0 B6R1.2 C1=CSC(=N1)N S4198 [1,0,0,0,0,0|2,0,0]=3 1 B6R1.2 CC1=CC=NN1 S5146 [1,0,0,0,0,0|2,0,0]=3 2 B6R1.2 CC1=CNN=C1 S1717 [1,0,0,0,0,0|3,0,0]=4 3 B6R1.2 CC1=CNN=C1 S1717 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.1 CC1=CC=C(O1)C=O S9381 [0,1,0,0,0,0|0,1,2]=4 5 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [0,1,0,0,0,0|1,0,1]=3 6 B8R1.7 C1=COC(=C1)C(=O)O S4864 [0,1,0,0,0,0|0,1,1]=3 7 B8R1.7 C1=COC=C1C(=O)O S6097 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.8 C1=C(NC=N1)CCN S3968 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.8 C1=C(NC=N1)CCN S4117 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.8 C1=C(NC=N1)CCN S4118 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.8 C1=C(NC=N1)CCN S4118 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.8 C1=C(NN=C1)CCN S6612 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.8 C1=C(NN=C1)CCN S6612 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.6 CCC=CCCO S6059 [0,0,1,0,0,0|1,0,2]=4 15 B6R0.6 CCCC=CC=O S6303 [0,0,1,0,0,0|1,1,1]=4 16 B8R1.2 C1=CC=C(C=C1)C=O S5574 [0,0,0,0,0,1|1,0,2]=4 17 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,0,0,0,0,1|1,0,0]=2 18 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,0,0,0,0,1|1,0,0]=2 19 B8R1.2 C1=CN=C(N=C1)C#N S5611 [0,0,0,0,0,1|2,0,1]=4 20 B5R1.1 C1=CN=CN1 S6006 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 CC=CC=CC(=O)O S4983 [0,1,1,0,0,0|1,0,1]=4 22 B9R1.1 C1=CC(=CC=C1CO)O S3857 [0,1,0,0,0,1|1,0,0]=3 23 B9R1.1 CCC1=CC=C(C=C1)O S6308 [0,1,0,0,0,1|2,0,0]=4 24 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [0,1,0,0,0,1|1,0,0]=3 25 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,1,0,0,0,1|1,0,1]=4 26 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,1,0,0,0,1|1,0,1]=4 27 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,1,0,0,0,1|1,0,1]=4 28 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [0,1,0,0,0,1|1,0,1]=4 29 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [0,1,0,0,0,1|1,0,1]=4 30 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,1,0,0,0,1|2,0,0]=4 31 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [0,1,0,0,0,1|1,0,1]=4 32 B9R1.8 C1=CC=C(C=C1)CCN S5346 [0,1,0,0,0,1|2,0,0]=4 33 B9R1.8 C1=CC=C(C=C1)CCN S5347 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.8 C1=CC=C(C=C1)CCO S3703 [0,1,0,0,0,1|1,0,0]=3 35 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [0,1,0,0,0,1|1,0,0]=3 36 B9R1.21 C1=C(OC(=C1)C=O)CO S3772 [0,2,0,0,0,0|0,1,0]=3 37 B9R1.11 COC(=O)C1=CC=CO1 S5636 [0,2,0,0,0,0|0,1,1]=4 38 B9R1.13 C1=C(NC=N1)CC(=O)O S6094 [0,2,0,0,0,0|2,0,0]=4