0 B14R1.744 COC(=O)C1=CC=CC=C1NC(C)=O 2541AB [0,0,0,0,0,0|0,0,0]=0 1 B13R1.380 CCOC1=C(NC(C)=O)C=CC=C1 5695AF [1,0,0,0,0,0|2,0,0]=3 2 B13R1.382 CCOC1=CC=CC=C1C(=O)OC P676 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 6908AJ [1,0,0,0,0,0|2,0,1]=4 4 B13R1.589 CC(=O)C1=CC=CC=C1OC(C)C 8410AE [1,0,0,0,0,0|2,0,1]=4 5 B13R1.589 CC(=O)NC1=C(C(=O)O)C=CC=N1 Z2478 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.589 CC(=O)NC1=CC=CC=C1C(C)C 6490AD [1,0,0,0,0,0|1,0,1]=3 7 B13R1.589 CC(=O)OC1=C(C(C)=O)C=CC=C1 8739AE [1,0,0,0,0,0|1,0,0]=2 8 B13R1.589 CC(C)OC1=CC=CC=C1C(=O)O 7182AE [1,0,0,0,0,0|2,0,1]=4 9 B15R1.810 CCOC(=O)C1=C(OC(C)=O)C=CC=C1 7847AL [0,1,0,0,0,0|1,0,0]=2 10 B15R1.3847 COC(=O)CC1=CC=CC=C1C(=O)OC 1122AC [0,1,0,0,0,0|1,0,0]=2 11 B15R2.19309 COC(=O)C1=C2CC(=O)NC2=CC=C1 N790 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.19309 COC(=O)C1=C2SC(N)=NC2=CC=C1 W4387 [0,0,0,1,0,0|3,0,0]=4 13 B15R2.19309 COC(=O)C1=CC=CC2=C1N=C(N)S2 7378AH [0,0,0,1,0,0|1,1,1]=4 14 B15R2.19309 COC(=O)C1=CC=CC2=NN(C)C=C12 Y5164 [0,0,0,1,0,0|3,0,0]=4 15 B13R1.547 COC(=O)C1=C([N+](=O)[O-])C=NC=C1 Z3828 [0,0,0,0,1,0|3,0,0]=4 16 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F 7480AC [0,0,0,0,1,0|2,0,1]=4 17 B13R1.547 COC(=O)C1=CC=CC=C1C(N)=O 6951AJ [0,0,0,0,1,0|1,0,0]=2 18 B13R1.551 COC(=O)C1=C(NC(C)=O)C=CS1 1279AB [0,0,0,0,1,0|1,0,0]=2 19 B12R1.75 CC(=O)NC1=C(CO)C=CC=C1 5403AJ [2,0,0,0,0,0|0,0,1]=3 20 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 3627AL [2,0,0,0,0,0|0,0,1]=3 21 B12R1.75 CCC1=C(OC(C)=O)C=CC=C1 6982AL [2,0,0,0,0,0|1,0,1]=4 22 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 7462AH [2,0,0,0,0,0|2,0,0]=4 23 B12R1.75 COC1=CC=CC=C1OC(=O)O D884 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.77 COC(=O)C1=C(OC)C=CN=C1 Y6805 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.77 COC(=O)C1=CC=CC=C1C#N X2843 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.77 COC(=O)C1=CC=CC=C1CCl S867 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.77 COC(=O)C1=CC=CC=C1CN 0552AF [2,0,0,0,0,0|1,0,1]=4 28 B12R1.77 COC(=O)C1=NC=CC=C1OC W4763 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.283 CCOC1=CC=CC=C1C(C)=O Z2554 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 4285AC [2,0,0,0,0,0|2,0,0]=4 31 B14R1.164 CC(=O)NC1=C(C(=O)O)C=CC(Cl)=C1 8772AB [1,1,0,0,0,0|0,0,0]=2 32 B14R1.164 CC(=O)NC1=C(C(=O)O)C=CC(F)=C1 2407AE [1,1,0,0,0,0|0,0,0]=2 33 B14R1.429 CC(=O)C1=CC=CC=C1[C@@H](O)C(=O)O 5415AC [1,1,0,0,0,0|2,0,0]=4 34 B14R1.3302 COC(=O)CC1=C(C(=O)O)C=CC=C1 7327AA [1,1,0,0,0,0|1,0,0]=3 35 B14R1.6074 CC(=O)NC1=C(C(=O)O)C=C(F)C=C1 6715AB [1,1,0,0,0,0|0,0,0]=2 36 B14R1.6074 CC(=O)NC1=CC=C(Br)C=C1C(C)=O V4952 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.6074 O=C(O)CC1=CC=C(Br)C=C1C(=O)O 0162AB [1,1,0,0,0,0|2,0,0]=4 38 B14R1.6312 CS(=O)(=O)NC1=CC=CC=C1C(=O)O V3635 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.623 CCOC(=O)C1=C(C(C)=O)C=CC=C1 7838AC [0,1,0,0,1,0|0,0,0]=2 40 B14R1.623 CCOC(=O)C1=C([N+](=O)[O-])C=CC=C1 8182AF [0,1,0,0,1,0|2,0,0]=4 41 B14R1.707 COC(=O)C1=CC(Br)=CC=C1[N+](=O)[O-] W9057 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.707 COC(=O)C1=CC(F)=CC=C1[N+](=O)[O-] W5976 [0,1,0,0,1,0|2,0,0]=4 43 B14R1.707 COC(=O)C1=CC(N)=CC=C1[N+](=O)[O-] 4298AJ [0,1,0,0,1,0|2,0,0]=4 44 B14R1.1126 COC(=O)C1=CC=C(Br)C=C1[N+](=O)[O-] V3566 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.1126 COC(=O)C1=CC=C(F)C=C1[N+](=O)[O-] V3466 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(Cl)=CC=C1 5802AB [0,1,0,0,1,0|2,0,0]=4 47 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(O)=CC=C1 4931AC [0,1,0,0,1,0|2,0,0]=4 48 B14R1.1153 COC(=O)C1=CC=CC(F)=C1[N+](=O)[O-] X9488 [0,1,0,0,1,0|2,0,0]=4 49 B14R1.1164 COC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] 8381AB [0,1,0,0,1,0|2,0,0]=4 50 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1Br 9487AL [0,1,0,0,1,0|2,0,0]=4 51 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1C Y5098 [0,1,0,0,1,0|2,0,0]=4 52 B14R1.748 COC(=O)C1=CC=C(N)C(C(C)=O)=C1 2095AA [0,0,1,1,0,0|2,0,0]=4 53 B14R2.1146 COC1=CC(=O)NC2=CC=CC=C21 2647AB [1,0,0,1,0,0|0,0,1]=3 54 B14R2.1146 COC1=CC(C)=NC2=CC=CC=C21 3491AB [1,0,0,1,0,0|1,0,1]=4 55 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 4740AL [1,0,0,1,0,0|1,0,1]=4 56 B14R2.8188 CC1=C(O)C(=O)C2=CC=CC=C2N1 4162AB [1,0,0,1,0,0|2,0,0]=4 57 B14R2.8188 CN1C(=O)C2=CC=CC=C2NC1=S 5495AD [1,0,0,1,0,0|1,1,0]=4 58 B14R2.10782 COC(=O)C1=C2N=CNC2=CC=C1 Z4672 [1,0,0,1,0,0|1,0,1]=4 59 B14R2.10782 COC(=O)C1=C2OC=NC2=CC=C1 1714AA [1,0,0,1,0,0|2,0,0]=4 60 B14R2.10782 COC(=O)C1=C2SC=NC2=CC=C1 Z3830 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CS2 0232AA [1,0,0,1,0,0|1,1,0]=4 62 B14R2.10782 COC(=O)C1=CC=CC2=C1NN=C2 W8282 [1,0,0,1,0,0|1,0,1]=4 63 B14R2.712 O=C1CC2=C(C=CC=C2C(=O)O)N1 Z5312 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.712 O=C1NC2=CC=CC(C(=O)O)=C2N1 2946AB [1,0,0,1,0,0|1,0,0]=3 65 B14R2.25733 CC(=O)N1C=C(Br)C2=C1C=CC=C2 5043AJ [1,0,0,1,0,0|1,0,1]=4 66 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 W3661 [1,0,0,1,0,0|0,0,0]=2 67 B14R2.4510 O=C1O[Ca]OC(=O)C2=C1C=CC=C2 7317AL [0,0,0,1,1,0|2,0,0]=4 68 B16R2.33901 COC(=O)C1=CC=CC2=C1OCC(=O)N2 4601AD [0,0,0,1,0,1|2,0,0]=4 69 B16R2.173205 COC(=O)C1=CC(Br)=CC2=C1NC(=O)C2 4905AC [0,1,0,1,0,0|0,0,0]=2 70 B16R2.400351 CC(=O)C1=CN(C(C)=O)C2=C1C=CC=C2 9188AA [0,1,0,1,0,0|2,0,0]=4 71 B14R1.4522 CC(=O)C1=C(OCC(=O)O)C=CC=C1 X7145 [1,0,0,0,0,1|2,0,0]=4 72 B14R1.4522 O=C(O)CCC1=CC=CC=C1C(=O)O W8422 [1,0,0,0,0,1|2,0,0]=4 73 B14R1.4522 O=C(O)CNC1=C(C(=O)O)C=CC=C1 6661AE [1,0,0,0,0,1|1,0,0]=3 74 B14R1.4522 O=C(O)CSC1=C(C(=O)O)C=CC=C1 3901AD [1,0,0,0,0,1|2,0,0]=4