0 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 A2Z00097940 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 A2Z00068295 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 A2Z00069938 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 Cc1ccc2c(c1)OCCO2 A2Z00096649 [1,0,0,0,0,0|1,0,2]=4 4 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00062458 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00074308 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [1,0,0,0,0,0|1,0,2]=4 9 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [1,0,0,0,0,0|2,0,1]=4 11 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)C=O A2Z00061657 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)Br A2Z00062171 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)F A2Z00097504 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O A2Z00059465 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl A2Z00061317 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O A2Z00058038 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O A2Z00060377 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O A2Z00058031 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)N A2Z00094168 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)N A2Z00048848 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.8239 Cc1ccc2c(c1)OC(C(=O)N2)C A2Z00070126 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8239 Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 A2Z00096003 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.49 Cc1ccc(cc1)NC(=O)CCl A2Z00075121 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.49 Cc1ccc(cc1)NC(=O)CS A2Z00029474 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.49 Cc1ccc(cc1)OC(=O)CN A2Z00049394 [0,0,1,0,0,0|1,0,1]=3 27 B12R1.226 c1cc(cc(c1)Br)OCC(=O)O A2Z00078437 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [0,0,1,0,0,0|1,0,2]=4 29 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,0,1,0,0,0|1,0,0]=2 30 B12R1.226 c1cc(cc(c1)F)CCC(=O)O A2Z00094264 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,0,1,0,0,0|1,0,0]=2 32 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.606 Cc1ccc2c(c1)sc(n2)N A2Z00097697 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.606 Cc1nc2cc(ccc2o1)O A2Z00070118 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [0,0,0,0,1,0|2,0,1]=4 36 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [0,0,0,0,1,0|2,0,1]=4 37 B12R2.606 c1cc2c(cc1N)[nH]c(=O)o2 A2Z00046405 [0,0,0,0,1,0|2,0,0]=3 38 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 A2Z00094049 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.606 c1cc2c(cc1O)sc(=O)o2 A2Z00017241 [0,0,0,0,1,0|2,0,0]=3 40 B12R2.612 Cc1ccn2c(c1)ncc2N A2Z00069836 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.612 Cn1ccc2c1cc[n+](c2)C A2Z00096674 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [1,0,1,0,0,0|1,0,0]=3 45 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [1,0,1,0,0,0|1,0,1]=4 46 B13R1.73 Cc1ccc(c(c1)C=O)OCC=C A2Z00038593 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.147 C\C(=C/C(=O)O)\c1cccc(c1)Cl A2Z00094643 [0,1,1,0,0,0|1,0,0]=3 48 B13R1.148 C\C(=C/c1cccc(c1)Cl)\C(=O)O A2Z00046436 [0,1,1,0,0,0|1,0,0]=3 49 B13R1.148 Cc1cccc(c1)\C=C(\C)/[N+](=O)[O-] A2Z00095493 [0,1,1,0,0,0|1,0,1]=4 50 B13R1.150 Cc1cccc(c1C)OCC(=O)O A2Z00066591 [0,1,1,0,0,0|1,0,1]=4 51 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)O A2Z00036595 [0,1,1,0,0,0|1,0,1]=4 52 B13R1.511 Cc1ccc(cc1C)CCC(=O)O A2Z00096813 [0,1,1,0,0,0|0,0,2]=4 53 B13R1.511 Cc1ccc(cc1C)OCC(=O)O A2Z00078440 [0,1,1,0,0,0|1,0,1]=4 54 B13R1.511 c1cc(c(cc1\C=C\C(=O)O)Cl)Cl A2Z00038419 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.643 COc1cccc(c1)OCC(=O)O A2Z00066527 [0,1,1,0,0,0|1,0,1]=4 56 B13R1.643 COc1cccc(c1)\C=C\C(=O)O A2Z00067501 [0,1,1,0,0,0|0,0,0]=2 57 B13R1.893 Cc1ccc(c(c1)OCC(=O)O)C A2Z00062566 [0,1,1,0,0,0|1,0,1]=4 58 B13R2.32 c1ccc2c(c1)ccc(c2Br)N A2Z00049633 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.57 c1cc2c(cc1CN)nccn2 A2Z00049543 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.57 c1cc2cc(ccc2nc1)C=O A2Z00097499 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.57 c1ccc2c(c1)ccc(n2)NN A2Z00070574 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 A2Z00069164 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.155 Cc1ccc2ccc(=O)oc2c1 A2Z00096333 [1,1,0,0,0,0|0,0,0]=2 65 B13R2.162 Cc1ccc2c(c1)c(=O)[nH]cn2 A2Z00060919 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl A2Z00060478 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.162 Cc1ccc2c(c1)c(ncn2)N A2Z00057802 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O A2Z00061677 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)N A2Z00049748 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.369 Cc1cc2ccccc2nc1Cl A2Z00095300 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.43 Cc1ccc2cc(oc2c1)C=O A2Z00050165 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.2121 Cc1cc2cc(ccc2[nH]1)CN A2Z00048830 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC A2Z00095928 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.2121 c1cc2c(cc1CO)oc(=O)[nH]2 A2Z00057034 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.3028 Cn1c2cc(ccc2oc1=O)N A2Z00046406 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A2Z00097333 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A2Z00030680 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.5397 Cc1cc2c(c(c1)Br)oc(=O)[nH]2 A2Z00049367 [0,1,0,0,1,0|1,0,0]=3 83 B13R2.662 c1cc2c(cc1O)[nH]cc2C=O A2Z00096422 [0,1,0,0,1,0|2,0,0]=4 84 B13R2.5187 c1cc2c(cc1N)C(=O)NC2=O A2Z00095900 [0,1,0,0,1,0|2,0,0]=4 85 B15R2.1754 Cc1ccc2cc(c(nc2c1)Cl)C=O A2Z00084353 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.7180 c1cc(=O)[nH]c2c1cc(cc2)[N+](=O)[O-] A2Z00069930 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.7180 c1cc(nc2c1cc(cc2)F)C(=O)O A2Z00062233 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)Cl A2Z00057295 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.21336 Cc1cc2cc(ccc2[nH]c1=O)CN A2Z00047874 [0,2,0,0,0,0|1,0,0]=3 90 B15R2.21336 Cc1cc2cc(ccc2[nH]c1=O)OC A2Z00049658 [0,2,0,0,0,0|1,0,0]=3 91 B15R2.21336 Cc1cc2cc(ccc2nc1Cl)OC A2Z00094172 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.1007 Cc1cc2c(c(c1Cl)C)OC(=O)CN2 A2Z00095084 [0,2,0,0,0,0|1,0,1]=4 93 B15R2.59732 Cc1cc(c2c(c1)c(cc(=S)[nH]2)C)C A2Z00073257 [0,2,0,0,0,0|1,1,0]=4 94 B15R2.59732 Cc1cc(c2c(c1)c(cc(n2)C)Cl)C A2Z00060014 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.59732 Cc1cc(c2c(c1)c(cc(n2)C)O)C A2Z00058542 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.59732 Cc1cc(c2c(c1)c(cc(n2)Cl)C)C A2Z00072897 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.59732 Cc1cc2c(c(c1)Br)[nH]c(=O)oc2=O A2Z00061683 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.89950 Cc1ccc2c(c1)c(cc(=O)o2)CCl A2Z00038587 [0,2,0,0,0,0|0,0,0]=2 99 B15R2.1824 Cc1ccc2c(c1)cc(c(=O)[nH]2)CN A2Z00046463 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.1824 c1cc2c(cc1Br)cc(c(=O)[nH]2)C=O A2Z00044955 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.1824 c1cc2c(cc1Cl)cc(c(=O)[nH]2)CCl A2Z00046476 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.1824 c1cc2c(cc1F)cc(c(=O)[nH]2)C=O A2Z00044949 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.62227 Cc1cc2cc(c(=O)[nH]c2cc1C)C A2Z00049657 [0,2,0,0,0,0|1,0,0]=3 104 B15R2.62227 Cc1cc2cc(c(nc2cc1C)Cl)C A2Z00094170 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.63893 Cc1cc2cc(ccc2n(c1=O)C)N A2Z00049872 [0,2,0,0,0,0|2,0,0]=4 106 B13R2.371 Cc1ccc(c2c1cccc2)N A2Z00056967 [0,0,1,1,0,0|2,0,0]=4 107 B13R2.342 Cc1cccc2c1occc2=O A2Z00049889 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N A2Z00062431 [0,0,1,1,0,0|2,0,0]=4 109 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,0,1,0,1,0|1,0,1]=4 110 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [1,0,0,0,1,0|2,0,0]=4 111 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [1,0,0,0,1,0|1,1,0]=4 112 B11R2.10 Cc1cc2ccccn2c1 A2Z00050436 [1,0,0,0,1,0|2,0,0]=4 113 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [1,0,0,0,1,0|2,0,0]=4 114 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [1,0,0,0,1,0|2,0,0]=4 115 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [1,0,0,0,1,0|1,0,0]=3 116 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [1,0,0,0,1,0|2,0,0]=4 117 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [1,0,0,0,1,0|2,0,0]=4 118 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [1,0,0,0,1,0|2,0,0]=4 119 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [1,0,0,0,1,0|2,0,0]=4 120 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [1,0,0,0,1,0|2,0,0]=4 121 B13R1.149 Cc1cccc(c1)OCCC(=O)O A2Z00096657 [0,0,1,0,0,1|0,0,2]=4 122 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)O A2Z00037156 [0,0,1,0,0,1|1,0,1]=4 123 B13R2.163 c1ccc2c(c1)CCCC(=O)O2 A2Z00096661 [1,0,0,0,0,1|0,0,2]=4