0 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O F0218 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 D8212 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 A14459 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 D8276 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 B10839 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 D8358 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [1,0,0,0,0,0|0,0,0]=1 8 B15R1.12854 COC1=C(OC)C=C(\C=C\[N+](=O)[O-])C=C1 D9414 [0,1,0,0,0,0|1,0,1]=3 9 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC D2314 [0,1,0,0,0,0|0,0,2]=3 10 B15R1.12854 COC1=CC=C(\C=C\C(=O)O)C=C1OC D0224 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 M8680 [0,0,0,1,0,0|1,0,2]=4 12 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 D12489 [0,0,0,1,0,0|1,0,2]=4 13 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O H8215 [0,0,0,0,1,0|1,0,1]=3 14 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [2,0,0,0,0,0|0,0,2]=4 17 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [2,0,0,0,0,0|0,0,0]=2 19 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 H7667 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [2,0,0,0,0,0|0,0,2]=4 21 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 C8303 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 B3797 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 F0985 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [2,0,0,0,0,0|0,0,0]=2 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 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [2,0,0,0,0,0|0,0,1]=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 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [1,1,0,0,0,0|0,0,2]=4 29 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [1,1,0,0,0,0|0,0,2]=4 30 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F F8842 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.6355 O=C(O)\C=C\C1=CC=CC([N+](=O)[O-])=C1 N0222 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 A14544 [0,1,0,0,1,0|0,0,1]=3 33 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 D3338 [0,1,0,0,1,0|0,0,1]=3 34 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 D1300 [0,1,0,0,1,0|1,0,1]=4 35 B16R1.423 COC1=CC(\C=C\C(=O)O)=CC(OC)=C1O D10069 [0,2,0,0,0,0|0,0,0]=2 36 B16R1.4274 COC1=C(OC)C=C(\C=C(/C)[N+](=O)[O-])C=C1 D10023 [0,2,0,0,0,0|1,0,1]=4 37 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC D7199 [0,2,0,0,0,0|0,0,2]=4 38 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 E9978 [0,2,0,0,0,0|0,0,0]=2 39 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 D5659 [1,0,0,1,0,0|0,0,0]=2 40 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 D6978 [1,0,0,1,0,0|0,0,0]=2 41 B14R2.2332 CCC1=CC2=C(C=C1)C=C(O)C=C2 E7916 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M7952 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 A0600 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 B8971 [0,0,0,1,1,0|1,0,1]=4 45 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 B18356 [0,0,0,1,1,0|0,0,1]=3 46 B16R2.11587 CC(=O)CC(=O)C1=CC=C2OCOC2=C1 B16078 [0,1,0,1,0,0|1,0,1]=4 47 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 S9274 [0,1,0,1,0,0|0,0,0]=2 48 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 B10333 [1,0,0,0,1,0|1,0,1]=4 49 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 C2432 [1,0,0,0,1,0|1,0,1]=4 50 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M0114 [1,0,0,0,1,0|0,0,1]=3 51 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A14640 [0,0,0,0,2,0|2,0,0]=4 52 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M4997 [0,0,0,0,2,0|1,0,0]=3 53 B12R1.56 COC1=C(O)C=CC(C(=N)N)=C1 H13824 [0,0,0,0,2,0|2,0,0]=4 54 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 H1465 [0,0,0,0,2,0|0,0,0]=2 55 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M0420 [0,0,0,0,2,0|1,0,1]=4 56 B12R1.56 COC1=CC(C(=O)O)=CC=C1F F5226 [0,0,0,0,2,0|1,0,0]=3 57 B12R1.56 COC1=CC(C(=O)O)=CC=C1N A11531 [0,0,0,0,2,0|1,0,0]=3 58 B12R1.56 COC1=CC(C(C)=O)=CC=C1O M4699 [0,0,0,0,2,0|1,0,0]=3 59 B12R1.56 COC1=CC(C(C)O)=CC=C1O H13091 [0,0,0,0,2,0|1,0,1]=4 60 B14R1.1600 COC1=CC(O)=CC=C1\C=C\C(=O)O H14871 [0,0,0,0,1,1|0,0,0]=2