0 B7R1.1 C1CC(OC1)CO A2Z00093498 [0,0,0,0,0,0|0,0,4]=4 1 B7R1.1 CCn1ccnc1 A2Z00097334 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.1 CCn1cncn1 A2Z00096521 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.1 c1c(ncs1)C#N A2Z00096042 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 c1c[nH]nc1CO A2Z00038634 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 c1cnoc1CO A2Z00096001 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.1 c1cocc1C#N A2Z00085490 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 c1csc(n1)CN A2Z00061547 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.1 c1cscc1C=O A2Z00050189 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,0,0,0|1,0,2]=4 11 B6R1.2 Cc1cscn1 A2Z00097343 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 Cn1cncn1 A2Z00096073 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 c1c([nH]cn1)N A2Z00050362 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 c1c[nH]nc1N A2Z00096057 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 c1cn[nH]c1N A2Z00050166 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 c1cnc([nH]1)Cl A2Z00096586 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 C(c1nnc(o1)N)O A2Z00085549 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.1 CCc1cnc([nH]1)S A2Z00085583 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 CCc1cnc(s1)N A2Z00085473 [0,1,0,0,0,0|2,1,0]=4 20 B8R1.1 CCc1csc(n1)N A2Z00085472 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [0,1,0,0,0,0|1,0,2]=4 22 B8R1.1 Cc1cnc(o1)CN A2Z00046154 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.1 Cc1cnc(o1)CO A2Z00096381 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.1 Cc1cnc(s1)CN A2Z00061623 [0,1,0,0,0,0|2,1,0]=4 25 B8R1.1 Cc1csc(n1)CN A2Z00061548 [0,1,0,0,0,0|2,1,0]=4 26 B8R1.1 Cc1nc(cs1)CN A2Z00073814 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 Cc1nc(on1)CN A2Z00048852 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.1 Cc1nnc(o1)CN A2Z00046143 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 Cn1cc(cn1)CO A2Z00074306 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.1 c1c([nH][nH]c1=O)CN A2Z00096246 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 c1c([nH]nc1O)CN A2Z00096414 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [0,1,0,0,0,0|0,0,2]=3 33 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [0,1,0,0,0,0|0,1,2]=4 34 B8R1.7 CC(c1cccs1)O A2Z00094291 [0,1,0,0,0,0|0,1,0]=2 35 B8R1.7 C[C@@H](c1nccs1)N A2Z00062222 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [0,1,0,0,0,0|0,0,1]=2 39 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [0,1,0,0,0,0|0,2,1]=4 40 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [0,1,0,0,0,0|1,0,1]=3 41 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.8 c1c(nc[nH]1)CCN A2Z00050200 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.8 c1c(nc[nH]1)CCN A2Z00096418 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.8 c1c(ncs1)CCN A2Z00049940 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.8 c1cc(sc1)CCO A2Z00095929 [0,1,0,0,0,0|0,1,0]=2 48 B8R1.8 c1cc(sc1)N=C=O A2Z00096018 [0,1,0,0,0,0|0,1,2]=4 49 B8R1.8 c1cnn(c1)CCN A2Z00087581 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.8 c1csc(n1)CCN A2Z00061620 [0,1,0,0,0,0|2,1,0]=4 51 B8R1.11 Cc1c(ocn1)C=O A2Z00096249 [0,1,0,0,0,0|1,0,2]=4 52 B8R1.11 Cn1ccnc1CCl A2Z00095914 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.11 Cn1ccnc1CN A2Z00061417 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.11 c1c(c(on1)C=O)Cl A2Z00050343 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.2 CCc1ccncc1 A2Z00096081 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.2 COc1cnccn1 A2Z00085431 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.2 CSc1ccccc1 A2Z00096090 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.2 c1cc(cnc1)CN A2Z00093433 [0,0,0,0,0,1|2,0,0]=3 59 B8R1.2 c1ccc(cc1)CN A2Z00095042 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.2 c1ccnc(c1)NN A2Z00097841 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.2 c1cnc(nc1)C#N A2Z00085536 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.2 c1cnccc1C#N A2Z00085470 [0,0,0,0,0,1|2,0,1]=4 63 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,0,1,0,0,0|1,0,1]=4 64 B5R0.3 COC(=O)C=C A2Z00093487 [1,0,1,0,0,0|0,0,2]=4 65 B5R1.1 C1COC=C1 A2Z00050496 [2,0,0,0,0,0|0,0,2]=4 66 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,1,0,0,0,0|1,0,1]=4 67 B7R1.2 Cc1cc([nH]n1)N A2Z00061676 [1,1,0,0,0,0|2,0,0]=4 68 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [1,1,0,0,0,0|2,0,0]=4 69 B7R1.2 Cc1cc(n[nH]1)N A2Z00050172 [1,1,0,0,0,0|2,0,0]=4 70 B7R1.2 Cc1cc(no1)N A2Z00085614 [1,1,0,0,0,0|1,0,0]=3 71 B7R1.2 Cc1cc(on1)N A2Z00095967 [1,1,0,0,0,0|2,0,0]=4 72 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [1,1,0,0,0,0|1,0,1]=4 73 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [1,1,0,0,0,0|1,1,0]=4 74 B7R1.2 Cc1csc(n1)N A2Z00097948 [1,1,0,0,0,0|2,0,0]=4 75 B7R1.2 Cc1csc(n1)O A2Z00096157 [1,1,0,0,0,0|1,1,0]=4 76 B7R1.2 Cn1cc(cn1)I A2Z00062223 [1,1,0,0,0,0|2,0,0]=4 77 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [1,1,0,0,0,0|2,0,0]=4 78 B7R1.2 c1c(nc(s1)N)O A2Z00096174 [1,1,0,0,0,0|2,0,0]=4 79 B7R1.2 c1c(nc(s1)O)O A2Z00096717 [1,1,0,0,0,0|1,1,0]=4 80 B7R1.2 c1cc(sc1Cl)Cl A2Z00097497 [1,1,0,0,0,0|1,1,0]=4 81 B7R1.4 Cc1c(scn1)C A2Z00097344 [1,1,0,0,0,0|1,1,0]=4 82 B7R1.4 Cn1c(ccn1)N A2Z00050456 [1,1,0,0,0,0|2,0,0]=4 83 B7R1.4 Cn1c(ccn1)N A2Z00096015 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.1 Cc1cnc(cn1)CN A2Z00096239 [0,1,0,0,0,1|2,0,0]=4 85 B9R1.1 c1cc(ccc1CN)F A2Z00097608 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.1 c1cc(ccc1CO)Cl A2Z00062143 [0,1,0,0,0,1|1,0,0]=3 87 B9R1.2 CCc1cccc(c1)O A2Z00038644 [0,1,0,0,0,1|2,0,0]=4 88 B9R1.2 c1cc(cc(c1)N)CN A2Z00095152 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.6 CC(c1ccccc1)N A2Z00093463 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [0,1,0,0,0,1|1,0,1]=4 91 B9R1.8 CNCc1ccccc1 A2Z00093451 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [0,1,0,0,0,1|2,0,0]=4 95 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.15 CCc1ccccc1O A2Z00093520 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.15 c1cc(c(nc1)CN)F A2Z00050387 [0,1,0,0,0,1|2,0,0]=4 100 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [0,1,0,0,0,1|2,0,0]=4 101 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.7 Cc1cnc(o1)CCN A2Z00046155 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,2,0,0,0,0|0,0,2]=4 104 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,2,0,0,0,0|1,0,1]=4 105 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,2,0,0,0,0|0,0,1]=3 106 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,2,0,0,0,0|0,1,1]=4 107 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [0,2,0,0,0,0|1,0,1]=4 108 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [0,2,0,0,0,0|1,0,1]=4 109 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [0,2,0,0,0,0|0,0,2]=4 110 B9R1.11 c1cc(sc1)C(=O)CCl A2Z00057069 [0,2,0,0,0,0|1,1,0]=4 111 B9R1.11 c1cc(sc1)C(C#N)N A2Z00047029 [0,2,0,0,0,0|1,1,0]=4 112 B9R1.11 c1cc(sc1)C(CN)O A2Z00046545 [0,2,0,0,0,0|0,1,0]=3 113 B9R1.19 CC(C)(c1[nH]ccn1)O A2Z00062359 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,2,0,0,0,0|1,0,1]=4 115 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,2,0,0,0,0|0,1,1]=4 116 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [0,2,0,0,0,0|0,0,2]=4 117 B9R1.12 c1cc(sc1)CCC#N A2Z00094590 [0,2,0,0,0,0|1,1,0]=4 118 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,2,0,0,0,0|0,0,0]=2 121 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,2,0,0,0,0|0,1,1]=4 122 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,2,0,0,0,0|0,1,1]=4 123 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,2,0,0,0,0|0,1,0]=3 124 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [0,2,0,0,0,0|2,0,0]=4 125 B7R1.3 c1cc(cnc1)O A2Z00096077 [0,0,1,1,0,0|1,0,1]=4 126 B7R1.3 c1ccc(cc1)O A2Z00038639 [0,0,1,1,0,0|1,0,1]=4