0 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O F0218 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 D8212 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 A14459 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 D8276 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 D8445 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [1,0,0,0,0,0|1,0,2]=4 7 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC D2314 [0,1,0,0,0,0|1,0,0]=2 8 B15R1.12854 COC1=CC=C(\C=C\C(=O)O)C=C1OC D0224 [0,1,0,0,0,0|1,0,2]=4 9 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 M8680 [0,0,0,1,0,0|0,0,0]=1 10 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 D12489 [0,0,0,1,0,0|2,0,0]=3 11 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O H8215 [0,0,0,0,1,0|0,0,0]=1 12 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [2,0,0,0,0,0|0,0,0]=2 13 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H9102 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.21 C[C@@H](N)CCC1=CC=C(O)C=C1 A15452 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 E1324 [2,0,0,0,0,0|0,0,1]=3 26 B12R1.286 COC1=CC(CCN)=CC=C1O M9172 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [2,0,0,0,0,0|0,0,1]=3 29 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.793 [C-]#[N+]CCC1=CC=C(OC)C(OC)=C1 D8649 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 A14544 [0,1,0,0,1,0|1,0,0]=3 33 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 D3338 [0,1,0,0,1,0|1,0,0]=3 34 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 D1300 [0,1,0,0,1,0|0,0,0]=2 35 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC D13776 [0,1,0,0,1,0|2,0,0]=4 36 B14R1.3651 COC1=CC=C(CC(N)=S)C=C1OC D9507 [0,1,0,0,1,0|1,1,0]=4 37 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC D7199 [0,2,0,0,0,0|1,0,0]=3 38 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 E9978 [0,2,0,0,0,0|0,0,2]=4 39 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 M8064 [1,0,0,1,0,0|0,0,0]=2 40 B14R2.2332 COC1=CC=C2NC(=O)CCC2=C1 M4106 [1,0,0,1,0,0|1,0,0]=3 41 B14R2.11684 COC1=CC=CC2=C1CC(N)CC2 A18202 [1,0,0,1,0,0|1,0,1]=4 42 B14R2.1008 N=C(N)CC1=CC=C2OCOC2=C1 B13135 [0,0,0,1,1,0|2,0,0]=4 43 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 B8971 [0,0,0,1,1,0|1,0,0]=3 44 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 B18356 [0,0,0,1,1,0|1,0,0]=3 45 B16R2.11587 CC(=O)CC(=O)C1=CC=C2OCOC2=C1 B16078 [0,1,0,1,0,0|0,0,1]=3 46 B12R1.19 CC(=O)NC1=CC=C(C)C(C)=C1 A18038 [1,0,0,0,1,0|2,0,0]=4 47 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 B10333 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 C2432 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 M13859 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M0114 [1,0,0,0,1,0|1,0,0]=3 51 B12R1.438 CSC1=CC=CC(NC(C)=O)=C1 A3896 [1,0,0,0,1,0|1,1,0]=4 52 B12R1.56 CC(=O)C1=CC=C(O)C(CCl)=C1 C8388 [0,0,0,0,2,0|2,0,0]=4 53 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M4997 [0,0,0,0,2,0|2,0,0]=4 54 B12R1.56 COC1=C(O)C=CC(C(=N)N)=C1 H13824 [0,0,0,0,2,0|2,0,0]=4 55 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 H1465 [0,0,0,0,2,0|1,0,0]=3 56 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M0420 [0,0,0,0,2,0|2,0,0]=4 57 B12R1.56 COC1=CC(C(=O)O)=CC=C1F F5226 [0,0,0,0,2,0|2,0,0]=4 58 B12R1.56 COC1=CC(C(=O)O)=CC=C1N A11531 [0,0,0,0,2,0|2,0,0]=4 59 B12R1.56 COC1=CC(C(C)=O)=CC=C1O M4699 [0,0,0,0,2,0|0,0,0]=2 60 B12R1.56 COC1=CC(C(C)O)=CC=C1O H13091 [0,0,0,0,2,0|0,0,2]=4