0 B12R2.1081 c1c[nH]c(=O)c2c1cncc2 A2Z00050463 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.1081 c1cc2c(c(c1)O)CCCC2 A2Z00094829 [0,0,0,0,0,0|1,0,3]=4 2 B12R2.1081 c1cc2cccnc2c(c1)N A2Z00069079 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 c1cc2cnccc2c(c1)Br A2Z00097808 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.1081 c1ccc2c(c1)c(=O)cc[nH]2 A2Z00062308 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.1081 c1ccc2c(c1)c(=O)cn[nH]2 A2Z00061512 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl A2Z00097493 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl A2Z00085508 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.1081 c1ccc2c(c1)c(ncn2)N A2Z00087152 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.1081 c1ccc2c(c1)ccnc2N A2Z00050047 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 c1ccc2c(c1)cncc2Br A2Z00097572 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.1081 c1cnc(c2c1cncc2)Cl A2Z00096356 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.32 c1ccc2c(c1)ccc(c2Br)N A2Z00049633 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O A2Z00061677 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)N A2Z00049748 [0,1,0,0,0,0|1,0,1]=3 17 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.328 Cc1nc2ccccc2c(n1)O A2Z00097770 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.342 Cc1cccc2c1occc2=O A2Z00049889 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.342 Cc1cncc2c1cccc2Br A2Z00062430 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.342 c1cc2c(c(c1)Br)nc[nH]c2=O A2Z00097653 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.342 c1cc2c(c(c1)F)nc[nH]c2=O A2Z00062400 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N A2Z00062431 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.342 c1cc2c(cccc2O)c(c1)N A2Z00093556 [0,1,0,0,0,0|1,0,0]=2 26 B13R2.342 c1cc2c(cccc2O)c(c1)O A2Z00038636 [0,1,0,0,0,0|1,0,0]=2 27 B13R2.371 Cc1ccc(c2c1cccc2)N A2Z00056967 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.371 c1cc(c2cnccc2c1Br)Br A2Z00097809 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.1613 c1ccc2c(c1)cccc2C#N A2Z00085452 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.4818 Cc1cncc2c1c(ccc2)Br A2Z00097578 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.4818 c1cc2cc[nH]c(=O)c2c(c1)O A2Z00062335 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.5179 c1cc2c(cc1Cl)cncc2O A2Z00062343 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.5179 c1cc2c(ccnc2Cl)cc1F A2Z00069928 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A2Z00055347 [0,0,1,0,0,0|3,0,0]=4 35 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [0,0,0,0,1,0|3,0,0]=4 36 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [0,0,0,0,1,0|3,0,0]=4 37 B11R2.106 C[n+]1cccc2c1cc[nH]2 A2Z00096715 [0,0,0,0,1,0|3,0,0]=4 38 B11R2.106 c1cc2c(cco2)c(c1)Br A2Z00050270 [0,0,0,0,1,0|2,0,0]=3 39 B11R2.106 c1csc2c1ncnc2O A2Z00096671 [0,0,0,0,1,0|3,0,0]=4 40 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,0,1,0,0,0|0,0,1]=3 41 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,1,0,0,0|1,0,0]=3 42 B10R1.245 c1cc(c(c(c1)Br)C=O)O A2Z00096372 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A2Z00096119 [0,1,1,0,0,0|2,0,0]=4 46 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [1,1,0,0,0,0|1,0,0]=3 47 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00062458 [1,1,0,0,0,0|0,0,0]=2 48 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00074308 [1,1,0,0,0,0|0,0,0]=2 49 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [1,1,0,0,0,0|0,0,0]=2 50 B12R2.82 c1cc2c(cc[nH]2)c(c1N)Br A2Z00050243 [0,1,0,0,1,0|2,0,0]=4 51 B12R2.202 Cc1cc2c([nH]1)cccc2O A2Z00096183 [0,1,0,0,1,0|1,0,0]=3 52 B12R2.202 Cc1cc2c(cccc2[nH]1)N A2Z00096014 [0,1,0,0,1,0|2,0,0]=4 53 B12R2.202 Cc1cccc2c1nc(s2)N A2Z00059530 [0,1,0,0,1,0|2,0,0]=4 54 B12R2.202 Cc1cn2cccc(c2n1)O A2Z00098017 [0,1,0,0,1,0|1,0,0]=3 55 B12R2.202 c1cc(c2c(c1)sc(n2)Cl)F A2Z00074054 [0,1,0,0,1,0|2,0,0]=4 56 B12R2.246 Cc1cc(cn2c1ncc2)Br A2Z00069935 [0,1,0,0,1,0|2,0,0]=4 57 B12R2.315 COc1cccc2c1[nH]cc2 A2Z00094969 [0,1,0,0,1,0|0,0,1]=3 58 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Br)Br A2Z00096914 [0,2,0,0,0,0|0,0,0]=2 59 B14R2.142 CCc1ccc2c(c1)c(ccn2)O A2Z00057861 [0,2,0,0,0,0|2,0,0]=4 60 B14R2.8045 Cc1cc(=O)c2cccc(c2[nH]1)Cl A2Z00097513 [0,2,0,0,0,0|1,0,1]=4 61 B14R2.8045 Cc1cc(c2cccc(c2n1)O)O A2Z00061397 [0,2,0,0,0,0|0,0,0]=2 62 B14R2.8045 Cc1cccc2c1[nH]c(=S)cc2C A2Z00073256 [0,2,0,0,0,0|1,0,1]=4 63 B14R2.8045 Cc1cccc2c1nc(cc2C)Cl A2Z00083085 [0,2,0,0,0,0|1,0,0]=3 64 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O A2Z00059465 [0,2,0,0,0,0|2,0,0]=4 65 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O A2Z00058038 [0,2,0,0,0,0|2,0,0]=4 66 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O A2Z00060377 [0,2,0,0,0,0|2,0,0]=4 67 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O A2Z00058031 [0,2,0,0,0,0|2,0,0]=4 68 B14R2.8751 Cc1ccc2c(ccc(c2n1)O)Br A2Z00062340 [0,2,0,0,0,0|0,0,0]=2 69 B14R2.1073 COc1cccc2c1c[nH]c(=O)c2 A2Z00097616 [0,2,0,0,0,0|2,0,0]=4 70 B14R2.11635 COc1cccc2c1c(ncc2)Cl A2Z00097539 [0,2,0,0,0,0|2,0,0]=4 71 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O A2Z00078432 [0,2,0,0,0,0|1,0,0]=3 72 B14R2.31359 c1ccc2c(c1)cccc2C(=S)N A2Z00038404 [0,2,0,0,0,0|1,1,0]=4 73 B14R2.31359 c1ccc2c(c1)ccnc2C(=O)O A2Z00097502 [0,2,0,0,0,0|2,0,0]=4 74 B12R2.2 c1ccnc(c1)c2cc[nH]n2 A2Z00086136 [0,0,1,1,0,0|2,0,0]=4 75 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [0,0,1,1,0,0|2,0,0]=4 76 B12R2.32 c1ccc2c(c1)nc(o2)NN A2Z00017243 [0,0,1,1,0,0|2,0,0]=4 77 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [1,0,0,0,1,0|1,0,1]=4 78 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [1,0,0,0,1,0|1,0,0]=3 79 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [1,0,0,0,1,0|1,0,0]=3 80 B10R2.7 c1ccc2c(c1)nsn2 A2Z00095239 [1,0,0,0,1,0|2,0,0]=4 81 B10R2.7 c1cnc2nccn2c1 A2Z00096376 [1,0,0,0,1,0|2,0,0]=4