0 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 Y2708 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1F X2821 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.42 COC1=CC(\C=C\C(N)=O)=CC=C1O W2104 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.511 CC(=O)CCC1=CC=C(O)C(O)=C1 W1951 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.511 CC1=C(C)C=C(\C=C\C(=O)O)C=C1 6546AE [1,0,0,0,0,0|2,0,0]=3 5 B13R1.511 NC(=O)\C=C\C1=CC=C(O)C(O)=C1 W2115 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.511 O=C(Cl)\C=C\C1=CC=C(Cl)C(Cl)=C1 2348AE [1,0,0,0,0,0|3,0,0]=4 7 B13R1.511 O=C(O)\C=C\C1=CC=C(Br)C(F)=C1 V9167 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 6307AB [1,0,0,0,0,0|0,0,2]=3 9 B15R1.4037 COC1=C(O)C=CC(C(N)CC(=O)O)=C1 1191AC [0,1,0,0,0,0|1,0,2]=4 10 B15R1.4038 COC1=C(O)C=CC(CC(O)C(=O)O)=C1 Y1257 [0,1,0,0,0,0|1,0,2]=4 11 B15R1.4038 COC1=C(O)C=CC(CC(O)C(=O)[O-])=C1 6530AL [0,1,0,0,0,0|1,0,2]=4 12 B15R1.4038 COC1=CC(CC(N)C(=O)O)=CC=C1O W8326 [0,1,0,0,0,0|1,0,2]=4 13 B15R2.7688 O=C(Cl)\C=C\C1=CC=C2OCOC2=C1 8837AD [0,0,0,1,0,0|1,0,0]=2 14 B15R2.7688 O=C(O)COC1=CC2=C(C=C1)OCO2 8326AC [0,0,0,1,0,0|2,0,1]=4 15 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [2,0,0,0,0,0|1,0,0]=3 16 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [2,0,0,0,0,0|2,0,0]=4 17 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 3925AD [2,0,0,0,0,0|2,0,0]=4 19 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [2,0,0,0,0,0|1,1,0]=4 20 B12R1.226 NC(=O)C=CC1=CC(F)=CC=C1 0635AQ [2,0,0,0,0,0|2,0,0]=4 21 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(Cl)=C1 3923AD [2,0,0,0,0,0|2,0,0]=4 22 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(F)=C1 2333AE [2,0,0,0,0,0|2,0,0]=4 23 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [2,0,0,0,0,0|2,0,0]=4 24 B14R1.685 CC(=O)CC(=O)C1=CC(C)=C(C)C=C1 4674AE [1,1,0,0,0,0|1,0,1]=4 25 B14R1.833 COC(=O)\C=C\C1=CC(Cl)=C(Cl)C=C1 7102AD [1,1,0,0,0,0|2,0,0]=4 26 B14R1.3653 COC1=C(Cl)C=C(\C=C\C(=O)O)C=C1 1096AQ [1,1,0,0,0,0|2,0,0]=4 27 B14R1.3653 COC1=CC=C(\C=C\C(C)=O)C=C1Br Z9691 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.6059 O=C(O)\C=C\C1=CC=C(O)C(O)=C1O 3595AD [1,1,0,0,0,0|1,0,0]=3 29 B14R1.3405 COC(=O)CC1=CC=C(O)C(OC)=C1 X5169 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.74 COC1=CC=CC(C(=O)CC(C)=O)=C1 9375AD [1,1,0,0,0,0|0,0,1]=3 31 B14R1.77 COC1=CC(CNC(=O)CCl)=CC=C1 2533AE [1,1,0,0,0,0|1,0,1]=4 32 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 7854AC [1,1,0,0,0,0|1,0,0]=3 33 B14R1.343 COC1=C(O)C(Br)=CC(CC(=O)O)=C1 7002AD [0,1,0,0,1,0|1,0,1]=4 34 B14R1.3651 C=C(C)CC1=CC=C(OC)C(OC)=C1 4887AD [0,1,0,0,1,0|1,0,1]=4 35 B16R1.414 COC1=C(OC)C(Cl)=CC(\C=C\[N+](=O)[O-])=C1 1293AQ [0,2,0,0,0,0|2,0,0]=4 36 B16R1.10273 COCC1=C(OC)C=CC(\C=C\C(=O)O)=C1 2290AF [0,2,0,0,0,0|1,0,0]=3 37 B16R1.4274 COC1=C(OC)C=C(\C=C(/C)[N+](=O)[O-])C=C1 2523AD [0,2,0,0,0,0|2,0,0]=4 38 B16R1.20127 COC1=C(OC)C(Cl)=C(\C=C\[N+](=O)[O-])C=C1 1290AQ [0,2,0,0,0,0|2,0,0]=4 39 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 V0328 [1,0,0,1,0,0|1,0,0]=3 40 B14R2.1128 COC1=C(C)C=C2C=CC=CC2=C1 V6919 [1,0,0,1,0,0|1,0,1]=4 41 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 X7021 [1,0,0,1,0,0|0,0,2]=4 42 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=N2 5233AC [1,0,0,1,0,0|2,0,0]=4 43 B14R2.11684 COC1=CC=CC2=C1N=C(Cl)C=C2 9127AE [1,0,0,1,0,0|2,0,0]=4 44 B16R2.477 O=C(O)\C=C\C1=CC2=C(C=C1)OCCO2 4602AD [0,1,0,1,0,0|1,0,0]=3 45 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C 3024AL [0,1,0,1,0,0|2,0,0]=4 46 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 V0135 [0,1,0,1,0,0|1,0,0]=3 47 B12R1.19 CC(=O)NC1=CC=C(Cl)C(O)=C1 V4906 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.56 COC1=CC(C(N)=O)=CC=C1Br V3839 [0,0,0,0,2,0|2,0,0]=4