]=3 1314 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN00212LR0005 [0,2,0,0,0,0|1,0,0]=3 1315 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2c(cs3)Br WXVL_AN00212LR0445 [0,2,0,0,0,0|2,0,0]=4 1316 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2c(n[nH]3)I WXVL_AN00212PY1247 [0,2,0,0,0,0|2,0,0]=4 1317 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2c(n[nH]3)I WXVL_AN00212PY1247 [0,2,0,0,0,0|2,0,0]=4 1318 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2n(cn3)C WXVL_AN00212LP0517 [0,2,0,0,0,0|0,0,2]=4 1319 B19R3.2145870 C[C@H]1CN(CCO1)c2ncnc3c2n(cn3)C WXVL_AN00212LP0517 [0,2,0,0,0,0|0,0,2]=4 1320 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)Br WXVL_AN00704LP0065 [0,2,0,0,0,0|2,0,0]=4 1321 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)F WXVL_AN2271LP0065 [0,2,0,0,0,0|2,0,0]=4 1322 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)F WXVL_AN2271LP0065 [0,2,0,0,0,0|2,0,0]=4 1323 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)O WXVL_AN0622LP0065 [0,2,0,0,0,0|2,0,0]=4 1324 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)C WXVL_AN00782LP0065 [0,2,0,0,0,0|2,0,0]=4 1325 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)O WXVL_AN00535LP0065 [0,2,0,0,0,0|2,0,0]=4 1326 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCOC(=O)C3 WXVL_AN4960LP0065 [0,2,0,0,0,0|1,0,1]=4 1327 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCOC(C3)C WXVL_AN0569LP0065 [0,2,0,0,0,0|1,0,0]=3 1328 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCOC(C3)O WXVL_AN00776LP0065 [0,2,0,0,0,0|1,0,0]=3 1329 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCO[C@@H](C3)C WXVL_AN00210LP0065 [0,2,0,0,0,0|1,0,0]=3 1330 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCO[C@@H](C3)C WXVL_AN00210LP0065 [0,2,0,0,0,0|1,0,0]=3 1331 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCO[C@H](C3)C WXVL_AN00212LP0065 [0,2,0,0,0,0|1,0,0]=3 1332 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCO[C@H](C3)C WXVL_AN00212LP0065 [0,2,0,0,0,0|1,0,0]=3 1333 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCOC(C3)C WXVL_AN0569LP0115 [0,2,0,0,0,0|2,0,0]=4 1334 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCOC(C3)O WXVL_AN00776LP0115 [0,2,0,0,0,0|2,0,0]=4 1335 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCO[C@@H](C3)C WXVL_AN00210LP0115 [0,2,0,0,0,0|2,0,0]=4 1336 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCO[C@@H](C3)C WXVL_AN00210LP0115 [0,2,0,0,0,0|2,0,0]=4 1337 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCO[C@H](C3)C WXVL_AN00212LP0115 [0,2,0,0,0,0|2,0,0]=4 1338 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCO[C@H](C3)C WXVL_AN00212LP0115 [0,2,0,0,0,0|2,0,0]=4 1339 B19R3.2145870 Cn1cnc2c1c(ncn2)N3CCOC(C3)O WXVL_AN00776LP0517 [0,2,0,0,0,0|0,0,2]=4 1340 B19R3.2145870 FC1CCCN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN2271LR0005 [0,2,0,0,0,0|2,0,0]=4 1341 B19R3.2145870 FC1CCCN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN2271LR0005 [0,2,0,0,0,0|2,0,0]=4 1342 B19R3.2145870 O=C1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN4960LR0005 [0,2,0,0,0,0|1,0,1]=4 1343 B19R3.2145870 OC1CCCN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN0622LR0005 [0,2,0,0,0,0|2,0,0]=4 1344 B19R3.2145870 OC1CN(CCO1)c2ncnc3c2c(c[nH]3)I WXVL_AN00776LR0005 [0,2,0,0,0,0|1,0,0]=3 1345 B19R3.2145870 OC1CN(CCO1)c2ncnc3c2c(n[nH]3)I WXVL_AN00776PY1247 [0,2,0,0,0,0|2,0,0]=4 1346 B19R3.2145870 O[C@@H]1CCCN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN00535LR0005 [0,2,0,0,0,0|2,0,0]=4 1347 B19R3.7629239 CC1(CCCN(C1)c2ncnc3c2cc[nH]3)O WXVL_AN2752LP0055 [0,2,0,0,0,0|2,0,0]=4 1348 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2[nH]cc3)C WXVL_AN00484LP0194 [0,2,0,0,0,0|1,0,1]=4 1349 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2[nH]cc3)C WXVL_AN00484LP0194 [0,2,0,0,0,0|1,0,1]=4 1350 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cc[nH]3)C WXVL_AN00484LP0055 [0,2,0,0,0,0|1,0,0]=3 1351 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cc[nH]3)C WXVL_AN00484LP0055 [0,2,0,0,0,0|1,0,0]=3 1352 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cco3)C WXVL_AN00484LP0417 [0,2,0,0,0,0|2,0,0]=4 1353 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cco3)C WXVL_AN00484LP0417 [0,2,0,0,0,0|2,0,0]=4 1354 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2ccs3)C WXVL_AN00484LP0097 [0,2,0,0,0,0|2,0,0]=4 1355 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2ccs3)C WXVL_AN00484LP0097 [0,2,0,0,0,0|2,0,0]=4 1356 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cn[nH]3)C WXVL_AN00484PY0172 [0,2,0,0,0,0|2,0,0]=4 1357 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cn[nH]3)C WXVL_AN00484PY0172 [0,2,0,0,0,0|2,0,0]=4 1358 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2scc3)C WXVL_AN00484LP0180 [0,2,0,0,0,0|2,0,0]=4 1359 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2scc3)C WXVL_AN00484LP0180 [0,2,0,0,0,0|2,0,0]=4 1360 B19R3.7629239 FC1(CCCN(C1)c2ncnc3c2cc[nH]3)F WXVL_AN0110LP0055 [0,2,0,0,0,0|2,0,0]=4 1361 B19R3.7629239 FC1(CCCN(C1)c2ncnc3c2cc[nH]3)F WXVL_AN0110LP0055 [0,2,0,0,0,0|2,0,0]=4 1362 B19R3.305362 N#Cc1c[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0102 [0,2,0,0,0,0|1,0,0]=3 1363 B19R3.305362 N#Cc1c[nH]c2c1c(ncn2)N3CCOCC3 WXVL_AN00478LP0102 [0,2,0,0,0,0|1,0,0]=3 1364 B19R3.305362 N#Cc1c[nH]c2c1c(ncn2)N3CCSCC3 WXVL_AN0896LP0102 [0,2,0,0,0,0|1,1,0]=4 1365 B17R3.1941 c1nc2cc(ncn2n1)N3CCOCC3 WXVL_AN00478LP3351 [0,0,1,1,0,0|0,0,2]=4 1366 B17R3.1941 c1nc2cc(ncn2n1)N3CCOCC3 WXVL_AN00478LP3351 [0,0,1,1,0,0|0,0,2]=4 1367 B17R3.20932 c1nc(c2[nH]ccc2n1)NCC3CCO3 WXVL_AK1433LP0194 [0,0,1,1,0,0|1,0,1]=4 1368 B17R3.20932 c1nc(c2[nH]ccc2n1)NCC3CCO3 WXVL_AK1433LP0194 [0,0,1,1,0,0|1,0,1]=4 1369 B17R3.20932 c1nc(c2cc[nH]c2n1)NCC3CCC3 WXVL_AK00492LP0055 [0,0,1,1,0,0|2,0,0]=4 1370 B17R3.20932 c1nc(c2cc[nH]c2n1)NCC3CCC3 WXVL_AK00492LP0055 [0,0,1,1,0,0|2,0,0]=4 1371 B17R3.20932 c1nc(c2cc[nH]c2n1)NCC3CCO3 WXVL_AK1433LP0055 [0,0,1,1,0,0|1,0,0]=3 1372 B17R3.20932 c1nc(c2cc[nH]c2n1)NCC3CCO3 WXVL_AK1433LP0055 [0,0,1,1,0,0|1,0,0]=3 1373 B17R3.20932 c1nc(c2ccoc2n1)NCC3CCO3 WXVL_AK1433LP0417 [0,0,1,1,0,0|2,0,0]=4 1374 B17R3.20932 c1nc(c2ccoc2n1)NCC3CCO3 WXVL_AK1433LP0417 [0,0,1,1,0,0|2,0,0]=4 1375 B17R3.20932 c1nc(c2ccsc2n1)NCC3CCO3 WXVL_AK1433LP0097 [0,0,1,1,0,0|2,0,0]=4 1376 B17R3.20932 c1nc(c2ccsc2n1)NCC3CCO3 WXVL_AK1433LP0097 [0,0,1,1,0,0|2,0,0]=4 1377 B17R3.20932 c1nc(c2cn[nH]c2n1)NCC3CCO3 WXVL_AK1433PY0172 [0,0,1,1,0,0|2,0,0]=4 1378 B17R3.20932 c1nc(c2cn[nH]c2n1)NCC3CCO3 WXVL_AK1433PY0172 [0,0,1,1,0,0|2,0,0]=4 1379 B17R3.20932 c1nc(c2sccc2n1)NCC3CCO3 WXVL_AK1433LP0180 [0,0,1,1,0,0|2,0,0]=4 1380 B17R3.20932 c1nc(c2sccc2n1)NCC3CCO3 WXVL_AK1433LP0180 [0,0,1,1,0,0|2,0,0]=4 1381 B17R3.127913 c1nc(c2cc[nH]c2n1)NCCC3CC3 WXVL_AK00594LP0055 [0,0,1,1,0,0|2,0,0]=4 1382 B17R3.127913 c1nc(c2cc[nH]c2n1)NCCC3CC3 WXVL_AK00594LP0055 [0,0,1,1,0,0|2,0,0]=4 1383 B17R3.135326 CCN(c1ncnc2c1cc[nH]2)C3CC3 WXVL_AN0137LP0055 [0,0,1,1,0,0|2,0,0]=4 1384 B17R3.135326 CCN(c1ncnc2c1cc[nH]2)C3CC3 WXVL_AN0137LP0055 [0,0,1,1,0,0|2,0,0]=4 1385 B19R4.2161 c1cnc2c(ncnc2c1)N3CC4CC4C3 WXVL_AN00158LP0411 [0,0,0,1,0,1|2,0,0]=4 1386 B19R4.2161 c1cnc2c(ncnc2c1)N3CC4CC4C3 WXVL_AN00158LP0411 [0,0,0,1,0,1|2,0,0]=4 1387 B19R4.1389727 c1nc(c2[nH]ccc2n1)N3CCOC4C3C4 WXVL_AN00639LP0194 [0,0,0,1,0,1|1,0,1]=4 1388 B19R4.1389727 c1nc(c2cc[nH]c2n1)N3CCOC4C3C4 WXVL_AN00639LP0055 [0,0,0,1,0,1|1,0,0]=3 1389 B19R4.1389727 c1nc(c2ccoc2n1)N3CCOC4C3C4 WXVL_AN00639LP0417 [0,0,0,1,0,1|2,0,0]=4 1390 B19R4.1389727 c1nc(c2ccsc2n1)N3CCOC4C3C4 WXVL_AN00639LP0097 [0,0,0,1,0,1|2,0,0]=4 1391 B19R4.1389727 c1nc(c2cn[nH]c2n1)N3CCOC4C3C4 WXVL_AN00639PY0172 [0,0,0,1,0,1|2,0,0]=4 1392 B19R4.1389727 c1nc(c2sccc2n1)N3CCOC4C3C4 WXVL_AN00639LP0180 [0,0,0,1,0,1|2,0,0]=4 1393 B19R4.1873 Cn1ccc2c1ncnc2N3CC4CC4C3 WXVL_AN00158LP0456 [0,1,0,1,0,0|2,0,0]=4 1394 B19R4.1873 Cn1ccc2c1ncnc2N3CC4CC4C3 WXVL_AN00158LP0456 [0,1,0,1,0,0|2,0,0]=4 1395 B19R4.1873 Cn1cnc2c1ncnc2N3CC4CC4C3 WXVL_AN00158LP0352 [0,1,0,1,0,0|1,0,0]=3 1396 B19R4.1873 Cn1cnc2c1ncnc2N3CC4CC4C3 WXVL_AN00158LP0352 [0,1,0,1,0,0|1,0,0]=3 1397 B19R4.11100 Brc1cc2c(ncnc2[nH]1)N3CC4CC4C3 WXVL_AN00158LR0533 [0,1,0,1,0,0|2,0,0]=4 1398 B19R4.11100 Brc1cc2c(ncnc2[nH]1)N3CC4CC4C3 WXVL_AN00158LR0533 [0,1,0,1,0,0|2,0,0]=4 1399 B19R4.11100 Cc1cc2c(ncnc2[nH]1)N3CC4CC4C3 WXVL_AN00158LP0780 [0,1,0,1,0,0|2,0,0]=4 1400 B19R4.11100 Cc1cc2c(ncnc2[nH]1)N3CC4CC4C3 WXVL_AN00158LP0780 [0,1,0,1,0,0|2,0,0]=4 1401 B19R4.11100 Cc1nc2c(ncnc2[nH]1)N3CC4CC4C3 WXVL_AN00158LP3356 [0,1,0,1,0,0|1,0,0]=3 1402 B19R4.11100 Cc1nc2c(ncnc2[nH]1)N3CC4CC4C3 WXVL_AN00158LP3356 [0,1,0,1,0,0|1,0,0]=3 1403 B19R4.11100 O=C1Cc2c(ncnc2N3CC4CC4C3)N1 WXVL_AN00158LP0135 [0,1,0,1,0,0|2,0,0]=4 1404 B19R4.11100 O=C1Cc2c(ncnc2N3CC4CC4C3)N1 WXVL_AN00158LP0135 [0,1,0,1,0,0|2,0,0]=4 1405 B19R4.1389728 c1nc(c2[nH]ccc2n1)N3C[C@H]4C[C@@H]3CO4 WXVL_AN00626LP0194 [0,1,0,1,0,0|1,0,1]=4 1406 B19R4.1389728 c1nc(c2cc[nH]c2n1)N3CC4CCC3C4 WXVL_AN3504LP0055 [0,1,0,1,0,0|2,0,0]=4 1407 B19R4.1389728 c1nc(c2cc[nH]c2n1)N3C[C@H]4C[C@@H]3CO4 WXVL_AN00626LP0055 [0,1,0,1,0,0|1,0,0]=3 1408 B19R4.1389728 c1nc(c2ccoc2n1)N3C[C@H]4C[C@@H]3CO4 WXVL_AN00626LP0417 [0,1,0,1,0,0|2,0,0]=4 1409 B19R4.1389728 c1nc(c2ccsc2n1)N3C[C@H]4C[C@@H]3CO4 WXVL_AN00626LP0097 [0,1,0,1,0,0|2,0,0]=4 1410 B19R4.1389728 c1nc(c2cn[nH]c2n1)N3C[C@H]4C[C@@H]3CO4 WXVL_AN00626PY0172 [0,1,0,1,0,0|2,0,0]=4 1411 B19R4.1389728 c1nc(c2sccc2n1)N3C[C@H]4C[C@@H]3CO4 WXVL_AN00626LP0180 [0,1,0,1,0,0|2,0,0]=4 1412 B19R4.3929657 c1nc(c2[nH]ccc2n1)N3CC4CC(C3)O4 WXVL_AN00670LP0194 [0,1,0,1,0,0|1,0,1]=4 1413 B19R4.3929657 c1nc(c2cc[nH]c2n1)N3CC4CC(C3)O4 WXVL_AN00670LP0055 [0,1,0,1,0,0|1,0,0]=3 1414 B19R4.3929657 c1nc(c2ccoc2n1)N3CC4CC(C3)O4 WXVL_AN00670LP0417 [0,1,0,1,0,0|2,0,0]=4 1415 B19R4.3929657 c1nc(c2ccsc2n1)N3CC4CC(C3)O4 WXVL_AN00670LP0097 [0,1,0,1,0,0|2,0,0]=4 1416 B19R4.3929657 c1nc(c2cn[nH]c2n1)N3CC4CC(C3)O4 WXVL_AN00670PY0172 [0,1,0,1,0,0|2,0,0]=4 1417 B19R4.3929657 c1nc(c2sccc2n1)N3CC4CC(C3)O4 WXVL_AN00670LP0180 [0,1,0,1,0,0|2,0,0]=4 1418 B19R4.1912407 Cc1c[nH]c2c1c(ncn2)N3CC4CC4C3 WXVL_AN00158LP0065 [0,1,0,1,0,0|2,0,0]=4 1419 B19R4.1912407 Cc1c[nH]c2c1c(ncn2)N3CC4CC4C3 WXVL_AN00158LP0065 [0,1,0,1,0,0|2,0,0]=4 1420 B19R4.1912407 Ic1c[nH]c2c1c(ncn2)N3CC4CC4C3 WXVL_AN00158LR0005 [0,1,0,1,0,0|2,0,0]=4 1421 B19R4.1912407 Ic1c[nH]c2c1c(ncn2)N3CC4CC4C3 WXVL_AN00158LR0005 [0,1,0,1,0,0|2,0,0]=4 1422 B17R2.440810 COCCN(C)c1ncnc2c1cccc2 WXVL_AN0085LP0257 [0,0,1,0,0,1|2,0,0]=4 1423 B17R2.440810 COCCN(C)c1ncnc2c1cccc2 WXVL_AN0085LP0257 [0,0,1,0,0,1|2,0,0]=4 1424 B17R2.440810 COCCN(C)c1ncnc2c1ccnc2 WXVL_AN0085LP0471 [0,0,1,0,0,1|1,0,1]=4 1425 B17R2.440810 COCCN(C)c1ncnc2c1ccnc2 WXVL_AN0085LP0471 [0,0,1,0,0,1|1,0,1]=4 1426 B17R2.440810 COCCN(C)c1ncnc2c1nccc2 WXVL_AN0085LP0411 [0,0,1,0,0,1|1,0,0]=3 1427 B17R2.440810 COCCN(C)c1ncnc2c1nccc2 WXVL_AN0085LP0411 [0,0,1,0,0,1|1,0,0]=3 1428 B17R2.148072 CCCCCNc1ncnc2c1nccc2 WXVL_AK0076LP0411 [0,0,1,0,0,1|2,0,0]=4 1429 B17R2.148072 CCCCCNc1ncnc2c1nccc2 WXVL_AK0076LP0411 [0,0,1,0,0,1|2,0,0]=4 1430 B17R2.148072 CCSCCNc1ncnc2c1nccc2 WXVL_AK00494LP0411 [0,0,1,0,0,1|1,1,0]=4 1431 B17R2.148072 CCSCCNc1ncnc2c1nccc2 WXVL_AK00494LP0411 [0,0,1,0,0,1|1,1,0]=4 1432 B17R2.163534 CCN(CCO)c1ncnc2c1cccc2 WXVL_AN3174LP0257 [0,0,1,0,0,1|2,0,0]=4 1433 B17R2.163534 CCN(CCO)c1ncnc2c1ccnc2 WXVL_AN3174LP0471 [0,0,1,0,0,1|1,0,1]=4 1434 B17R2.163534 CCN(CCO)c1ncnc2c1nccc2 WXVL_AN3174LP0411 [0,0,1,0,0,1|1,0,0]=3 1435 B19R3.324611 c1cc2c(ncnc2cn1)N3CCCOCC3 WXVL_AN00350LP0471 [0,0,0,0,0,2|1,0,1]=4 1436 B19R3.324611 c1cc2c(ncnc2cn1)N3CCCOCC3 WXVL_AN00350LP0471 [0,0,0,0,0,2|1,0,1]=4 1437 B19R3.324611 c1ccc2c(ncnc2c1)N3CCCOCC3 WXVL_AN00350LP0257 [0,0,0,0,0,2|2,0,0]=4 1438 B19R3.324611 c1ccc2c(ncnc2c1)N3CCCOCC3 WXVL_AN00350LP0257 [0,0,0,0,0,2|2,0,0]=4 1439 B19R3.324611 c1cnc2c(ncnc2c1)N3CCCOCC3 WXVL_AN00350LP0411 [0,0,0,0,0,2|1,0,0]=3 1440 B19R3.324611 c1cnc2c(ncnc2c1)N3CCCOCC3 WXVL_AN00350LP0411 [0,0,0,0,0,2|1,0,0]=3 1441 B19R3.19245 c1nc(c2cc[nH]c2n1)NCC3CCOCC3 WXVL_AK0150LP0055 [0,0,0,0,0,2|2,0,0]=4 1442 B19R3.19245 c1nc(c2cc[nH]c2n1)NCC3CCOCC3 WXVL_AK0150LP0055 [0,0,0,0,0,2|2,0,0]=4