0 B7R1.3 C1=CC(=O)NC=C1 S6360 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 C1=CN=CC=C1N S5028 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.2 C1=CC=C(C=C1)C=O S5574 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.3 C1=CC(=CC=C1O)O S4580 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.3 C1=CC(=CC=C1O)O S4580 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.3 CC1=CC=C(O)C=C1 S6017 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.4 C1=C(NC(=O)N=C1)N S4893 [0,1,0,0,0,0|1,0,0]=2 10 B8R1.4 C1=CN=C(NC1=O)N S6256 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.4 C1=CNC(=O)NC1=O S4177 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.4 C1=CNC(=S)NC1=O S3100 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.4 C1=CNC(=S)NC1=O S3100 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.4 CC1=CC=CC(=C1)O S6331 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.5 C1=CC=C(C(=C1)O)O S6305 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.5 C1=CN=CC(=C1N)N S4622 [0,1,0,0,0,0|0,0,0]=1 19 B8R1.5 C1=CN=CC(=C1N)N S4622 [0,1,0,0,0,0|0,0,0]=1 20 B8R1.5 CC1=C(O)C=CC=C1 S6199 [0,1,0,0,0,0|2,0,0]=3 21 B6R1.2 C1=CSC(=N1)N S4198 [0,0,0,0,1,0|2,0,0]=3 22 B6R1.2 CC1=CC=NN1 S5146 [0,0,0,0,1,0|2,0,0]=3 23 B6R1.2 CC1=CNN=C1 S1717 [0,0,0,0,1,0|2,0,0]=3 24 B6R1.2 CC1=CNN=C1 S1717 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.5 C1=CC=C(C(=O)C=C1)O S5688 [0,1,0,0,0,1|2,0,0]=4 26 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [0,2,0,0,0,0|2,0,0]=4 27 B9R1.1 C1=CC(=CC=C1CO)O S3857 [0,2,0,0,0,0|2,0,0]=4 28 B9R1.1 CCC1=CC=C(C=C1)O S6308 [0,2,0,0,0,0|2,0,0]=4 29 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,2,0,0,0,0|2,0,0]=4 30 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,2,0,0,0,0|2,0,0]=4 31 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [0,2,0,0,0,0|2,0,0]=4 32 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,2,0,0,0,0|2,0,0]=4 33 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,2,0,0,0,0|2,0,0]=4 34 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [0,2,0,0,0,0|1,0,0]=3 35 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,2,0,0,0,0|1,0,0]=3 36 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [0,2,0,0,0,0|1,0,0]=3 42 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [0,2,0,0,0,0|0,0,0]=2 43 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.8 C1=CC=C(C=C1)CCN S5346 [0,2,0,0,0,0|1,0,0]=3 47 B9R1.8 C1=CC=C(C=C1)CCN S5347 [0,2,0,0,0,0|1,0,0]=3 48 B9R1.8 C1=CC=C(C=C1)CCO S3703 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.15 COC1=CC=CC=C1O S3872 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,2,0,0,0,0|1,0,1]=4 52 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,2,0,0,0,0|1,0,1]=4 53 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,2,0,0,0,0|1,0,1]=4 54 B9R1.69 C1=NC(=O)NC(=C1Br)N S5603 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.69 C1=NC(=O)NC(=C1Br)N S5603 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.69 C1=NC(=O)NC(=C1F)N S1666 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.69 C1=NC(=O)NC(=C1F)N S1666 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.69 C1=NC(=O)NC(=C1F)N S1666 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.69 C1=NC(=O)NC(=C1F)N S1666 [0,2,0,0,0,0|1,0,0]=3 60 B9R1.69 CC1=C(C=CC(=C1)O)Cl S4209 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.69 CC1=C(NC(=O)N=C1)N S6021 [0,2,0,0,0,0|1,0,0]=3 62 B9R1.69 CC1=CC(=C(C=C1)O)O S5616 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.3 C1=CC(=C(C(=C1)O)O)O S3885 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.3 CC1=C(C(=O)C=CO1)O S4940 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.3 CC1=C(C(=O)C=CO1)[O-] S2255 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.34 C1(=NC(=NC(=N1)N)N)N S9212 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.34 C1=C(N=C(NC1=O)N)N S3688 [0,2,0,0,0,0|1,0,1]=4 68 B9R1.34 CC1=CC(=CC(=C1)O)O S9329 [0,2,0,0,0,0|2,0,0]=4 69 B5R1.1 C1=CN=CN1 S6006 [1,0,0,0,1,0|1,0,0]=3