0 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,0,0,0,0,0|0,0,1]=2 13 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 CC(C1=CC=CC=C1)N S6260 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.16 C1=CC(=CN=C1)C(=O)NCO S5390 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O S6053 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.222 COC(=O)C1=NC=CN=C1N S6230 [0,1,0,0,0,0|2,0,0]=3 40 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [0,0,0,1,0,0|1,0,0]=2 41 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.11 COC(=O)C1=CC=CO1 S5636 [0,0,0,0,1,0|1,0,0]=2 43 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|0,0,0]=2 44 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,1]=3 45 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,1]=3 46 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O S6252 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,1,0,0,0,0|0,0,1]=3 62 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N S4785 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)O S4995 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O S3802 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.478 CCC(C1=CC=CC=C1)C(=O)O S6086 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4210 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|0,0,0]=2 80 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.17 CCOC(=O)C1=CC(=CC=C1)N S3682 [0,2,0,0,0,0|0,0,0]=2 83 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr S3678 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)O S3869 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.3441 COC(=O)C1=C(C=CC=C1Cl)Cl S0831 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.3441 COC(=O)C1=C(C=CC=C1Cl)Cl S0831 [0,2,0,0,0,0|0,0,0]=2 87 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,0,0,1,0,1|2,0,0]=4 90 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,0,0,1,0,1|1,0,1]=4 91 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,0,0,1,0,1|1,0,0]=3 92 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 S9360 [0,1,0,1,0,0|1,0,1]=4 93 B12R2.1081 C1=CC=C2C(=C1)C(=O)O[Bi]O2 S4032 [0,1,0,1,0,0|1,0,0]=3 94 B12R2.612 B1(C2=C(CO1)C=C(C=C2)F)O S4996 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [1,0,0,0,1,0|1,0,0]=3 98 B8R1.7 C1=COC(=C1)C(=O)O S4864 [1,0,0,0,1,0|1,0,0]=3 99 B8R1.7 C1=COC=C1C(=O)O S6097 [1,0,0,0,1,0|1,0,0]=3 100 B12R1.27 COC(=O)C=CC1=CC=CC=C1 S6221 [0,0,0,0,0,2|0,0,0]=2