0 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 9197AD [0,0,0,0,0,0|3,0,1]=4 1 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [0,0,0,0,0,0|2,0,1]=3 2 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 4563AE [0,0,0,0,0,0|2,0,1]=3 3 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 Z2631 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 7597AE [0,0,0,0,0,0|3,0,1]=4 5 B13R1.3 COC1=CC=C(OCC(C)O)C=C1 4291AL [0,0,0,0,0,0|2,0,2]=4 6 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [1,0,0,0,0,0|2,0,0]=3 7 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 0960AQ [1,0,0,0,0,0|3,0,0]=4 8 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [1,0,0,0,0,0|1,0,2]=4 10 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [1,0,0,0,0,0|2,0,1]=4 13 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [1,0,0,0,0,0|1,0,2]=4 14 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 9422AE [1,0,0,0,0,0|3,0,0]=4 15 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [1,0,0,0,0,0|2,1,0]=4 16 B12R1.71 COC1=CC=C(CCC#N)C=C1 1339AB [1,0,0,0,0,0|2,0,1]=4 17 B12R1.71 COC1=CC=C(CCCN)C=C1 4617AB [1,0,0,0,0,0|2,0,1]=4 18 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 9946AC [0,1,0,0,0,0|3,0,0]=4 19 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 Z5633 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 3938AC [0,1,0,0,0,0|3,0,0]=4 21 B14R1.2 COC1=NC=C([C@H](N)CC(=O)O)C=C1 1053AC [0,1,0,0,0,0|3,0,0]=4 22 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.5 CCC(C)NCC1=CC=C(OC)C=C1 2268AF [0,1,0,0,0,0|2,0,1]=4 25 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 1687AC [0,1,0,0,0,0|1,0,1]=3 26 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 1739AC [0,1,0,0,0,0|3,0,0]=4 27 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 X6538 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 Y5873 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 V7796 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.103 COC1=CC(F)=C(CCC(=O)O)C=C1 3198AC [0,1,0,0,0,0|2,0,0]=3 31 B14R1.142 CCOC1=CC=C(\C=C\C(=O)Cl)C=C1 9539AE [0,1,0,0,0,0|2,0,1]=4 32 B14R1.419 CC(=O)NCC1=CC=C(C(=O)O)C=C1 X9431 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.419 CC(=O)OCC1=CC=C(B(O)O)C=C1 V5187 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 9039AC [0,1,0,0,0,0|3,0,0]=4 35 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 7672AD [0,1,0,0,0,0|2,0,0]=3 36 B14R1.3653 COC1=C(Cl)C=C(\C=C\C(=O)O)C=C1 1096AQ [0,1,0,0,0,0|2,0,1]=4 37 B14R1.3653 COC1=CC=C(\C=C\C(C)=O)C=C1Br Z9691 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.134 COC1=CC=C2C=CC(C)=NC2=C1 0084AB [0,0,0,1,0,0|2,0,1]=4 39 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 4419AB [0,0,0,0,1,0|2,0,1]=4 40 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [0,0,0,0,1,0|1,1,1]=4 41 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,0,0,0,1,0|1,0,0]=2 42 B12R1.4 CC(=O)OC1=CC=C(CCl)C=C1 X4658 [0,0,0,0,1,0|2,0,0]=3 43 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 1126AQ [0,0,0,0,1,0|2,0,0]=3 44 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,0,0,0,1,0|2,0,0]=3 45 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 6985AL [0,0,0,0,1,0|1,0,0]=2 46 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 Z2397 [0,0,0,0,1,0|2,0,0]=3 47 B12R1.4 COC1=CC=C(CC(=O)O)C=N1 V8890 [0,0,0,0,1,0|2,0,0]=3 48 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 0374AC [0,0,0,0,1,0|3,0,0]=4 49 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 X5525 [0,0,0,0,1,0|3,0,0]=4 50 B12R1.4 COC1=CC=C(NC(C)C)C=C1 8375AA [0,0,0,0,1,0|2,0,1]=4 51 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 X9403 [0,0,0,0,1,0|3,0,0]=4 52 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,0,0,0,1,0|3,0,0]=4 53 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,0,0,0,1,0|3,0,0]=4 54 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 7933AB [0,0,0,0,0,1|3,0,0]=4 55 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 1768AF [0,0,0,0,0,1|2,0,1]=4 56 B14R1.4 COC1=CC=C(OCCN(C)C)C=C1 7145AB [0,0,0,0,0,1|3,0,0]=4 57 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 2318AL [0,0,0,0,0,1|2,0,0]=3 58 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [2,0,0,0,0,0|1,0,1]=4 59 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [2,0,0,0,0,0|1,0,1]=4 61 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [2,0,0,0,0,0|0,0,1]=3 62 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [2,0,0,0,0,0|2,0,0]=4 63 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [2,0,0,0,0,0|2,0,0]=4 64 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [2,0,0,0,0,0|2,0,0]=4 65 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [2,0,0,0,0,0|1,1,0]=4 66 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.83 COC1=CC=C(CNO)C=C1 7133AB [2,0,0,0,0,0|1,0,1]=4 68 B11R1.83 COC1=CC=C(NC=O)C=C1 6567AL [2,0,0,0,0,0|1,0,0]=3 69 B11R1.83 COCC1=CC=C(CO)C=C1 8790AH [2,0,0,0,0,0|2,0,0]=4 70 B11R1.83 COCC1=CC=C(OC)C=C1 W3311 [2,0,0,0,0,0|0,0,0]=2 71 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 8453AE [1,1,0,0,0,0|2,0,0]=4 72 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 2266AA [1,1,0,0,0,0|2,0,0]=4 74 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 Y9740 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 4708AF [1,1,0,0,0,0|2,0,0]=4 76 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 2650AE [1,1,0,0,0,0|1,0,1]=4 77 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 7665AA [1,1,0,0,0,0|2,0,0]=4 78 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [1,1,0,0,0,0|2,0,0]=4 79 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [1,1,0,0,0,0|2,0,0]=4 80 B13R1.511 CC(=O)CCC1=CC=C(O)C(O)=C1 W1951 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N 1957AJ [1,1,0,0,0,0|2,0,0]=4 82 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 5105AC [1,1,0,0,0,0|2,0,0]=4 83 B13R1.371 CNCCOC1=CC=C(OC)C=C1 7615AC [1,1,0,0,0,0|2,0,0]=4 84 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 8625AA [0,1,0,0,1,0|0,0,0]=2 85 B13R1.35 COC1=CC=C(NC(C)=O)C=C1Cl 8498AE [0,1,0,0,1,0|1,0,0]=3 86 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 6236AA [0,1,0,0,1,0|1,0,0]=3 87 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 X3138 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 1870AB [0,1,0,0,1,0|1,0,0]=3 89 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 V7512 [0,1,0,0,1,0|1,1,0]=4 90 B13R1.142 CC(=O)NC1=CC=C(CCO)C=C1 3688AL [0,1,0,0,1,0|2,0,0]=4 91 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 4950AH [0,1,0,0,1,0|2,0,0]=4 92 B13R1.585 CC(=O)NC1=CC=C([C@@H](C)N)C=C1 9047AH [0,1,0,0,1,0|2,0,0]=4 93 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 5412AE [0,1,0,0,1,0|1,0,0]=3 94 B13R1.653 COC1=CC=C(CC(=O)O)C(Br)=C1 X2673 [0,1,0,0,1,0|1,0,0]=3 95 B13R1.653 COC1=CC=C(CC(C)=O)C(O)=C1 6279AC [0,1,0,0,1,0|0,0,0]=2 96 B13R1.653 COC1=CC=C(NC(C)=O)C(Br)=C1 V7779 [0,1,0,0,1,0|1,0,0]=3 97 B15R1.5 COC1=CC=C(C(=O)COC(C)=O)C=C1 6077AE [0,1,0,0,0,1|0,0,0]=2 98 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 0582AB [0,1,0,0,0,1|1,0,0]=3 99 B15R1.2 COC1=CC=C(C(CN)CC(=O)O)C=C1 8195AD [0,2,0,0,0,0|2,0,0]=4 100 B15R1.3776 COC1=C(Cl)C=C(C(N)CC(=O)O)C=C1 9553AE [0,2,0,0,0,0|2,0,0]=4 101 B15R1.3776 COC1=CC=C(C(N)CC(=O)O)C=C1C 5347AE [0,2,0,0,0,0|2,0,0]=4 102 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 Z1933 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.793 CCOC(=O)C#CC1=CC=C(OC)C=C1 7227AB [0,2,0,0,0,0|1,0,1]=4 104 B15R1.793 CCOC(=O)CNC1=CC=C(OC)C=C1 V6291 [0,2,0,0,0,0|2,0,0]=4 105 B15R1.793 COC1=CC=C(CNC(=O)CC#N)C=C1 9205AD [0,2,0,0,0,0|1,0,0]=3 106 B15R1.793 COC1=CC=C(CNC(=O)CCCl)C=C1 7997AD [0,2,0,0,0,0|1,0,0]=3 107 B15R1.956 O=C(CBr)OCC1=CC=C([N+](=O)[O-])C=C1 1147AQ [0,2,0,0,0,0|2,0,0]=4 108 B15R1.9550 CCOC1=CC=C(\C=C\C(C)=O)C=C1Br V2971 [0,2,0,0,0,0|1,0,1]=4 109 B13R2.57 COC1=CC2=C(C=C1)CCNC2 W3809 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.57 COC1=CC2=C(C=C1)CCNC2 Y9102 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.669 COC1=CC=C2NC=C(C)C2=C1 1126AB [1,0,0,1,0,0|2,0,0]=4 112 B13R2.669 COC1=CC=C2OCC(=O)C2=C1 5188AB [1,0,0,1,0,0|2,0,0]=4 113 B13R2.669 CSC1=CC2=C(C=C1)CCC2=O 0643AQ [1,0,0,1,0,0|1,1,0]=4 114 B13R2.669 N#CC1=CC2=C(C=C1)COC2=O 4912AC [1,0,0,1,0,0|2,0,0]=4 115 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 3573AJ [0,0,0,1,1,0|1,0,1]=4 116 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 6709AB [0,0,0,1,1,0|2,0,0]=4 117 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 V6158 [0,0,0,1,1,0|2,0,0]=4 118 B15R2.2 COC1=CC=C(C2CNC(=O)C2)C=C1 2541AL [0,0,0,1,0,1|1,0,0]=3 119 B15R2.2880 COC1=CC2=C(C=C1)CCCC(=O)N2 1262AB [0,0,0,1,0,1|2,0,0]=4 120 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(C)=O 4790AE [0,0,0,1,0,1|1,0,1]=4 121 B15R2.89396 COC1=CC2=C(C=C1)C(=O)OC(=O)N2 6046AH [0,1,0,1,0,0|1,0,1]=4 122 B15R2.446 COC1=CC=C(COC2CNC2)C=C1 4168AA [0,1,0,1,0,0|1,0,1]=4 123 B11R1.20 CC(=O)NC1=CC=C(O)C=N1 8000AA [1,0,0,0,1,0|2,0,0]=4 124 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [1,0,0,0,1,0|2,0,0]=4 125 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 X5399 [1,0,0,0,1,0|1,0,0]=3 126 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [1,0,0,0,1,0|2,0,0]=4 127 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 6863AE [1,0,0,0,1,0|2,0,0]=4 128 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 W8749 [1,0,0,0,1,0|2,0,0]=4 129 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 1746AL [1,0,0,0,1,0|2,0,0]=4 130 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [1,0,0,0,1,0|2,0,0]=4 131 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 9483AH [0,0,0,0,2,0|2,0,0]=4 132 B11R1.3 COC1=CC=C(C(C)N)C=C1 4964AJ [0,0,0,0,2,0|1,0,1]=4 133 B11R1.3 COC1=CN=C(C(N)=O)C=C1 V8588 [0,0,0,0,2,0|2,0,0]=4 134 B11R1.3 CSC1=CC=C(C(=O)Cl)C=C1 0486AQ [0,0,0,0,2,0|1,1,0]=4 135 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [1,0,0,0,0,1|2,0,0]=4 136 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 V7880 [1,0,0,0,0,1|2,0,0]=4 137 B15R1.4 COC1=CC=C(OCCCC(=O)O)C=C1 5576AE [0,0,0,0,0,2|2,0,0]=4