0 B14R1.41 COC1=C(F)C=CC([C@H](N)C(=O)O)=C1 A52081 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.52 N#CC1=C(F)C=CC(CC(=O)O)=C1 C50890 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.510 C[C@@H](C(=O)O)C1=CC(Cl)=C(N)C=C1 A49817 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.4239 O=C(O)[C@H](O)C1=CC2=C(C=C1)OCC2 D52489 [0,0,0,1,0,0|1,0,0]=2 5 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [2,0,0,0,0,0|1,0,1]=4 6 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 M46943 [2,0,0,0,0,0|2,0,0]=4 7 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [2,0,0,0,0,0|1,0,1]=4 8 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 C46262 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 F46263 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A37413 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A52184 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 M61518 [2,0,0,0,0,0|0,0,2]=4 17 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 F51951 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A48971 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 B38612 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 B48138 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D39472 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C24991 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 B48139 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 C48175 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 D68031 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 C51174 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 F51625 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [2,0,0,0,0,0|0,0,0]=2 54 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [2,0,0,0,0,0|0,0,1]=3 56 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [2,0,0,0,0,0|1,0,0]=3 65 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.6420 O=C(O)[C@H](O)C1=CC=CC([N+](=O)[O-])=C1 H48539 [1,1,0,0,0,0|2,0,0]=4 68 B16R1.4273 COC1=C(OC)C=C([C@@H](N)CC(=O)O)C=C1 A54898 [0,1,0,0,0,1|1,0,0]=3 69 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54897 [0,1,0,0,0,1|1,0,0]=3 70 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54899 [0,1,0,0,0,1|1,0,0]=3 71 B16R1.10272 CCOC1=C(OC)C=CC([C@H](N)C(=O)O)=C1 A54900 [0,2,0,0,0,0|1,0,0]=3 72 B14R2.1008 O=C(Cl)OC1=CC2=C(C=C1)OCO2 B47823 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 D65567 [1,0,0,1,0,0|1,0,0]=3 74 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [1,0,0,1,0,0|0,0,0]=2 75 B16R2.11587 N[C@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 A54116 [0,0,0,1,0,1|1,0,0]=3 76 B14R1.685 CC1=C(C)C=C([C@H](N)CC(=O)O)C=C1 A55511 [1,0,0,0,0,1|2,0,0]=4 77 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 A52982 [1,0,0,0,0,1|1,0,0]=3 78 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 M52977 [1,0,0,0,0,1|1,0,0]=3 79 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52986 [1,0,0,0,0,1|1,0,0]=3