0 B12R2.612 Cc1ccc2c(n[nH]c2n1)N A2Z00095933 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.612 c1cc2c(cc1Br)[nH]nc2N A2Z00087393 [0,0,0,0,0,0|1,1,0]=2 2 B11R2.1 c1cc2c(n[nH]c2nc1)N A2Z00009553 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.1 c1ccc2c(c1)c(n[nH]2)N A2Z00087099 [1,0,0,0,0,0|1,0,0]=2 4 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [1,0,0,0,0,0|0,0,0]=1 5 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [1,0,0,0,0,0|1,0,0]=2 7 B11R2.1 c1ccn2c(c1)cnc2N A2Z00050385 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [1,0,0,0,0,0|1,0,0]=2 10 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [1,0,0,0,0,0|2,1,0]=4 11 B11R2.36 c1cc2c(cc1O)[nH]cn2 A2Z00070444 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.36 c1cc2cn[nH]c2cc1N A2Z00096550 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.662 c1cc2c(cc1O)[nH]cc2C=O A2Z00096422 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [0,0,1,0,0,0|1,0,2]=4 15 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A2Z00094275 [0,0,1,0,0,0|2,0,1]=4 16 B11R1.22 c1cc(ccc1C(=O)CN)F A2Z00094016 [0,0,1,0,0,0|1,1,1]=4 17 B11R1.22 c1cc(ccc1C(=O)NN)Br A2Z00014663 [0,0,1,0,0,0|0,1,2]=4 18 B11R1.22 c1cc(ccc1C(=O)NN)F A2Z00014685 [0,0,1,0,0,0|0,1,2]=4 19 B11R1.22 c1cc(ccc1C(CN)O)Br A2Z00094730 [0,0,1,0,0,0|1,1,1]=4 20 B11R1.22 c1cc(ccc1C(CN)O)Cl A2Z00046547 [0,0,1,0,0,0|1,0,1]=3 21 B11R1.166 c1cc(c(cc1F)F)C(=O)O A2Z00097416 [0,0,1,0,0,0|2,1,0]=4 22 B11R1.166 c1cc(c(cc1N)O)C(=O)O A2Z00097498 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.166 c1cc(c(cc1O)O)C(=O)O A2Z00038656 [0,0,1,0,0,0|3,0,0]=4 24 B13R2.5179 c1cc2c(cc1Cl)cncc2O A2Z00062343 [0,0,0,0,0,1|1,0,0]=2 25 B13R2.5179 c1cc2c(ccnc2Cl)cc1F A2Z00069928 [0,0,0,0,0,1|2,1,0]=4 26 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.13 Cc1ccc(cc1)C(=S)N A2Z00038400 [1,0,1,0,0,0|1,1,0]=4 29 B10R1.13 c1cc(ccc1C(=N)N)Cl A2Z00098490 [1,0,1,0,0,0|1,0,0]=3 30 B10R1.13 c1cc(ccc1C(=N)N)N A2Z00050462 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.13 c1cc(ccc1C(=N)N)O A2Z00070221 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [1,0,1,0,0,0|0,1,1]=4 33 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [1,0,1,0,0,0|1,1,0]=4 35 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [1,0,1,0,0,0|1,1,0]=4 36 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.13 c1cc(ccc1C(=S)N)Br A2Z00085460 [1,0,1,0,0,0|0,2,0]=4 38 B10R1.13 c1cc(ccc1C(=S)N)Cl A2Z00038403 [1,0,1,0,0,0|0,1,0]=3 39 B10R1.13 c1cc(ccc1C(=S)N)F A2Z00093909 [1,0,1,0,0,0|0,2,0]=4 40 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.25 COc1ccc(cc1N)Cl A2Z00038607 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.61 c1ccc(c(c1)C(=N)N)F A2Z00074261 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [1,0,1,0,0,0|1,0,0]=3 47 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [1,0,1,0,0,0|2,0,0]=4 48 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [2,0,0,0,0,0|2,0,0]=4 49 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [2,0,0,0,0,0|2,0,0]=4 50 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O A2Z00046566 [0,1,1,0,0,0|1,0,1]=4 52 B12R1.16 CNCC(c1ccc(cc1)Cl)O A2Z00046553 [0,1,1,0,0,0|1,0,1]=4 53 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A2Z00014665 [0,1,1,0,0,0|0,0,2]=4 54 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CO A2Z00068364 [0,1,1,0,0,0|1,0,1]=4 55 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.452 COc1ccc(c(c1)N)C(=O)O A2Z00061322 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.893 c1cc(c(c(c1C(=O)O)N)Cl)Cl A2Z00062159 [0,1,1,0,0,0|1,0,0]=3 59 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl A2Z00062158 [0,1,1,0,0,0|1,0,0]=3 60 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A2Z00095431 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A2Z00046648 [1,1,0,0,0,0|1,0,1]=4 62 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N A2Z00097571 [1,1,0,0,0,0|1,0,0]=3 66 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N A2Z00087151 [1,1,0,0,0,0|1,0,0]=3 67 B12R2.100 Cc1cc2c(cc1C)nn[nH]2 A2Z00070065 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.100 Cc1cc2c(cc[nH]2)cc1N A2Z00050331 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.14869 Cn1cc(c2c1cc(cc2)Cl)C=O A2Z00096257 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.49 c1cc(ccc1NC(=S)NN)Cl A2Z00085525 [0,0,1,0,0,1|0,1,1]=4