0 B13R2.5190 Cn1c2ccc(cc2oc1=O)N A2Z00046407 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [1,0,0,0,0,0|1,1,0]=3 8 B12R2.606 c1cc2c(cc1F)sc(n2)N A2Z00070687 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.606 c1cc2c(cc1N)[nH]c(=O)o2 A2Z00046405 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.606 c1cc2c(cc1N)nc([nH]2)Cl A2Z00050311 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 A2Z00094049 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.606 c1cc2c(cc1N)sc(=S)[nH]2 A2Z00061225 [1,0,0,0,0,0|2,1,0]=4 14 B12R2.606 c1cc2c(cc1O)sc(=O)o2 A2Z00017241 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.1095 Cc1c2ccc(cc2oc1C=O)F A2Z00050210 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O A2Z00061401 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8716 CN1c2ccc(cc2C(=O)C1=O)Br A2Z00076698 [0,1,0,0,0,0|2,1,0]=4 18 B14R2.8716 CN1c2ccc(cc2C(C1=O)N)Br A2Z00073971 [0,1,0,0,0,0|2,1,0]=4 19 B12R1.20 CC(=O)C(=O)c1ccc(cc1)F A2Z00049436 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.20 CC(=O)N(C)c1ccc(cc1)O A2Z00068350 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.50 Cc1cccc(c1)NC(=O)CN A2Z00044975 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.50 Cc1cccc(c1)NC(=O)CO A2Z00068360 [0,0,1,0,0,0|2,0,0]=3 23 B12R1.50 Cc1cccc(c1)NC(=O)CS A2Z00064158 [0,0,1,0,0,0|2,1,0]=4 24 B12R1.50 c1cc(cc(c1)Br)NC(=O)CCl A2Z00099282 [0,0,1,0,0,0|2,1,0]=4 25 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CO A2Z00068364 [0,0,1,0,0,0|1,1,0]=3 26 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl A2Z00097899 [0,0,0,0,0,1|2,1,0]=4 27 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N A2Z00068346 [0,0,0,0,0,1|3,0,0]=4 28 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)N A2Z00048848 [0,0,0,0,0,1|3,0,0]=4 29 B14R2.8239 Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 A2Z00096003 [0,0,0,0,0,1|2,0,1]=4 30 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)Br A2Z00062407 [0,0,0,0,0,1|2,1,0]=4 31 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br A2Z00070051 [0,0,0,0,0,1|2,1,0]=4 32 B14R2.29369 CN1c2ccc(cc2CCC1=O)N A2Z00094530 [0,0,0,0,0,1|3,0,0]=4 33 B14R2.29369 CN1c2ccc(cc2OCC1=O)N A2Z00068296 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.20 Cc1ccc(cc1)NC(=S)N A2Z00075032 [1,0,1,0,0,0|1,1,0]=4 35 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.166 c1cc(c(cc1F)F)C(=O)O A2Z00097416 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] A2Z00097433 [1,0,1,0,0,0|0,0,2]=4 40 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [2,0,0,0,0,0|2,0,0]=4 41 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [2,0,0,0,0,0|2,0,0]=4 42 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [2,0,0,0,0,0|1,0,1]=4 43 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [2,0,0,0,0,0|1,0,1]=4 44 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [2,0,0,0,0,0|1,1,0]=4 45 B11R2.36 c1cc2c(cc1O)[nH]cn2 A2Z00070444 [2,0,0,0,0,0|1,0,1]=4 46 B11R2.36 c1cc2c(cc1O)nc[nH]2 A2Z00062450 [2,0,0,0,0,0|1,0,1]=4 47 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [2,0,0,0,0,0|1,1,0]=4 48 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [2,0,0,0,0,0|2,0,0]=4 49 B13R1.81 COc1cccc(c1)NC(=O)CO A2Z00068362 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.81 CSc1cccc(c1)NC(=O)CO A2Z00070403 [0,1,1,0,0,0|2,0,0]=4 51 B13R2.135 CCN1c2ccccc2CC1=O A2Z00074116 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.135 CCn1c2ccccc2oc1=O A2Z00048030 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.359 CC1(c2ccccc2NC1=O)C A2Z00048073 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.3028 CC1c2cc(ccc2NC1=O)Br A2Z00048132 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.3028 CC1c2cc(ccc2NC1=O)N A2Z00047978 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.3028 Cn1c2cc(ccc2oc1=O)N A2Z00046406 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A2Z00097333 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A2Z00030680 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.3085 CN1c2ccccc2C(=O)C1=O A2Z00077108 [1,1,0,0,0,0|1,0,1]=4 60 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O A2Z00094242 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.43 c1cc(cc2c1cc([nH]2)C=O)F A2Z00050318 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.2121 c1cc2c(cc1CO)oc(=O)[nH]2 A2Z00057034 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.5397 Cc1cc2c(c(c1)Br)oc(=O)[nH]2 A2Z00049367 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.1754 c1cc(cc2c1cc(c(=O)[nH]2)CN)F A2Z00046465 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 A2Z00069164 [0,0,1,1,0,0|2,0,0]=4 66 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 A2Z00078037 [0,0,1,1,0,0|1,1,0]=4 67 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 A2Z00067813 [0,0,1,1,0,0|2,0,0]=4 68 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 A2Z00069936 [0,0,1,1,0,0|2,0,0]=4 69 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N A2Z00050048 [0,0,1,1,0,0|2,0,0]=4 70 B11R1.23 Cc1cccc(c1)C(=O)NN A2Z00014683 [0,0,1,0,1,0|2,0,0]=4 71 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN A2Z00014653 [0,0,1,0,1,0|1,1,0]=4 72 B11R1.23 c1cc(cc(c1)O)C(=O)NN A2Z00014681 [0,0,1,0,1,0|2,0,0]=4 73 B13R1.133 c1cc(ccc1CC(C(=O)O)O)F A2Z00048099 [0,0,1,0,0,1|2,0,0]=4 74 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [1,0,0,0,0,1|2,0,0]=4 75 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [1,0,0,0,0,1|1,0,1]=4 76 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [1,0,0,0,0,1|1,0,0]=3 77 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [1,0,0,0,0,1|2,0,0]=4 78 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [1,0,0,0,0,1|2,0,0]=4 79 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [1,0,0,0,0,1|2,0,0]=4 80 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 A2Z00097940 [1,0,0,0,0,1|1,1,0]=4 81 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 A2Z00068295 [1,0,0,0,0,1|2,0,0]=4 82 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 A2Z00069938 [1,0,0,0,0,1|2,0,0]=4