0 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 D54780 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.511 CC1=C(F)C=C(C=CC(=O)O)C=C1 F54001 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.511 O=C(O)C=CC1=CC(Cl)=C(F)C=C1 C50975 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 D50986 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.643 COC1=CC=CC(C=C[N+](=O)[O-])=C1 M51818 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 M37285 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 M68987 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 M65845 [1,0,0,0,0,0|1,0,1]=3 8 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 D39655 [0,1,0,0,0,0|0,0,2]=3 9 B15R2.7688 O=C(O)C=CC1=CC2=C(C=C1)OCO2 B39641 [0,0,0,1,0,0|0,0,0]=1 10 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 D67102 [0,0,0,1,0,0|1,0,2]=4 11 B15R2.7688 O=C(O)\C=C/C1=CC2=C(C=C1)OCC2 D67092 [0,0,0,1,0,0|1,0,0]=2 12 B15R2.36352 COC1=C(Cl)C=CC2=NC=C(O)N=C21 C51105 [0,0,0,1,0,0|3,0,0]=4 13 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,0,0,0,1,0|1,0,1]=3 14 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 O=[N+]([O-])C=CC1=CC=C(O)C=C1 N48495 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [2,0,0,0,0,0|0,0,2]=4 29 B14R1.6059 O=C(O)C=CC1=CC=C(F)C(F)=C1F T50776 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.6059 O=C(O)\C=C\C1=C(O)C(O)=C(O)C=C1 T0630 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.15552 O=C(O)C=CC1=CC(F)=C(F)C(F)=C1 T50775 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 A52982 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 M52977 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52986 [1,1,0,0,0,0|0,0,2]=4 35 B14R1.41 COC1=C(F)C=CC([C@H](N)C(=O)O)=C1 A52081 [0,1,0,0,1,0|1,0,1]=4 36 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,1,0,0,1,0|1,0,1]=4 37 B16R1.20040 COC1=CC(Br)=C(CCC(=O)O)C=C1OC B64124 [0,2,0,0,0,0|0,0,2]=4 38 B16R1.4273 COC1=C(OC)C=C([C@@H](N)CC(=O)O)C=C1 A54898 [0,2,0,0,0,0|0,0,2]=4 39 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54897 [0,2,0,0,0,0|0,0,2]=4 40 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54899 [0,2,0,0,0,0|0,0,2]=4 41 B14R2.4513 CC1=C(Cl)C=CC2=C1NC(=O)C=C2 C53789 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 D0663 [1,0,0,1,0,0|0,0,0]=2 43 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 B55421 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 M55760 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 E38092 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=N2 M51375 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M54403 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 M54343 [1,0,0,1,0,0|1,0,0]=3 49 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 B68116 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 C19090 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 M61686 [1,0,0,1,0,0|0,0,0]=2 52 B14R2.1008 O=C(Cl)OC1=CC2=C(C=C1)OCO2 B47823 [0,0,0,1,1,0|2,0,0]=4 53 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 D65567 [0,0,0,1,1,0|1,0,1]=4 54 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [0,0,0,1,1,0|0,0,1]=3 55 B16R2.11587 N[C@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 A54116 [0,1,0,1,0,0|0,0,2]=4 56 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [1,0,0,0,1,0|1,0,1]=4 57 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [1,0,0,0,1,0|1,0,1]=4 58 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [1,0,0,0,1,0|1,0,1]=4 59 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [1,0,0,0,1,0|0,0,1]=3 60 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [1,0,0,0,1,0|1,0,1]=4 61 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [1,0,0,0,1,0|2,0,0]=4 62 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [1,0,0,0,1,0|1,0,1]=4 63 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A50043 [0,0,0,0,2,0|2,0,0]=4 64 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [0,0,0,0,2,0|1,0,0]=3 65 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 B37401 [0,0,0,0,2,0|2,0,0]=4 66 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,0,0,0,2,0|1,0,0]=3 67 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [0,0,0,0,2,0|1,0,0]=3 68 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 C45435 [0,0,0,0,2,0|2,0,0]=4 69 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [0,0,0,0,2,0|1,0,0]=3 70 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [0,0,0,0,2,0|1,0,1]=4 71 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [0,0,0,0,2,0|1,0,1]=4 72 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 C47725 [0,0,0,0,2,0|2,0,0]=4 73 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 F68325 [0,0,0,0,2,0|2,0,0]=4