0 B9R1.35 CC1=CC(=NN1)C(=O)O S5434 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC1=CC(=NN1)C(=O)O S5434 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 CC1=CC=C(O1)C=O S9381 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 C1=COC(=C1)C(=O)O S4864 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 C1=COC=C1C(=O)O S6097 [1,0,0,0,0,0|0,1,0]=2 6 B10R1.31 C1=C(OC(=C1)C(=O)O)CO S6081 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,0,0,0,0,1|2,0,0]=3 8 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,0,0,0,0,1|2,0,0]=3 9 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [0,0,0,0,0,1|2,0,0]=3 10 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,0,0,0,0,1|2,0,0]=3 11 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,0,0,0,1|3,0,0]=4 12 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,0,0,0,1|3,0,0]=4 14 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)O S4995 [0,0,0,0,0,1|3,0,0]=4 17 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O S3802 [0,0,0,0,0,1|2,0,0]=3 18 B7R0.4 CC=CC=CC(=O)O S4983 [1,0,1,0,0,0|1,0,0]=3 19 B7R0.5 CCC=C(C)C(=O)O S6327 [1,0,1,0,0,0|0,0,2]=4 20 B7R0.6 C(=CC(=O)O)C(=O)O S4952 [1,0,1,0,0,0|1,1,0]=4 21 B7R0.6 C(=CC(=O)O)C(=O)O S5340 [1,0,1,0,0,0|1,1,0]=4 22 B9R1.21 C1=C(OC(=C1)C=O)CO S3772 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.11 COC(=O)C1=CC=CO1 S5636 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.3 COC1=NC=C(C=C1)C(=O)N S6779 [0,1,0,0,0,1|2,0,0]=4 25 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S6188 [0,1,0,0,0,1|2,0,0]=4 26 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O S6361 [0,1,0,0,0,1|2,0,0]=4 27 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)Br S5444 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O S3975 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O S6297 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,1|1,0,0]=3 31 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O S3691 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S5211 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.166 C1=CC(=C(C=C1O)O)C(=O)O S6293 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)O S5173 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O S5519 [0,1,0,0,0,1|1,0,0]=3 41 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O S5400 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.74 C1=C(C=C(C=C1O)O)C(=O)O S6160 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.74 C1=C(NC(=O)NC1=O)C(=O)O S2336 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O S4946 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O S1681 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O S1681 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)O S3799 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.266 COC1=CC=CC(=C1)C(=O)N S5449 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.266 COC1=CC=CC(=C1)C(=O)O S6025 [0,1,0,0,0,1|1,0,0]=3 50 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,0,1,1,0,0|1,0,1]=4 51 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,0,1,1,0,0|1,0,1]=4 52 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,0,1,1,0,0|1,0,1]=4 53 B9R1.13 C1=C(NC=N1)CC(=O)O S6094 [1,0,0,0,0,1|2,0,0]=4 54 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,0,0,0,0,2|2,0,0]=4