0 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 6070AH [0,0,0,0,0,0|2,0,0]=2 1 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1I 7338AA [0,0,0,0,0,0|2,0,0]=2 2 B14R1.160 O=C(O)CNC(=O)C1=NC=CC=C1O SYN5564 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 7164AJ [1,0,0,0,0,0|2,0,1]=4 4 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2633AJ [1,0,0,0,0,0|1,0,1]=3 5 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2634AJ [1,0,0,0,0,0|1,0,1]=3 6 B13R1.45 N\C(=N/CC(=O)O)C1=CC=CC=C1 0280AE [1,0,0,0,0,0|2,0,0]=3 7 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 5808AE [1,0,0,0,0,0|1,0,0]=2 8 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 6803AD [1,0,0,0,0,0|2,0,0]=3 9 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 2505AL [1,0,0,0,0,0|1,0,1]=3 10 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 5613AJ [1,0,0,0,0,0|2,0,0]=3 11 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 9371AD [1,0,0,0,0,0|2,0,0]=3 12 B15R1.124 O=C(O)CCC(=O)C1=C(Cl)C(Cl)=CC=C1 0110AE [0,1,0,0,0,0|1,0,0]=2 13 B15R1.5815 O=C(CCl)NNC(=O)C1=CC=CC=C1O 9167AD [0,1,0,0,0,0|3,0,0]=4 14 B15R1.5822 CC1=C(C(=O)CCC(=O)O)C=CC(Cl)=C1 2920AF [0,1,0,0,0,0|1,0,0]=2 15 B15R1.5822 CC1=CC(O)=C(C(=O)CCC(=O)O)C=C1 2507AL [0,1,0,0,0,0|0,0,0]=1 16 B15R1.8420 O=C(O)CCC(=O)C1=C(Cl)C=CC(Cl)=C1 4872AE [0,1,0,0,0,0|1,0,0]=2 17 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 5528AE [0,0,0,1,0,0|3,0,0]=4 18 B15R2.6 O=C(O)CCC1=CNC2=NC=CC=C12 Y8531 [0,0,0,1,0,0|3,0,0]=4 19 B15R2.6 O=C(O)CSC1=CNC2=CC=CC=C21 5335AE [0,0,0,1,0,0|3,0,0]=4 20 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O 5120AB [0,0,0,1,0,0|2,0,0]=3 21 B15R2.14951 CN1CC(C(=O)O)OC2=CC=CC=C21 Y8234 [0,0,0,1,0,0|2,0,0]=3 22 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 5154AJ [0,0,0,1,0,0|2,0,1]=4 23 B15R2.14951 O=C1NC(C(=O)O)CC2=C1C=CC=C2 7169AE [0,0,0,1,0,0|2,0,0]=3 24 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C Y9479 [0,0,0,0,1,0|2,0,0]=3 25 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 8180AF [0,0,0,0,1,0|2,0,0]=3 26 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 2300AC [0,0,0,0,1,0|1,0,1]=3 27 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F Z5660 [0,0,0,0,1,0|2,0,1]=4 28 B15R1.256 CC1=CC=CC=C1NC(=O)CCC(=O)O 1927AE [0,0,0,0,0,1|1,0,0]=2 29 B15R1.256 NC1=C(NC(=O)CCC(=O)O)C=CC=C1 0307AF [0,0,0,0,0,1|1,0,0]=2 30 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 1383AC [2,0,0,0,0,0|1,0,0]=3 31 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [2,0,0,0,0,0|1,0,1]=4 32 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [2,0,0,0,0,0|1,0,1]=4 33 B14R1.149 CC1=CC(C(=O)CCC(=O)O)=CC=C1 6394AE [1,1,0,0,0,0|0,0,0]=2 34 B14R1.149 O=C(O)CCC(=O)C1=CC(Cl)=CC=C1 9529AB [1,1,0,0,0,0|0,0,0]=2 35 B14R1.149 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 5946AE [1,1,0,0,0,0|1,0,0]=3 36 B14R1.149 O=C(O)CNC(=O)C1=NC=CC(Cl)=C1 0744AF [1,1,0,0,0,0|2,0,0]=4 37 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 2066AB [1,1,0,0,0,0|2,0,0]=4 38 B14R1.163 NNC(=O)CNC(=O)C1=CC=CC=C1 8225AD [1,1,0,0,0,0|2,0,0]=4 39 B14R1.415 CC(CC(=O)C1=CC=CC=C1)[N+](=O)[O-] S418 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 8400AA [1,1,0,0,0,0|1,0,0]=3 41 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 5122AE [1,1,0,0,0,0|0,0,0]=2 42 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 1666AC [1,1,0,0,0,0|2,0,0]=4 43 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Cl)C=C1 2431AE [1,1,0,0,0,0|2,0,0]=4 44 B14R1.678 CC(=O)OCC(=O)C1=CC=C(F)C=C1 1723AE [1,1,0,0,0,0|2,0,0]=4 45 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 5246AB [1,1,0,0,0,0|0,0,0]=2 46 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 6209AA [1,1,0,0,0,0|1,0,0]=3 47 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 4943AH [1,1,0,0,0,0|1,0,0]=3 48 B14R1.96 COC1=CC=CC=C1CCCC(=O)O 0455AE [1,1,0,0,0,0|0,0,1]=3 49 B14R1.96 N#CC1=C(OCCC(=O)O)C=CC=C1 5616AJ [1,1,0,0,0,0|2,0,0]=4 50 B14R1.161 NC(CCC1=C(Cl)C=CC=C1)C(=O)O 4749AA [1,1,0,0,0,0|1,0,1]=4 51 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O Z5882 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 5367AB [1,1,0,0,0,0|1,0,1]=4 53 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 2444AB [1,1,0,0,0,0|1,0,1]=4 54 B14R1.337 N[C@H](CC(=O)O)CC1=C(Br)C=CC=C1 5427AB [1,1,0,0,0,0|1,0,1]=4 55 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F 1893AB [1,1,0,0,0,0|1,0,1]=4 56 B14R1.1035 NC1=CC=CC=C1C(=O)NCCCO 9747AD [1,1,0,0,0,0|1,0,1]=4 57 B14R1.2523 O=C(NCCO)C1=CC=C(O)C=C1O S340 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.840 COC1=C(C(N)CC(=O)O)C=CC=C1 0744AA [0,1,0,0,1,0|1,0,1]=4 59 B14R1.6048 NC(CC(=O)O)C1=CC=C(O)C=C1O 5782AJ [0,1,0,0,1,0|1,0,1]=4 60 B16R1.1369 CCC1=C(NC(=O)CCC(=O)O)C=CC=C1 2619AE [0,1,0,0,0,1|1,0,0]=3 61 B16R1.7488 CC1=CC(NC(=O)CCC(=O)O)=C(F)C=C1 2743AF [0,1,0,0,0,1|1,0,0]=3 62 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(Cl)C=C1F 2750AF [0,1,0,0,0,1|1,0,0]=3 63 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(Cl)C=C1 7087AE [0,2,0,0,0,0|0,0,0]=2 64 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(F)C=C1 4294AE [0,2,0,0,0,0|0,0,0]=2 65 B16R1.4361 COC1=CC=C(C)C=C1C(=O)CCC(=O)O 5458AE [0,2,0,0,0,0|0,0,0]=2 66 B16R1.4547 O=C(O)CNC(=O)C1=C([N+](=O)[O-])C=CC=C1 0437AA [0,2,0,0,0,0|1,0,1]=4 67 B16R1.11263 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1O 0925AB [0,2,0,0,0,0|1,0,0]=3 68 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1F 9619AD [0,2,0,0,0,0|2,0,0]=4 69 B16R1.44633 CC1=CC(C)=C(C(=O)CCC(=O)O)C(C)=C1 5021AD [0,2,0,0,0,0|1,0,0]=3 70 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 V6312 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 7325AC [1,0,0,1,0,0|2,0,0]=4 72 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 1717AE [1,0,0,1,0,0|2,0,0]=4 73 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 Z3947 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9090AH [1,0,0,1,0,0|1,0,1]=4 75 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9091AH [1,0,0,1,0,0|1,0,1]=4 76 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 8936AH [1,0,0,1,0,0|1,0,1]=4 77 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 5186AJ [1,0,0,1,0,0|1,0,1]=4 78 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 5190AJ [1,0,0,1,0,0|1,0,1]=4 79 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O 8325AC [0,0,0,1,0,1|0,0,0]=2 80 B16R2.3270 O=C(O)C1CC(C2=C(O)C=CC=C2)=NO1 8569AE [0,0,0,1,0,1|2,0,0]=4 81 B16R2.83538 O=C(O)CN1C=NC2=CC=CC=C2C1=O 7266AA [0,1,0,1,0,0|2,0,0]=4 82 B16R2.83538 O=C(O)CN1N=CC2=CC=CC=C2C1=O 2795AF [0,1,0,1,0,0|2,0,0]=4 83 B16R2.83538 O=C(O)CN1N=NC2=CC=CC=C2C1=O 4570AF [0,1,0,1,0,0|2,0,0]=4 84 B16R2.104522 CN1C=C(CCC(=O)O)C2=C1C=CC=C2 9147AE [0,1,0,1,0,0|2,0,0]=4 85 B16R2.22890 CC1=CC=CC2=C1OC(C(=O)O)=CC2=O 2088AE [0,1,0,1,0,0|0,0,2]=4 86 B16R2.3355 CC(C(=O)O)N1CC2=CC=CC=C2C1=O 7893AE [0,1,0,1,0,0|2,0,0]=4 87 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(Br)C=C2 2897AL [0,1,0,1,0,0|2,0,0]=4 88 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 1598AF [0,1,0,1,0,0|1,1,0]=4 89 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 8241AC [1,0,0,0,1,0|1,0,0]=3 90 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 0856AE [1,0,0,0,1,0|2,0,0]=4 91 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [1,0,0,0,1,0|1,0,1]=4 92 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [1,0,0,0,1,0|2,0,0]=4 93 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [1,0,0,0,1,0|1,0,1]=4 94 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [1,0,0,0,1,0|1,0,1]=4 95 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [1,0,0,0,1,0|2,0,0]=4 96 B12R1.124 NC1=C(C(=O)C(=O)O)C=CC=C1 6619AB [0,0,0,0,2,0|1,0,0]=3 97 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 2424AC [0,0,0,0,2,0|1,0,0]=3 98 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F 7701AD [1,0,0,0,0,1|1,0,1]=4 99 B16R1.7414 O=C(O)COCC(=O)NC1=CC=CC=C1O 7802AC [0,0,0,0,0,2|0,0,0]=2