0 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 c1c(nc[nH]1)CCN A2Z00050200 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 c1c(nc[nH]1)CCN A2Z00096418 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 c1c(ncs1)CCN A2Z00049940 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.8 c1cc(sc1)CCO A2Z00095929 [0,0,0,0,0,0|2,1,0]=3 7 B8R1.8 c1cc(sc1)N=C=O A2Z00096018 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 c1cnn(c1)CCN A2Z00087581 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 c1csc(n1)CCN A2Z00061620 [0,0,0,0,0,0|3,1,0]=4 10 B7R1.1 CCn1ccnc1 A2Z00097334 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 CCn1cncn1 A2Z00096521 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 c1c[nH]nc1CO A2Z00038634 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 c1cnoc1CO A2Z00096001 [1,0,0,0,0,0|1,1,0]=3 15 B7R1.1 c1csc(n1)CN A2Z00061547 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.7 Cc1cnc(o1)CCN A2Z00046155 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [0,1,0,0,0,0|1,1,1]=4 18 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [0,1,0,0,0,0|1,1,1]=4 19 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.11 c1cc(sc1)C(C#N)N A2Z00047029 [0,1,0,0,0,0|2,1,0]=4 21 B9R1.11 c1cc(sc1)C(CN)O A2Z00046545 [0,1,0,0,0,0|2,1,0]=4 22 B9R1.12 CNCCc1c[nH]cn1 A2Z00049843 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.12 CNCCc1cnc[nH]1 A2Z00049842 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.12 c1cc(sc1)CCC#N A2Z00094590 [0,1,0,0,0,0|1,1,1]=4 26 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,1,0,0,0,0|2,1,0]=4 28 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,1,0,0,0,0|2,1,0]=4 29 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,1,0,0,0,0|2,1,0]=4 30 B9R1.8 CNCc1ccccc1 A2Z00093451 [0,0,0,0,0,1|2,0,0]=3 31 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [0,0,0,0,0,1|3,0,0]=4 36 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [0,0,0,0,0,1|3,0,0]=4 37 B6R1.2 Cc1cscn1 A2Z00097343 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.1 CCc1cnc([nH]1)S A2Z00085583 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.1 CCc1cnc(s1)N A2Z00085473 [1,1,0,0,0,0|1,1,0]=4 40 B8R1.1 CCc1csc(n1)N A2Z00085472 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.1 Cc1cnc(o1)CN A2Z00046154 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.1 Cc1cnc(o1)CO A2Z00096381 [1,1,0,0,0,0|1,1,0]=4 43 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [1,1,0,0,0,0|0,1,1]=4 44 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,1,0,0,0,0|0,1,1]=4 45 B8R1.7 CC(c1cccs1)O A2Z00094291 [1,1,0,0,0,0|0,1,0]=3 46 B8R1.7 C[C@@H](c1nccs1)N A2Z00062222 [1,1,0,0,0,0|1,1,0]=4 47 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [1,1,0,0,0,0|0,1,1]=4 48 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.17 CCNCc1ccccc1 A2Z00093459 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.17 CNCCc1ccncc1 A2Z00061328 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [0,2,0,0,0,0|0,1,1]=4 54 B10R1.16 Cc1cnc(o1)CCCN A2Z00046156 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.54 Cc1ccc(o1)CN(C)C A2Z00096304 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.6 CC(C)(CN)c1ccco1 A2Z00061740 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.11 CNCC(c1cccs1)O A2Z00046548 [0,2,0,0,0,0|1,1,0]=4 59 B10R1.21 C=CCNCc1ccco1 A2Z00048061 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.21 c1cc(oc1)CCCON A2Z00047946 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.27 COC(=O)Cc1cccs1 A2Z00095990 [0,2,0,0,0,0|0,2,0]=4 62 B10R1.66 CC(C)NCc1ccco1 A2Z00087006 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,2,0,0,0,0|1,0,1]=4 64 B8R1.2 CSc1ccccc1 A2Z00096090 [0,0,1,1,0,0|1,0,1]=4 65 B10R2.6 c1ccc(cc1)C2CN2 A2Z00049782 [0,0,0,1,0,1|2,0,0]=4