0 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 Cc1cscn1 A2Z00097343 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 Cn1cncn1 A2Z00096073 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 c1[nH]c(=S)[nH]n1 A2Z00016566 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 c1c([nH]cn1)N A2Z00050362 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 c1c([nH]nn1)N A2Z00096583 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 c1c(cn[nH]1)I A2Z00097488 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 c1c(n[nH]n1)N A2Z00096252 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 c1c(nn[nH]1)N A2Z00096251 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 c1c[nH]nc1N A2Z00096057 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 c1cn[nH]c1N A2Z00050166 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 c1nc([nH]n1)N A2Z00085533 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 c1nc(sn1)N A2Z00095919 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 c1nncn1N A2Z00053115 [0,0,0,0,0,0|2,0,1]=3 15 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,0,0,0|2,0,1]=4 16 B5R1.1 c1[nH]cnn1 A2Z00095912 [1,0,0,0,0,0|1,0,1]=3 17 B5R1.1 c1[nH]ncn1 A2Z00096467 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.1 CCn1ccnc1 A2Z00097334 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.1 CCn1cncn1 A2Z00096521 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 c1c(cn[nH]1)C#N A2Z00096041 [0,1,0,0,0,0|0,0,1]=2 21 B7R1.1 c1c[nH]nc1CO A2Z00038634 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 c1cnoc1CO A2Z00096001 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.1 c1cocc1C#N A2Z00085490 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.1 c1cscc1C=O A2Z00050189 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.2 Cc1[nH]c(nn1)S A2Z00098042 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.2 Cc1cc([nH]n1)N A2Z00061676 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.2 Cc1cc(n[nH]1)N A2Z00050172 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.2 Cc1cc(no1)N A2Z00085614 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 Cc1cc(on1)N A2Z00095967 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.2 Cc1csc(n1)N A2Z00097948 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 Cc1csc(n1)O A2Z00096157 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 Cc1nnc(s1)C A2Z00095539 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 Cc1nnc(s1)N A2Z00026751 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.2 Cn1cc(cn1)I A2Z00062223 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.2 c1c([nH]c(n1)I)I A2Z00050403 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.4 Cc1c(non1)N A2Z00085282 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.4 Cc1c(scn1)C A2Z00097344 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.4 Cn1c(ccn1)N A2Z00050456 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.4 Cn1c(ccn1)N A2Z00096015 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.4 Cn1c(nnn1)S A2Z00096300 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.4 Cn1ccnc1N A2Z00070348 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.4 c1c(c(co1)Br)Br A2Z00096488 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.4 c1nnc(n1N)S A2Z00050558 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.1 CC(=O)CCN A2Z00069826 [0,0,1,0,0,0|2,0,1]=4 50 B7R1.3 c1c(cncn1)Br A2Z00095940 [0,0,0,0,0,1|1,0,1]=3 51 B7R1.3 c1cc(cnc1)O A2Z00096077 [0,0,0,0,0,1|2,0,0]=3 52 B7R1.3 c1cc[nH]c(=O)c1 A2Z00070061 [0,0,0,0,0,1|3,0,0]=4 53 B7R1.3 c1ccc(cc1)O A2Z00038639 [0,0,0,0,0,1|3,0,0]=4 54 B7R1.3 c1ccnc(c1)Br A2Z00097371 [0,0,0,0,0,1|3,0,0]=4 55 B7R1.3 c1cnc(cn1)Cl A2Z00096006 [0,0,0,0,0,1|2,0,0]=3 56 B7R1.3 c1cnccc1Br A2Z00061784 [0,0,0,0,0,1|2,0,0]=3 57 B7R1.3 c1cncnc1N A2Z00062193 [0,0,0,0,0,1|2,0,0]=3 58 B4R0.1 C(=N)(N)NN A2Z00038637 [1,0,1,0,0,0|2,0,0]=4 59 B8R1.2 CCc1ccncc1 A2Z00096081 [0,1,0,0,0,1|1,0,0]=3 60 B8R1.2 COc1cnccn1 A2Z00085431 [0,1,0,0,0,1|1,0,0]=3 61 B8R1.2 CSc1ccccc1 A2Z00096090 [0,1,0,0,0,1|2,0,0]=4 62 B8R1.2 c1cc(cnc1)CN A2Z00093433 [0,1,0,0,0,1|1,0,0]=3 63 B8R1.2 c1ccc(cc1)CN A2Z00095042 [0,1,0,0,0,1|2,0,0]=4 64 B8R1.2 c1cnccc1C#N A2Z00085470 [0,1,0,0,0,1|1,0,1]=4 65 B8R1.3 Cc1ccc(cc1)N A2Z00038641 [0,1,0,0,0,1|2,0,0]=4 66 B8R1.3 Cc1ccc(cc1)O A2Z00098041 [0,1,0,0,0,1|2,0,0]=4 67 B8R1.3 Cc1ccc(cn1)N A2Z00096166 [0,1,0,0,0,1|2,0,0]=4 68 B8R1.3 Cc1ccc(nc1)Br A2Z00050520 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.3 Cc1ccc(nc1)N A2Z00070217 [0,1,0,0,0,1|1,0,0]=3 70 B8R1.3 c1c(cnc(n1)N)Br A2Z00096118 [0,1,0,0,0,1|1,0,1]=4 71 B8R1.3 c1cc(=O)[nH]cc1Br A2Z00069280 [0,1,0,0,0,1|2,0,0]=4 72 B8R1.3 c1cc(=O)[nH]cc1Cl A2Z00098015 [0,1,0,0,0,1|2,0,0]=4 73 B8R1.3 c1cc(ncc1Br)Cl A2Z00098023 [0,1,0,0,0,1|2,0,0]=4 74 B8R1.3 c1cc(ncc1Br)N A2Z00083119 [0,1,0,0,0,1|2,0,0]=4 75 B8R1.3 c1cc(ncc1Cl)Cl A2Z00050194 [0,1,0,0,0,1|2,0,0]=4 76 B8R1.3 c1cc(ncc1I)N A2Z00097321 [0,1,0,0,0,1|2,0,0]=4 77 B8R1.3 c1cc(ncc1N)Br A2Z00049529 [0,1,0,0,0,1|2,0,0]=4 78 B8R1.3 c1cc(ncc1N)Cl A2Z00069827 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.4 Cc1cc(ccn1)N A2Z00094484 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.4 Cc1cc(cnc1)Br A2Z00096423 [0,1,0,0,0,1|1,0,0]=3 81 B8R1.4 Cc1cc(ncn1)C A2Z00094992 [0,1,0,0,0,1|1,0,0]=3 82 B8R1.4 Cc1cc(ncn1)O A2Z00094879 [0,1,0,0,0,1|1,0,0]=3 83 B8R1.4 Cc1cc[nH]c(=O)c1 A2Z00069805 [0,1,0,0,0,1|1,0,0]=3 84 B8R1.4 Cc1cccc(c1)Cl A2Z00093526 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.4 Cc1ccnc(c1)N A2Z00098974 [0,1,0,0,0,1|1,0,0]=3 86 B8R1.4 Cc1ccnc(n1)O A2Z00057023 [0,1,0,0,0,1|1,0,0]=3 87 B8R1.4 c1c(=O)[nH]c(=S)[nH]n1 A2Z00096783 [0,1,0,0,0,1|1,0,0]=3 88 B8R1.4 c1c(=S)[nH]c(=O)[nH]n1 A2Z00050607 [0,1,0,0,0,1|1,0,0]=3 89 B8R1.4 c1c[nH]c(=O)nc1N A2Z00085537 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.4 c1c[nH]c(=S)[nH]c1=O A2Z00056911 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.4 c1cnc(cc1Br)N A2Z00009572 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.4 c1cnc(cc1Cl)Cl A2Z00050203 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.4 c1cnc(cc1Cl)N A2Z00066329 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.4 c1cnc(cc1N)Br A2Z00009574 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.5 Cc1c(nccn1)C A2Z00050186 [0,1,0,0,0,1|1,0,0]=3 96 B8R1.5 Cc1ccc[nH]c1=O A2Z00097918 [0,1,0,0,0,1|1,0,0]=3 97 B8R1.5 Cc1ccccc1N A2Z00093501 [0,1,0,0,0,1|2,0,0]=4 98 B8R1.5 Cc1cccnc1Cl A2Z00098033 [0,1,0,0,0,1|1,0,0]=3 99 B8R1.5 Cc1cccnc1N A2Z00070216 [0,1,0,0,0,1|1,0,0]=3 100 B8R1.5 c1cc(c(nc1)Cl)Br A2Z00009587 [0,1,0,0,0,1|2,0,0]=4 101 B8R1.5 c1cc(c(nc1)Cl)N A2Z00080206 [0,1,0,0,0,1|2,0,0]=4 102 B8R1.5 c1cc(c(nc1)N)Cl A2Z00009567 [0,1,0,0,0,1|2,0,0]=4 103 B8R1.5 c1cc(c(nc1)N)O A2Z00069848 [0,1,0,0,0,1|2,0,0]=4 104 B8R1.1 CCc1cnc([nH]1)S A2Z00085583 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.1 CCc1cnc(s1)N A2Z00085473 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.1 Cc1cnc(o1)CN A2Z00046154 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.1 Cc1cnc(o1)CO A2Z00096381 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.1 Cc1cnc(s1)CN A2Z00061623 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.1 Cn1cc(cn1)C#N A2Z00061672 [0,2,0,0,0,0|0,0,1]=3 111 B8R1.1 Cn1cc(cn1)C=O A2Z00097396 [0,2,0,0,0,0|0,0,1]=3 112 B8R1.1 Cn1cc(cn1)CN A2Z00061673 [0,2,0,0,0,0|0,0,0]=2 113 B8R1.1 Cn1cc(cn1)CO A2Z00074306 [0,2,0,0,0,0|0,0,0]=2 114 B8R1.1 Cn1cc(nn1)CN A2Z00070169 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.1 c1c([nH][nH]c1=O)CN A2Z00096246 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.1 c1c([nH]nc1O)CN A2Z00096414 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.8 c1c(nc[nH]1)CCN A2Z00050200 [0,2,0,0,0,0|2,0,0]=4 121 B8R1.8 c1c(nc[nH]1)CCN A2Z00096418 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.8 c1cn(cn1)CCN A2Z00087582 [0,2,0,0,0,0|2,0,0]=4 123 B8R1.11 Cc1c(c[nH]n1)C=O A2Z00095923 [0,2,0,0,0,0|0,0,1]=3 124 B8R1.11 Cc1c(cn[nH]1)C=O A2Z00050363 [0,2,0,0,0,0|0,0,1]=3 125 B8R1.11 Cn1ccnc1CCl A2Z00095914 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.11 Cn1ccnc1CN A2Z00061417 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.11 c1c(c(on1)C=O)Cl A2Z00050343 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.18 Cc1c(oc(n1)O)C A2Z00050506 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.18 Cc1cc(n(n1)C)O A2Z00096295 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.50 Cc1c(c(sn1)N)Cl A2Z00085540 [0,2,0,0,0,0|2,0,0]=4