0 B17R3.8707 C1CCN(CC1)c2ncnc3c2nc[nH]3 CSC027403444 [0,0,0,0,0,0|1,0,0]=1 1 B17R3.8707 C1CN(CCN1)c2ccnc3c2scc3 CSC010557662 [0,0,0,0,0,0|4,0,0]=4 2 B17R3.8707 C1CN(CCN1)c2nccc3c2cco3 CSC011934610 [0,0,0,0,0,0|4,0,0]=4 3 B17R3.8707 C1CN(CCN1)c2ncnc3c2cn[nH]3 CSC010158914 [0,0,0,0,0,0|3,0,0]=3 4 B17R3.8707 C1CN(CCO1)c2nccn3c2nnc3 CSC012079846 [0,0,0,0,0,0|4,0,0]=4 5 B17R3.8707 C1CN(CCO1)c2ncnc3c2cc[nH]3 CSC000058413 [0,0,0,0,0,0|1,0,0]=1 6 B17R3.8707 C1CN(CCS1)c2ncnc3c2cn[nH]3 CSC000051888 [0,0,0,0,0,0|2,1,0]=3 7 B17R3.8707 C1Cc2ncnc(c2C1)N3CCCCC3 CSC011770996 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.1 Cn1ncc2c1ncnc2N3CCCCC3 CSC000261373 [0,1,0,0,0,0|3,0,0]=4 9 B18R3.1 Cn1nnc2c1ncnc2N3CCCCC3 CSC043492972 [0,1,0,0,0,0|2,0,0]=3 10 B18R3.1 Cn1nnc2c1ncnc2N3CCOCC3 CSC032625243 [0,1,0,0,0,0|1,0,0]=2 11 B18R3.174 Cc1cc(n2ncnc2n1)N3CCOCC3 CSC000262874 [0,1,0,0,0,0|2,0,1]=4 12 B18R3.174 Cc1cc(n2ncnc2n1)N3CCOCC3 CSC000262874 [0,1,0,0,0,0|2,0,1]=4 13 B18R3.174 Clc1nc(c2[nH]cnc2n1)N3CCSCC3 CSC012961745 [0,1,0,0,0,0|0,1,2]=4 14 B18R3.3140 CC1CCCCN1c2ncnc3c2[nH]cn3 CSC028877907 [0,1,0,0,0,0|1,0,2]=4 15 B18R3.3140 CC1CCCCN1c2ncnc3c2cc[nH]3 CSC000072996 [0,1,0,0,0,0|2,0,0]=3 16 B18R3.3140 CC1CCCCN1c2ncnc3c2ccs3 CSC046088609 [0,1,0,0,0,0|3,0,0]=4 17 B18R3.3140 CC1CCCCN1c2ncnc3c2cn[nH]3 CSC047195041 [0,1,0,0,0,0|3,0,0]=4 18 B18R3.3140 CC1CCCCN1c2ncnc3c2nc[nH]3 CSC000045869 [0,1,0,0,0,0|1,0,0]=2 19 B18R3.3140 CC1CNCCN1c2ncnc3c2cc[nH]3 CSC023689596 [0,1,0,0,0,0|2,0,0]=3 20 B18R3.3140 CC1CNCCN1c2ncnc3c2ccs3 CSC005670507 [0,1,0,0,0,0|3,0,0]=4 21 B18R3.3140 CC1CNCCN1c2ncnc3c2cn[nH]3 CSC059226165 [0,1,0,0,0,0|3,0,0]=4 22 B18R3.3140 CC1CNCCN1c2ncnc3c2scc3 CSC005670510 [0,1,0,0,0,0|3,0,0]=4 23 B18R3.3140 CC1COCCN1c2ncnc3c2[nH]cn3 CSC036180468 [0,1,0,0,0,0|0,0,2]=3 24 B18R3.3140 CC1CSCCN1c2ncnc3c2[nH]cn3 CSC057823414 [0,1,0,0,0,0|0,1,2]=4 25 B18R3.3140 C[C@@H]1CNCCN1c2ncnc3c2[nH]cn3 CSC057899365 [0,1,0,0,0,0|1,0,2]=4 26 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cc[nH]3 CSC058232607 [0,1,0,0,0,0|1,0,0]=2 27 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cn[nH]3 CSC059148468 [0,1,0,0,0,0|2,0,0]=3 28 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cc[nH]3 CSC048378386 [0,1,0,0,0,0|2,0,0]=3 29 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cn[nH]3 CSC039709108 [0,1,0,0,0,0|3,0,0]=4 30 B18R3.8788 CN1CCN(CC1)c2ncnc3c2cn[nH]3 CSC000026267 [0,1,0,0,0,0|3,0,0]=4 31 B18R3.8788 CN1CCN(CC1)c2ncnc3c2nc[nH]3 CSC026746541 [0,1,0,0,0,0|1,0,0]=2 32 B18R3.8788 NC1CCN(CC1)c2ncnc3c2scc3 CSC000350361 [0,1,0,0,0,0|3,0,0]=4 33 B18R3.8788 O=C1CCN(CC1)c2ncnc3c2cn[nH]3 CSC036918840 [0,1,0,0,0,0|3,0,0]=4 34 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2[nH]cn3 CSC032315373 [0,1,0,0,0,0|0,1,2]=4 35 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2scc3 CSC027106919 [0,1,0,0,0,0|2,1,0]=4 36 B18R3.8788 OC1CCN(CC1)c2ncnc3c2scc3 CSC000282461 [0,1,0,0,0,0|3,0,0]=4 37 B18R3.31674 CC1CCCN(C1)c2ncnc3c2[nH]cn3 CSC041009921 [0,1,0,0,0,0|1,0,2]=4 38 B18R3.31674 CC1CCCN(C1)c2ncnc3c2cc[nH]3 CSC000058410 [0,1,0,0,0,0|2,0,0]=3 39 B18R3.31674 CC1CCCN(C1)c2ncnc3c2ccs3 CSC046316521 [0,1,0,0,0,0|3,0,0]=4 40 B18R3.31674 CC1CCCN(C1)c2ncnc3c2cn[nH]3 CSC046194467 [0,1,0,0,0,0|3,0,0]=4 41 B18R3.31674 CC1CN(CCN1)c2ncnc3c2cc[nH]3 CSC010559807 [0,1,0,0,0,0|2,0,0]=3 42 B18R3.31674 CC1CN(CCN1)c2ncnc3c2ccs3 CSC005645540 [0,1,0,0,0,0|3,0,0]=4 43 B18R3.31674 CC1CN(CCN1)c2ncnc3c2cn[nH]3 CSC059022322 [0,1,0,0,0,0|3,0,0]=4 44 B18R3.31674 CC1CN(CCN1)c2ncnc3c2scc3 CSC005645541 [0,1,0,0,0,0|3,0,0]=4 45 B18R3.31674 CC1CN(CCO1)c2ncnc3c2[nH]cn3 CSC036179894 [0,1,0,0,0,0|0,0,2]=3 46 B18R3.31674 CC1CN(CCO1)c2ncnc3c2ccs3 CSC027286733 [0,1,0,0,0,0|2,0,0]=3 47 B18R3.31674 CC1CN(CCO1)c2ncnc3c2scc3 CSC027163153 [0,1,0,0,0,0|2,0,0]=3 48 B18R3.31674 CC1CN(CCS1)c2ncnc3c2[nH]cn3 CSC039398717 [0,1,0,0,0,0|0,1,2]=4 49 B18R3.31674 C[C@@H]1CN(CCN1)c2ncnc3c2cc[nH]3 CSC021672868 [0,1,0,0,0,0|2,0,0]=3 50 B18R3.31674 C[C@@H]1CN(CCN1)c2ncnc3c2ccs3 CSC006858244 [0,1,0,0,0,0|3,0,0]=4 51 B18R3.31674 C[C@@H]1CN(CCN1)c2ncnc3c2scc3 CSC006858245 [0,1,0,0,0,0|3,0,0]=4 52 B18R3.31674 C[C@H]1CN(CCN1)c2ncnc3c2cc[nH]3 CSC023689298 [0,1,0,0,0,0|2,0,0]=3 53 B18R3.31674 C[C@H]1CN(CCN1)c2ncnc3c2ccs3 CSC006858457 [0,1,0,0,0,0|3,0,0]=4 54 B18R3.31674 C[C@H]1CN(CCN1)c2ncnc3c2scc3 CSC006858458 [0,1,0,0,0,0|3,0,0]=4 55 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cc[nH]3 CSC058298539 [0,1,0,0,0,0|1,0,0]=2 56 B18R3.31674 C[C@H]1CN(CCO1)c2ncnc3c2cn[nH]3 CSC058671258 [0,1,0,0,0,0|2,0,0]=3 57 B18R3.31674 FC1CCCN(C1)c2ncnc3c2[nH]cn3 CSC051582448 [0,1,0,0,0,0|1,0,2]=4 58 B18R3.31674 NC1CCCN(C1)c2ncnc3c2cc[nH]3 CSC010562125 [0,1,0,0,0,0|2,0,0]=3 59 B18R3.31674 NC1CCCN(C1)c2ncnc3c2ccs3 CSC005510655 [0,1,0,0,0,0|3,0,0]=4 60 B18R3.31674 NC1CCCN(C1)c2ncnc3c2scc3 CSC005510659 [0,1,0,0,0,0|3,0,0]=4 61 B18R3.31674 N[C@@H]1CCCN(C1)c2ncnc3c2cc[nH]3 CSC021948570 [0,1,0,0,0,0|2,0,0]=3 62 B18R3.31674 N[C@@H]1CCCN(C1)c2ncnc3c2ccs3 CSC006974616 [0,1,0,0,0,0|3,0,0]=4 63 B18R3.31674 N[C@@H]1CCCN(C1)c2ncnc3c2scc3 CSC006974661 [0,1,0,0,0,0|3,0,0]=4 64 B18R3.31674 OC1CCCN(C1)c2ncnc3c2[nH]cn3 CSC000318118 [0,1,0,0,0,0|1,0,2]=4 65 B18R3.31674 OC1CCCN(C1)c2ncnc3c2cc[nH]3 CSC000059497 [0,1,0,0,0,0|2,0,0]=3 66 B18R3.31674 OC1CCCN(C1)c2ncnc3c2ccs3 CSC000251378 [0,1,0,0,0,0|3,0,0]=4 67 B18R3.31674 O[C@H]1CCCN(C1)c2ncnc3c2cn[nH]3 CSC058857707 [0,1,0,0,0,0|3,0,0]=4 68 B18R3.51480 Cc1csc2c1c(ncn2)N3CCCCC3 CSC046591246 [0,1,0,0,0,0|3,0,0]=4 69 B18R3.51480 Cc1csc2c1c(ncn2)N3CCNCC3 CSC010006918 [0,1,0,0,0,0|3,0,0]=4 70 B18R3.51480 Cc1noc2c1c(ncn2)N3CCOCC3 CSC010003924 [0,1,0,0,0,0|3,0,0]=4 71 B16R2.94 CCNc1cc(ncn1)N2CCOCC2 CSC012827127 [0,0,1,0,0,0|1,0,1]=3 72 B16R2.4630 CCCCN(C)c1ncnc2c1[nH]cn2 CSC058755922 [0,0,1,0,0,0|1,0,2]=4 73 B16R2.4630 CNCCN(C)c1ncnc2c1ccs2 CSC011706693 [0,0,1,0,0,0|3,0,0]=4 74 B16R2.4630 CNCCN(C)c1ncnc2c1scc2 CSC011706694 [0,0,1,0,0,0|3,0,0]=4 75 B16R2.4630 COCCN(C)c1ncnc2c1[nH]cn2 CSC059070967 [0,0,1,0,0,0|0,0,2]=3 76 B16R2.11632 CCNCCNc1ncnc2c1cc[nH]2 CSC010519120 [0,0,1,0,0,0|2,0,0]=3 77 B16R2.11632 CCNCCNc1ncnc2c1ccs2 CSC011723923 [0,0,1,0,0,0|3,0,0]=4 78 B16R2.11632 CCNCCNc1ncnc2c1scc2 CSC011723935 [0,0,1,0,0,0|3,0,0]=4 79 B16R2.11632 COCCCNc1ncnc2c1nc[nH]2 CSC026746429 [0,0,1,0,0,0|2,0,0]=3 80 B16R2.13092 CCN(CCO)c1ncnc2c1[nH]cn2 CSC011421359 [0,0,1,0,0,0|0,0,2]=3 81 B16R3.5924 C1CCN(C1)c2ncnc3c2ccs3 CSC000156240 [0,0,0,0,1,0|2,0,0]=3 82 B18R3.2115 C1CC(CCO1)Nc2ncnc3c2[nH]cn3 CSC000355830 [0,0,0,0,0,1|1,0,2]=4 83 B18R3.2115 C1CC(CCO1)Nc2ncnc3c2cc[nH]3 CSC000059504 [0,0,0,0,0,1|2,0,0]=3 84 B18R3.2115 C1CCC(CC1)Nc2ncnc3c2cc[nH]3 CSC000058409 [0,0,0,0,0,1|3,0,0]=4 85 B18R3.1440748 C1CCCN(CC1)c2ncnc3c2cc[nH]3 CSC000058400 [0,0,0,0,0,1|2,0,0]=3 86 B18R3.1440748 C1CCCN(CC1)c2ncnc3c2ccs3 CSC000251098 [0,0,0,0,0,1|3,0,0]=4 87 B18R3.1440748 C1CCCN(CC1)c2ncnc3c2cn[nH]3 CSC000011463 [0,0,0,0,0,1|3,0,0]=4 88 B18R3.1440748 C1CNCCN(C1)c2ncnc3c2[nH]cn3 CSC000297993 [0,0,0,0,0,1|1,0,2]=4 89 B18R3.1440748 C1CNCCN(C1)c2ncnc3c2cc[nH]3 CSC023688904 [0,0,0,0,0,1|2,0,0]=3 90 B18R3.1440748 C1CNCCN(C1)c2ncnc3c2scc3 CSC000325724 [0,0,0,0,0,1|3,0,0]=4 91 B18R3.1440748 C1COCCN(N1)c2ncnc3c2ccs3 CSC049097759 [0,0,0,0,0,1|2,0,0]=3 92 B18R3.1440748 C1COCCN(N1)c2ncnc3c2scc3 CSC047934940 [0,0,0,0,0,1|2,0,0]=3 93 B15R2.32 Nc1ncnc(c1Cl)N2CCCCC2 CSC013283057 [1,0,1,0,0,0|2,0,0]=4 94 B15R2.32 Nc1ncnc(c1Cl)N2CCOCC2 CSC013283072 [1,0,1,0,0,0|1,0,0]=3 95 B15R2.32 Nc1ncnc(c1Cl)N2CCSCC2 CSC013283717 [1,0,1,0,0,0|1,1,0]=4 96 B15R2.17340 CN(CCO)c1ncnc2c1scc2 CSC000237321 [1,0,1,0,0,0|2,0,0]=4 97 B15R2.15972 CCN(CC)c1ncnc2c1ccs2 CSC000156369 [1,0,1,0,0,0|2,0,0]=4 98 B15R2.15972 CCN(CC)c1ncnc2c1scc2 CSC000237333 [1,0,1,0,0,0|2,0,0]=4 99 B17R2.74638 COCCN(C)c1ncnc2c1cnn2C CSC025962641 [0,1,1,0,0,0|2,0,0]=4 100 B17R2.74638 COCCN(C)c1ncnc2c1cnn2C CSC025962641 [0,1,1,0,0,0|2,0,0]=4 101 B17R2.10878 CCCCCCNc1ncnc2c1cc[nH]2 CSC000059493 [0,1,1,0,0,0|2,0,0]=4 102 B17R2.10878 OCCOCCNc1ncnc2c1cn[nH]2 CSC018994266 [0,1,1,0,0,0|2,0,0]=4 103 B17R2.19045 CCCCCNc1ncnc2c1nnn2C CSC031012804 [0,1,1,0,0,0|2,0,0]=4 104 B17R3.3 Cn1nnc2c1ncnc2N3CCCC3 CSC046888987 [0,1,0,0,1,0|1,0,0]=3 105 B17R3.2637 CC1CCCN1c2ncnc3c2[nH]cn3 CSC031132184 [0,1,0,0,1,0|0,0,2]=4 106 B17R3.2637 CC1CCCN1c2ncnc3c2nc[nH]3 CSC010261246 [0,1,0,0,1,0|0,0,0]=2 107 B17R3.17527 CC1CCN(C1)c2ncnc3c2[nH]cn3 CSC052245471 [0,1,0,0,1,0|0,0,2]=4 108 B17R3.17527 NC1CCN(C1)c2ncnc3c2ccs3 CSC011600579 [0,1,0,0,1,0|2,0,0]=4 109 B17R3.17527 NC1CCN(C1)c2ncnc3c2scc3 CSC011600591 [0,1,0,0,1,0|2,0,0]=4 110 B17R3.17527 N[C@@H]1CCN(C1)c2ncnc3c2ccs3 CSC059163185 [0,1,0,0,1,0|2,0,0]=4 111 B17R3.17527 N[C@@H]1CCN(C1)c2ncnc3c2scc3 CSC058667962 [0,1,0,0,1,0|2,0,0]=4 112 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2[nH]cn3 CSC012064633 [0,1,0,0,1,0|0,0,2]=4 113 B17R3.17527 O[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 CSC027129115 [0,1,0,0,1,0|2,0,0]=4 114 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2[nH]cn3 CSC012139173 [0,1,0,0,1,0|0,0,2]=4 115 B17R3.17527 O[C@H]1CCN(C1)c2ncnc3c2scc3 CSC011851299 [0,1,0,0,1,0|2,0,0]=4 116 B19R3.4066 Brc1ccc2ncnc(c2c1)N3CCOCC3 CSC015184529 [0,1,0,0,0,1|2,0,0]=4 117 B19R3.2349 Cn1ncc2c1ncnc2N3CCOCCN3 CSC047763271 [0,1,0,0,0,1|2,0,0]=4 118 B19R3.2349 Cn1nnc2c1ncnc2N3CCCCCC3 CSC047013928 [0,1,0,0,0,1|2,0,0]=4 119 B19R3.157205 CC1CCSCCN1c2ncnc3c2cc[nH]3 CSC046863515 [0,1,0,0,0,1|1,1,0]=4 120 B19R3.2337419 CC1CSCCN(C1)c2ncnc3c2cc[nH]3 CSC047191172 [0,1,0,0,0,1|1,1,0]=4 121 B19R3.2337419 OC1COCCN(C1)c2ncnc3c2ccs3 CSC045032666 [0,1,0,0,0,1|2,0,0]=4 122 B19R3.2337419 OC1COCCN(C1)c2ncnc3c2scc3 CSC039668957 [0,1,0,0,0,1|2,0,0]=4 123 B19R3.2337419 OC1COCCN(C1)c2ncnc3c2scc3 CSC039668957 [0,1,0,0,0,1|2,0,0]=4 124 B19R3.2342854 CC1CCN(CCS1)c2ncnc3c2cc[nH]3 CSC046909419 [0,1,0,0,0,1|1,1,0]=4 125 B19R3.2342854 OC1CCCN(CC1)c2ncnc3c2cc[nH]3 CSC053496419 [0,1,0,0,0,1|2,0,0]=4 126 B19R3.7689866 Cc1csc2c1c(ncn2)N3CCOCCN3 CSC047236815 [0,1,0,0,0,1|2,0,0]=4 127 B19R3.2 CCn1cnc2c1ncnc2N3CCCCO3 CSC058877954 [0,2,0,0,0,0|2,0,0]=4 128 B19R3.239595 CC1CCN(CC1)c2ncnc3c2nnn3C CSC047777950 [0,2,0,0,0,0|2,0,0]=4 129 B19R3.2145874 CC1CCCN(C1)c2ncnc3c2nnn3C CSC047292214 [0,2,0,0,0,0|2,0,0]=4 130 B19R3.2145860 CC1CN(CCO1)c2nc(nc3c2[nH]cn3)Cl CSC006666124 [0,2,0,0,0,0|0,0,2]=4 131 B19R3.561 CCc1cc2c(ncnc2s1)N3CCOCC3 CSC046137985 [0,2,0,0,0,0|2,0,0]=4 132 B19R3.2798 NCC1CCCCN1c2ncnc3c2cc[nH]3 CSC052186501 [0,2,0,0,0,0|2,0,0]=4 133 B19R3.54579 CC1C(CCCN1c2ncnc3c2cc[nH]3)O CSC033582816 [0,2,0,0,0,0|2,0,0]=4 134 B19R3.54579 CC1SCCN(C1C)c2ncnc3c2cc[nH]3 CSC048499442 [0,2,0,0,0,0|1,1,0]=4 135 B19R3.2200999 CC1CN(C(CN1)C)c2ncnc3c2cc[nH]3 CSC049811441 [0,2,0,0,0,0|2,0,0]=4 136 B19R3.4561 NCC1CCN(CC1)c2ncnc3c2cc[nH]3 CSC016994560 [0,2,0,0,0,0|2,0,0]=4 137 B19R3.240555 CC1CN(CCC1N)c2ncnc3c2cc[nH]3 CSC030682768 [0,2,0,0,0,0|2,0,0]=4 138 B19R3.25299 CNC1CCCN(C1)c2ncnc3c2cc[nH]3 CSC036374737 [0,2,0,0,0,0|2,0,0]=4 139 B19R3.25299 FCC1CN(CCO1)c2ncnc3c2cc[nH]3 CSC058662032 [0,2,0,0,0,0|1,0,0]=3 140 B19R3.25299 FCC1CN(CCO1)c2ncnc3c2cn[nH]3 CSC059069765 [0,2,0,0,0,0|2,0,0]=4 141 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2[nH]cn3 CSC001089991 [0,2,0,0,0,0|0,0,2]=4 142 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2ccs3 CSC001089997 [0,2,0,0,0,0|2,0,0]=4 143 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2scc3 CSC008119377 [0,2,0,0,0,0|2,0,0]=4 144 B19R3.25299 NCC1CN(CCO1)c2ncnc3c2scc3 CSC003171141 [0,2,0,0,0,0|2,0,0]=4 145 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2[nH]cn3 CSC001481518 [0,2,0,0,0,0|0,0,2]=4 146 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2ccs3 CSC003850780 [0,2,0,0,0,0|2,0,0]=4 147 B19R3.25299 OCC1CN(CCO1)c2ncnc3c2scc3 CSC003850781 [0,2,0,0,0,0|2,0,0]=4 148 B19R3.2122942 CC1CC(CN(C1)c2ncnc3c2cc[nH]3)O CSC037339057 [0,2,0,0,0,0|2,0,0]=4 149 B19R3.2122942 CC1CN(CC(S1)C)c2ncnc3c2cc[nH]3 CSC047245116 [0,2,0,0,0,0|1,1,0]=4 150 B19R3.7629239 CC1(CN(CCN1)c2ncnc3c2cc[nH]3)C CSC041525370 [0,2,0,0,0,0|2,0,0]=4 151 B19R3.7629239 CC1(CN(CCS1)c2ncnc3c2cc[nH]3)C CSC049001112 [0,2,0,0,0,0|1,1,0]=4 152 B17R3.1910 C1CC(CN1)Nc2ncnc3c2cc[nH]3 CSC023689056 [0,0,1,1,0,0|2,0,0]=4 153 B19R3.324597 C1COCCC(C1)Nc2ncnc3c2cc[nH]3 CSC048196399 [0,0,0,0,0,2|2,0,0]=4