0 B14R1.41 COc1cc(C(O)C(=O)O)ccc1O T0611 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.49 COc1cc(C(O)CN)ccc1O T4945 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 T3S0507 [1,0,0,0,0,0|0,0,0]=1 3 B13R1.510 O=C(O)C(O)C1=CC=C(O)C(O)=C1 TQ0135 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.510 O=C(O)C(O)c1ccc(O)c(O)c1 T5229 [1,0,0,0,0,0|0,0,0]=1 5 B15R1.872 N[C@@H](C(=O)O)C1=CC=C(O)C(C(=O)O)=C1 T23290 [0,1,0,0,0,0|3,0,0]=4 6 B15R1.872 [C@H](N)(C(=O)O)C1=CC(C(=O)O)=C(O)C=C1 T23216 [0,1,0,0,0,0|3,0,0]=4 7 B15R1.4038 COC1=CC(CC(=O)C(=O)O)=CC=C1O T19600 [0,0,0,0,0,1|0,0,2]=3 8 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [2,0,0,0,0,0|0,0,1]=3 9 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.286 C=CCc1ccc(O)c(OC)c1 T1297 [2,0,0,0,0,0|1,0,0]=3 11 B12R1.286 COc1cc(CCN)ccc1O T4710 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.286 COc1cc(CCN)ccc1O T8269 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.286 COc1cc(CCO)ccc1O TN1742 [2,0,0,0,0,0|0,0,1]=3 14 B12R1.286 C\C=C\c1ccc(O)c(OC)c1 T2S0493 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 T13655 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.367 OCC(O)c1ccc(O)c(O)c1 TQ0281 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 T19175 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [2,0,0,0,0,0|0,0,0]=2 23 B12R1.438 COc1cccc(CC(=O)O)c1 Fr13883 [2,0,0,0,0,0|0,0,0]=2 24 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(O)=C1 T23259 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.225 O=C(O)C(O)c1cccc(O)c1 T7634 [2,0,0,0,0,0|0,0,0]=2 29 B14R1.705 O=C(O)CC1=CC([N+](=O)[O-])=C(O)C=C1 T1706 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.3651 COc1ccc(CC(=O)O)cc1OC T0568 [1,1,0,0,0,0|0,0,0]=2 31 B14R2.1008 O=C(O)Cc1ccc2c(c1)CCO2 T1359 [1,0,0,1,0,0|1,0,0]=3 32 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 T2215 [1,0,0,0,0,1|0,0,1]=3 33 B14R1.42 COc1cc(CCC(=O)O)ccc1O T0558 [1,0,0,0,0,1|0,0,0]=2 34 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [1,0,0,0,0,1|1,0,0]=3 35 B14R1.42 COc1cc(\C=C\C(=O)O)ccc1O T5679 [1,0,0,0,0,1|0,0,1]=3 36 B14R1.42 COc1cc(\C=C\C(=O)[O-])ccc1O T2S0007 [1,0,0,0,0,1|0,0,2]=4 37 B14R1.42 COc1cc(\C=C\C(N)=O)ccc1O TN1643 [1,0,0,0,0,1|1,0,1]=4