0 B14R1.42 COc1cc(/C=C/C(O)=O)ccc1O T2215 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.42 COc1cc(/C=C/C(O)=O)ccc1O T5679 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 COc1cc(/C=C/C([O-])=O)ccc1O T2S0007 [0,0,0,0,0,0|1,0,2]=3 3 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.42 COc1cc(CCC(O)=O)ccc1O T0558 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.42 COc1cc(\C=C\C(N)=O)ccc1O TN1643 [0,0,0,0,0,0|1,0,2]=3 6 B13R1.511 CC(=O)/C=C/c1ccc(O)c(O)c1 T5728 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.511 NC(=O)C=Cc1ccc(O)c(O)c1 TN2881 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.511 OC(=O)/C=C/c1ccc(O)c(O)c1 T2807 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.511 OC(=O)CCc1ccc(O)c(O)c1 T0539 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.575 COc1cc(/C=C/C=O)ccc1O TN3694 [1,0,0,0,0,0|0,0,2]=3 12 B13R1.575 COc1cc(C=CC=O)ccc1O T2S1907 [1,0,0,0,0,0|0,0,2]=3 13 B13R1.575 COc1cc(CCCO)ccc1O TN1578 [1,0,0,0,0,0|0,0,2]=3 14 B13R1.643 COc1cccc(CCC(O)=O)c1 T5272 [1,0,0,0,0,0|1,0,0]=2 15 B15R1.4038 COc1cc(CC(=O)C(O)=O)ccc1O T19600 [0,1,0,0,0,0|1,0,1]=3 16 B15R1.4038 COc1cc(CC(N)C(O)=O)ccc1O T9492 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.4039 COC(C=Cc1cc(OC)c(O)cc1)=O TL0004 [0,1,0,0,0,0|0,0,2]=3 18 B15R1.12854 COC1=C(C=C(C=C1)\C=C\C(=O)O)OC T3759 [0,1,0,0,0,0|1,0,2]=4 19 B15R1.12854 COc1ccc(CCC(O)=O)cc1OC T1692 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.1754 COc1cc2ccc(=O)oc2cc1O T2984 [0,0,0,1,0,0|1,0,2]=4 21 B15R2.7688 CC(=O)CCc1ccc2OCOc2c1 T20460 [0,0,0,1,0,0|0,0,0]=1 22 B15R2.7688 OC(=O)/C=C/c1ccc2OCOc2c1 TN7074 [0,0,0,1,0,0|1,0,2]=4 23 B15R2.36352 COc1c(O)ccc2ccc(=O)oc12 TN4236 [0,0,0,1,0,0|1,0,2]=4 24 B13R1.52 COc1cc(CC(O)=O)ccc1O T3S0507 [0,0,0,0,1,0|1,0,0]=2 25 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [2,0,0,0,0,0|0,0,2]=4 31 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [2,0,0,0,0,0|0,0,2]=4 33 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [2,0,0,0,0,0|0,0,2]=4 34 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.286 COc1cc(C=CC)ccc1O T2S0493 [2,0,0,0,0,0|0,0,1]=3 37 B12R1.286 COc1cc(CC=C)ccc1O T1297 [2,0,0,0,0,0|0,0,1]=3 38 B12R1.286 COc1cc(CCN)ccc1O T4710 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.286 COc1cc(CCN)ccc1O T8269 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.286 COc1cc(CCO)ccc1O TN1742 [2,0,0,0,0,0|0,0,1]=3 41 B14R1.684 C[N+](C)(C)CCC1=CC(=C(C=C1)O)O TN7066 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O T15138 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.686 NC(Cc1ccc(O)c(O)c1)C([O-])=O T32701 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T5280 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O T5568 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.686 N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O T31423 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O T0848 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.686 OC(Cc1ccc(O)c(O)c1)C([O-])=O T2944 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.686 O[C@H](Cc1ccc(O)c(O)c1)C(O)=O T3227 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.833 O=C(OC)\C=C\C1=CC=C(O)C(O)=C1 TN1926 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.793 COc1ccc(C/C=C\F)cc1OC T35291 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.907 COCC=Cc1ccc(O)c(OC)c1 TN4096 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.41 COc1c(O)ccc(c1)C(O)C(=O)O T0611 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.41 COc1cc(ccc1O)[C@@H](O)[C@H](C)O TN4001 [0,1,0,0,1,0|0,0,2]=4 55 B14R1.41 COc1cc(ccc1O)[C@H](O)[C@H](C)O TN5142 [0,1,0,0,1,0|0,0,2]=4 56 B14R1.41 OC(C1=CC=C(O)C(OC)=C1)C(O)=O T35037 [0,1,0,0,1,0|1,0,0]=3 57 B14R1.3651 COc1ccc(CC(O)=O)cc1OC T0568 [0,1,0,0,1,0|1,0,0]=3 58 B16R1.4709 COc1cc(ccc1O)C(O)CNC(C)C T33361 [0,1,0,0,0,1|1,0,1]=4 59 B16R1.4276 COc1ccc(CNC(=O)CCl)cc1OC T7415 [0,2,0,0,0,0|1,0,0]=3 60 B16R1.15083 CCOC(=O)\C=C\c1cc(c(cc1)O)OC T2821 [0,2,0,0,0,0|0,0,2]=4 61 B14R2.8239 NC1CCc2cc(O)c(O)cc2C1 T23643 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.11684 COc1cccc2CCC(N)Cc12 T37197 [1,0,0,1,0,0|1,0,1]=4 63 B14R2.1008 OC(=O)Cc1ccc2OCCc2c1 T1359 [0,0,0,1,1,0|2,0,0]=4 64 B16R2.6257 CN(Cc1ccc2OCOc2c1)C(C)=O T37859 [0,1,0,1,0,0|1,0,0]=3 65 B16R2.1357 CC(CCc1ccc2OCOc2c1)NN T26173 [0,1,0,1,0,0|1,0,1]=4 66 B16R2.1679 COc1cc2CCN(C)C(=O)c2cc1O TN5139 [0,1,0,1,0,0|1,0,0]=3 67 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [1,0,0,0,1,0|1,0,0]=3 68 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [1,0,0,0,1,0|1,0,0]=3 72 B12R1.438 CCc1cccc(OC(C)=O)c1 T34011 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.438 COc1cccc(CC(O)=O)c1 Fr13883 [1,0,0,0,1,0|1,0,0]=3 74 B12R1.56 COc1cc(ccc1O)C(C)=O T6391 [0,0,0,0,2,0|0,0,0]=2 75 B12R1.56 COc1cc(ccc1O)C(O)=O T9115 [0,0,0,0,2,0|1,0,0]=3