0 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,0,0,0,0,0|3,0,0]=3 1 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 0960AQ [0,0,0,0,0,0|3,0,0]=3 3 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [0,0,0,0,0,0|2,0,2]=4 4 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [0,0,0,0,0,0|1,0,2]=3 5 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,0,0,0,0,0|3,0,0]=3 7 B12R1.21 CC1=CC=C(NNC(N)=S)C=C1 9022AE [0,0,0,0,0,0|3,1,0]=4 8 B12R1.21 CC1=CC=C(NNC(N)=S)C=C1 9023AE [0,0,0,0,0,0|3,1,0]=4 9 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [0,0,0,0,0,0|2,0,2]=4 10 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [0,0,0,0,0,0|1,0,2]=3 11 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 6319AE [0,0,0,0,0,0|3,0,0]=3 12 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 0097AE [0,0,0,0,0,0|3,0,0]=3 13 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 1170AJ [0,0,0,0,0,0|3,0,0]=3 14 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 6031AE [0,0,0,0,0,0|2,0,0]=2 15 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 9422AE [0,0,0,0,0,0|2,0,0]=2 16 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,0,0,0,0,0|2,0,2]=4 17 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 3925AD [0,0,0,0,0,0|2,0,2]=4 18 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 Z4594 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,0,0,0,0,0|1,1,2]=4 20 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,0,0,0,0,0|1,1,0]=2 21 B11R1.1 BrCCCC1=CC=C(Br)C=C1 Y4633 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [1,0,0,0,0,0|2,0,0]=3 23 B11R1.1 C=CCOC1=CC=C(N)C=C1 5430AD [1,0,0,0,0,0|3,0,0]=4 24 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [1,0,0,0,0,0|2,0,1]=4 26 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.1 CNCCC1=CC=C(Br)C=C1 V7496 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.1 COCCC1=CC=C(Br)C=C1 V6879 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.1 NCCCC1=CC=C(Cl)C=C1 9748AA [1,0,0,0,0,0|1,0,1]=3 32 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [1,0,0,0,0,0|1,0,1]=3 33 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [1,0,0,0,0,0|1,0,1]=3 34 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [1,0,0,0,0,0|1,0,1]=3 35 B11R1.1 NCCNC1=CC=C(Cl)C=C1 4194AD [1,0,0,0,0,0|2,0,1]=4 36 B11R1.1 NCCNC1=CC=C(F)C=C1 4360AJ [1,0,0,0,0,0|2,0,1]=4 37 B11R1.1 NCCOC1=CC=C(Br)C=C1 7657AE [1,0,0,0,0,0|2,0,1]=4 38 B11R1.1 NCCSC1=CC=C(Br)C=C1 8241AE [1,0,0,0,0,0|2,0,1]=4 39 B11R1.1 NCCSC1=CC=C(Cl)C=C1 1627AE [1,0,0,0,0,0|2,0,1]=4 40 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [1,0,0,0,0,0|1,0,0]=2 41 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [1,0,0,0,0,0|2,0,0]=3 42 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 0552AQ [1,0,0,0,0,0|1,0,2]=4 43 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [1,0,0,0,0,0|2,0,1]=4 45 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [1,0,0,0,0,0|2,0,1]=4 46 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [1,0,0,0,0,0|1,0,0]=2 49 B11R1.91 N=C(N)COC1=CC=CC=C1 0368AC [1,0,0,0,0,0|2,0,0]=3 50 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [1,0,0,0,0,0|1,0,2]=4 51 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [1,0,0,0,0,0|1,0,2]=4 52 B11R1.91 NC(=O)C#CC1=CC=CC=C1 2477AL [1,0,0,0,0,0|0,0,2]=3 53 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [1,0,0,0,0,0|1,0,0]=2 54 B11R1.91 NC(=O)CNC1=CC=CC=C1 V4420 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 O=C(O)CCC1=NC=CC=C1 V3472 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [1,0,0,0,0,0|3,0,0]=4 60 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [1,0,0,0,0,0|1,0,2]=4 61 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [0,1,0,0,0,0|1,0,2]=4 62 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 4563AE [0,1,0,0,0,0|1,0,1]=3 63 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 Z2631 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 7597AE [0,1,0,0,0,0|2,0,1]=4 65 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 8453AE [0,1,0,0,0,0|1,0,0]=2 66 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 2266AA [0,1,0,0,0,0|2,0,0]=3 68 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 Y9740 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.14 NNC(=O)CNC1=CC=C(Cl)C=C1 8021AD [0,1,0,0,0,0|2,0,0]=3 70 B13R1.14 NNC(=O)CNC1=CC=C(F)C=C1 8527AE [0,1,0,0,0,0|2,0,0]=3 71 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 4708AF [0,1,0,0,0,0|3,0,0]=4 72 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 2650AE [0,1,0,0,0,0|2,0,1]=4 73 B13R1.132 NC(=O)CC(N)C1=CC=C(F)C=C1 9513AE [0,1,0,0,0,0|1,0,0]=2 74 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 7665AA [0,1,0,0,0,0|1,0,0]=2 75 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 X9801 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O Y5507 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 0111AE [0,1,0,0,0,0|3,0,0]=4 78 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O X6269 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O 8891AE [0,1,0,0,0,0|3,0,0]=4 80 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 7688AD [0,1,0,0,0,0|3,0,0]=4 81 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O V2122 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 5562AH [0,1,0,0,0,0|2,0,0]=3 83 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [0,1,0,0,0,0|1,0,0]=2 84 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [0,1,0,0,0,0|1,0,0]=2 85 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 X3493 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.164 CC1=C(OCC(=O)O)C=CC(Br)=C1 8298AE [0,1,0,0,0,0|3,0,0]=4 87 B13R1.164 CC1=CC(Br)=C(OCC(=O)O)C=C1 8414AD [0,1,0,0,0,0|3,0,0]=4 88 B13R1.164 CC1=CC=C(OCC(=O)O)C(Cl)=C1 8490AH [0,1,0,0,0,0|3,0,0]=4 89 B13R1.164 NC(=O)CCC1=CC=C(Br)C=C1F Z9673 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.164 O=C(O)CCC1=C(F)C=C(Cl)C=C1 9037AA [0,1,0,0,0,0|2,0,0]=3 91 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Cl 9537AE [0,1,0,0,0,0|3,0,0]=4 92 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1Br 9536AE [0,1,0,0,0,0|3,0,0]=4 93 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl 5268AB [0,1,0,0,0,0|3,0,0]=4 94 B13R1.511 CC(=O)CCC1=CC=C(O)C(O)=C1 W1951 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N 1957AJ [0,1,0,0,0,0|2,0,0]=3 96 B13R1.511 N=C(N)SCC1=CC=C(Cl)C(Cl)=C1 7777AD [0,1,0,0,0,0|3,0,0]=4 97 B13R1.511 NC(=O)\C=C\C1=CC=C(O)C(O)=C1 W2115 [0,1,0,0,0,0|0,0,2]=3 98 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 5105AC [0,1,0,0,0,0|1,0,0]=2 99 B13R1.511 O=C(O)COC1=CC(Cl)=C(F)C=C1 0415AE [0,1,0,0,0,0|3,0,0]=4 100 B13R1.511 O=C(O)COC1=CC(F)=C(F)C=C1 1806AE [0,1,0,0,0,0|3,0,0]=4 101 B13R1.512 O=S(=O)(Cl)CCC1=CC=C(F)C=C1 2744AE [0,1,0,0,0,0|3,0,0]=4 102 B13R1.512 O=S(=O)(O)CCC1=CC=C(F)C=C1 9512AE [0,1,0,0,0,0|3,0,0]=4 103 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 0786AD [0,0,0,1,0,0|3,0,0]=4 104 B13R2.155 NC1=CC2=C(C=C1)NCC(=O)N2 1975AB [0,0,0,1,0,0|2,0,0]=3 105 B13R2.155 NC1CCC2=C(C=C(Cl)C=C2)C1 9774AB [0,0,0,1,0,0|2,0,1]=4 106 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 3658AJ [0,0,0,1,0,0|2,0,1]=4 107 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 8854AB [0,0,0,1,0,0|2,0,1]=4 108 B13R2.155 O=C1CNC2=C(C=C(Cl)C=C2)N1 3072AL [0,0,0,1,0,0|2,0,0]=3 109 B13R2.155 O=C1CNC2=NC=C(I)C=C2N1 W9771 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 Z4519 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.155 O=C1COC2=C(N=C(Br)C=C2)N1 Y3278 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.155 O=C1COC2=NC=C(I)C=C2N1 0899AD [0,0,0,1,0,0|3,0,0]=4 113 B11R1.20 CC(=O)NC1=CC=C(O)C=N1 8000AA [0,0,0,0,1,0|3,0,0]=4 114 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 X5399 [0,0,0,0,1,0|3,0,0]=4 115 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.20 CC1=CC=C(N=C(N)N)C=C1 7745AB [0,0,0,0,1,0|3,0,0]=4 117 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [0,0,0,0,1,0|3,0,0]=4 118 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 6863AE [0,0,0,0,1,0|2,0,0]=3 119 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 W8749 [0,0,0,0,1,0|3,0,0]=4 120 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 6320AE [0,0,0,0,1,0|2,0,0]=3 121 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 0100AC [0,0,0,0,1,0|3,0,0]=4 122 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 1746AL [0,0,0,0,1,0|1,0,0]=2 123 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,0,0,0,1,0|1,0,0]=2 124 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 4488AD [0,0,0,0,1,0|1,1,0]=3 125 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 2203AE [0,0,0,0,1,0|3,0,0]=4 126 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 6322AB [0,0,0,0,1,0|3,0,0]=4 127 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,0,0,0,1,0|3,0,0]=4 128 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,0,0,0,1,0|3,0,0]=4 129 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 3963AE [0,0,0,0,1,0|2,0,1]=4 130 B11R1.75 NC(=O)CCN1C=C(Br)C=N1 0003AD [0,0,0,0,1,0|3,0,0]=4 131 B11R1.75 O=C(O)CCC1=CC(O)=NO1 9328AE [0,0,0,0,1,0|3,0,0]=4 132 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [0,0,0,0,0,1|2,0,0]=3 133 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 7053AE [0,0,0,0,0,1|2,0,0]=3 134 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 V7880 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 2788AF [0,0,0,0,0,1|2,0,0]=3 136 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 7427AE [0,0,0,0,0,1|2,0,0]=3 137 B10R1.1 C=CCC1=CC=C(C)C=C1 1127AQ [2,0,0,0,0,0|1,0,1]=4 138 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [2,0,0,0,0,0|1,0,1]=4 139 B10R1.1 CC1=CC=C(CNN)C=C1 8497AC [2,0,0,0,0,0|2,0,0]=4 140 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [2,0,0,0,0,0|1,0,1]=4 141 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [2,0,0,0,0,0|1,0,1]=4 142 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [2,0,0,0,0,0|1,0,1]=4 143 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [2,0,0,0,0,0|1,0,0]=3 144 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [2,0,0,0,0,0|2,0,0]=4 145 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [2,0,0,0,0,0|2,0,0]=4 146 B10R1.1 O=CNC1=CC=C(Br)C=C1 1242AQ [2,0,0,0,0,0|2,0,0]=4 147 B10R1.17 NCCCC1=CC=CC=N1 7820AA [2,0,0,0,0,0|1,0,1]=4 148 B10R1.17 NCCSC1=CC=CC=C1 6800AD [2,0,0,0,0,0|1,0,1]=4 149 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|1,0,0]=3 150 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [2,0,0,0,0,0|2,0,0]=4 151 B12R1.1 CC1=CC=C(OCCCN)C=C1 4537AE [1,1,0,0,0,0|1,0,1]=4 152 B12R1.1 NCCCOC1=CC=C(F)C=C1 Z7795 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.1 NCCNCC1=CC=C(F)C=C1 7048AD [1,1,0,0,0,0|1,0,1]=4 154 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 O745 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [1,1,0,0,0,0|0,0,2]=4 156 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.69 NCCCC1=C(Cl)C=C(F)C=C1 1956AE [1,1,0,0,0,0|1,0,1]=4 158 B12R1.69 NCCCC1=C(F)C=C(Cl)C=C1 1957AE [1,1,0,0,0,0|1,0,1]=4 159 B12R1.71 COC1=CC=C(CCC#N)C=C1 1339AB [1,1,0,0,0,0|0,0,2]=4 160 B12R1.71 COC1=CC=C(CCCN)C=C1 4617AB [1,1,0,0,0,0|0,0,1]=3 161 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 9379AB [1,1,0,0,0,0|2,0,0]=4 162 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [1,1,0,0,0,0|2,0,0]=4 164 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [1,1,0,0,0,0|2,0,0]=4 165 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [1,1,0,0,0,0|2,0,0]=4 166 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [1,1,0,0,0,0|2,0,0]=4 167 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [1,1,0,0,0,0|2,0,0]=4 168 B12R1.27 N\C(COC1=CC=CC=C1)=N/O 2638AF [1,1,0,0,0,0|1,0,1]=4 169 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [1,1,0,0,0,0|2,0,0]=4 170 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [1,1,0,0,0,0|1,0,0]=3 171 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [1,1,0,0,0,0|2,0,0]=4 172 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [1,1,0,0,0,0|2,0,0]=4 173 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [1,1,0,0,0,0|1,0,0]=3 174 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [1,1,0,0,0,0|2,0,0]=4 175 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 9377AA [1,1,0,0,0,0|2,0,0]=4 176 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [1,1,0,0,0,0|2,0,0]=4 177 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 4348AH [1,1,0,0,0,0|2,0,0]=4 178 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 4193AA [1,1,0,0,0,0|1,0,1]=4 180 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 V7228 [1,1,0,0,0,0|1,1,0]=4 181 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 7786AA [1,1,0,0,0,0|2,0,0]=4 182 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [1,1,0,0,0,0|1,0,0]=3 183 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [1,1,0,0,0,0|2,0,0]=4 184 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [1,1,0,0,0,0|2,0,0]=4 185 B12R1.125 O=C(O)CNC1=CC=CC=C1F W6767 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [1,1,0,0,0,0|1,0,0]=3 187 B12R1.226 NC(=O)C=CC1=CC(F)=CC=C1 0635AQ [1,1,0,0,0,0|0,0,2]=4 188 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [1,1,0,0,0,0|0,0,0]=2 189 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [1,1,0,0,0,0|1,0,0]=3 190 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 V3888 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [1,1,0,0,0,0|2,0,0]=4 192 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,1,0,0,1,0|2,0,0]=4 193 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 1126AQ [0,1,0,0,1,0|2,0,0]=4 194 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,1,0,0,1,0|2,0,0]=4 195 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 Z2397 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.4 COC1=CC=C(CC(=O)O)C=N1 V8890 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 0374AC [0,1,0,0,1,0|2,0,0]=4 198 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 X5525 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 X9403 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,1,0,0,1,0|2,0,0]=4 201 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,1,0,0,1,0|2,0,0]=4 202 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 2282AB [0,1,0,0,1,0|2,0,0]=4 203 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 4424AC [0,1,0,0,1,0|2,0,0]=4 204 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O 2074AE [0,1,0,0,1,0|1,0,0]=3 205 B12R1.19 NC1=CC=C(CC(=O)O)C=C1F Z4803 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.19 NC1=CC=C(CC(=O)O)C=C1I 3795AD [0,1,0,0,1,0|2,0,0]=4 207 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [0,1,0,0,1,0|1,0,0]=3 208 B12R1.20 CC(N)C(O)C1=CC=C(O)C=C1 V1268 [0,1,0,0,1,0|1,0,1]=4 209 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 V7421 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,1,0,0,1,0|2,0,0]=4 211 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,1,0,0,1,0|2,0,0]=4 212 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 Y6551 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 1179AQ [0,1,0,0,1,0|2,0,0]=4 214 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 Z5112 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.20 O=C([O-])C(O)C1=CC=C(O)C=C1 0691AC [0,1,0,0,1,0|1,0,0]=3 216 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 7376AE [0,1,0,0,1,0|2,0,0]=4 217 B12R1.106 O=P(O)(O)CC1=CC=C(O)C=C1 1141AQ [0,1,0,0,1,0|2,0,0]=4 218 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1Br 5576AA [0,1,0,0,1,0|2,0,0]=4 219 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 5009AH [0,1,0,0,1,0|1,0,0]=3 220 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 7933AB [0,1,0,0,0,1|2,0,0]=4 221 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 2318AL [0,1,0,0,0,1|1,0,0]=3 222 B14R1.13 CC1=CC=C(CCNC(=S)NN)C=C1 7025AD [0,1,0,0,0,1|1,1,0]=4 223 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 7002AJ [0,1,0,0,0,1|1,0,0]=3 224 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 2152AE [0,1,0,0,0,1|2,0,0]=4 225 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 2026AE [0,1,0,0,0,1|2,0,0]=4 226 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [0,1,0,0,0,1|1,0,0]=3 227 B14R1.687 CC1=C(F)C=CC(CCCC(=O)O)=C1 3795AB [0,1,0,0,0,1|2,0,0]=4 228 B14R1.687 O=C(O)CSCC1=CC(Cl)=C(Cl)C=C1 7426AE [0,1,0,0,0,1|2,0,0]=4 229 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [0,1,0,0,0,1|2,0,0]=4 230 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 Z5798 [0,1,0,0,0,1|2,0,0]=4 231 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 9946AC [0,2,0,0,0,0|2,0,0]=4 232 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 Z5633 [0,2,0,0,0,0|1,0,0]=3 233 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 3938AC [0,2,0,0,0,0|2,0,0]=4 234 B14R1.2 COC1=NC=C([C@H](N)CC(=O)O)C=C1 1053AC [0,2,0,0,0,0|2,0,0]=4 235 B14R1.2 N#CC1=CC=C(C(N)CC(=O)O)C=C1 2584AC [0,2,0,0,0,0|2,0,0]=4 236 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [0,2,0,0,0,0|2,0,0]=4 237 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [0,2,0,0,0,0|2,0,0]=4 238 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 1438AB [0,2,0,0,0,0|2,0,0]=4 239 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 1017AA [0,2,0,0,0,0|2,0,0]=4 240 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 E554 [0,2,0,0,0,0|2,0,0]=4 241 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4019AA [0,2,0,0,0,0|2,0,0]=4 242 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 1739AC [0,2,0,0,0,0|2,0,0]=4 243 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 X6538 [0,2,0,0,0,0|2,0,0]=4 244 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 Y5873 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 V7796 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.5 COC1=CC=C(OC\C(N)=N\O)C=C1 8131AE [0,2,0,0,0,0|1,0,1]=4 247 B14R1.103 COC1=CC(F)=C(CCC(=O)O)C=C1 3198AC [0,2,0,0,0,0|1,0,0]=3 248 B14R1.142 [N-]=[N+]=NC1=CC=C(CCC(=O)O)C=C1 5166AH [0,2,0,0,0,0|2,0,0]=4 249 B14R1.419 CC(=O)C1=CC=C(OCC(N)=O)C=C1 3036AE [0,2,0,0,0,0|1,0,1]=4 250 B14R1.419 CC(=O)NCC1=CC=C(C(=O)O)C=C1 X9431 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.419 CC(=O)OCC1=CC=C(B(O)O)C=C1 V5187 [0,2,0,0,0,0|2,0,0]=4 252 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 9039AC [0,2,0,0,0,0|2,0,0]=4 253 B14R1.419 NC(=O)COC1=CC=C(C(=O)O)C=C1 2497AL [0,2,0,0,0,0|1,0,0]=3 254 B14R1.419 O=C(O)COC1=CC=C(B(O)O)C=C1 X1534 [0,2,0,0,0,0|2,0,0]=4 255 B14R1.419 O=[N+]([O-])CCC1=CC=C(B(O)O)C=C1 V9641 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 7672AD [0,2,0,0,0,0|1,0,0]=3 257 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 6541AL [0,2,0,0,0,0|1,0,1]=4 258 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 Z2162 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.134 CC(OC1=CC=C(Br)C=C1)C(=O)NN 0257AE [0,2,0,0,0,0|2,0,0]=4 260 B14R1.134 CC(OC1=CC=C(F)C=C1)C(=O)NN 6279AE [0,2,0,0,0,0|2,0,0]=4 261 B14R1.134 CC1=CC=C(OC(C)C(=O)NN)C=C1 0336AF [0,2,0,0,0,0|2,0,0]=4 262 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(F)C=C1 9277AA [0,2,0,0,0,0|2,0,0]=4 263 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 6850AJ [0,2,0,0,0,0|2,0,0]=4 264 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 W9852 [0,2,0,0,0,0|2,0,0]=4 265 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 1044AC [0,2,0,0,0,0|2,0,0]=4 266 B14R1.727 CC1=CC=C(OCC(=O)NN)C(Br)=C1 6590AE [0,2,0,0,0,0|2,0,0]=4 267 B14R1.727 NNC(=O)COC1=C(Br)C=C(Br)C=C1 4212AD [0,2,0,0,0,0|2,0,0]=4 268 B14R1.727 NNC(=O)COC1=C(Br)C=C(Cl)C=C1 3752AE [0,2,0,0,0,0|2,0,0]=4 269 B14R1.727 NNC(=O)COC1=CC=C(Br)C=C1Cl 6196AE [0,2,0,0,0,0|2,0,0]=4 270 B14R1.727 NNC(=O)COC1=CC=C(F)C=C1Cl 5596AD [0,2,0,0,0,0|2,0,0]=4 271 B14R1.727 NNC(=O)COC1=CC=C(F)C=C1F 6176AE [0,2,0,0,0,0|2,0,0]=4 272 B14R1.833 CC1=C(C)C=C(OCC(=O)NN)C=C1 3150AD [0,2,0,0,0,0|2,0,0]=4 273 B14R1.833 CC1=CC=C(NCC(=O)NN)C=C1C 8015AD [0,2,0,0,0,0|2,0,0]=4 274 B14R1.833 NNC(=O)CCC1=CC=C(O)C(O)=C1 2623AE [0,2,0,0,0,0|0,0,0]=2 275 B14R1.833 NNC(=O)CNC1=CC=C(F)C(Cl)=C1 8014AD [0,2,0,0,0,0|2,0,0]=4 276 B14R1.833 NNC(=O)COC1=CC(Cl)=C(Cl)C=C1 0113AE [0,2,0,0,0,0|2,0,0]=4 277 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 1885AB [0,2,0,0,0,0|2,0,0]=4 278 B14R1.1019 NC[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 X3696 [0,2,0,0,0,0|2,0,0]=4 279 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 X6885 [0,2,0,0,0,0|2,0,0]=4 280 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 1505AC [0,2,0,0,0,0|2,0,0]=4 281 B14R1.6048 CC1=CC(C)=C(C(N)CC(=O)O)C=C1 9947AC [0,2,0,0,0,0|2,0,0]=4 282 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O Z5915 [0,2,0,0,0,0|1,0,0]=3 283 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O 1990AL [0,2,0,0,0,0|2,0,0]=4 284 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C 7003AA [0,2,0,0,0,0|2,0,0]=4 285 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 V0957 [0,2,0,0,0,0|1,0,0]=3 286 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O W8200 [0,2,0,0,0,0|1,0,0]=3 287 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 3551AB [0,2,0,0,0,0|2,0,0]=4 288 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8625AB [0,2,0,0,0,0|1,0,0]=3 289 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O 2401AB [0,2,0,0,0,0|2,0,0]=4 290 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O 0425AC [0,2,0,0,0,0|2,0,0]=4 291 B14R1.42 COC1=CC(\C=C\C(N)=O)=CC=C1O W2104 [0,2,0,0,0,0|0,0,2]=4 292 B14R1.15552 CC1=CC(CCC(=O)O)=CC(C)=C1O 5659AJ [0,2,0,0,0,0|1,0,0]=3 293 B14R1.15552 O=C(O)CCC1=CC(Br)=C(O)C(Br)=C1 4066AD [0,2,0,0,0,0|1,0,0]=3 294 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 X9095 [1,0,0,1,0,0|1,0,1]=4 295 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z5325 [1,0,0,1,0,0|1,0,1]=4 296 B12R2.24 NC1=CC2=C(C=C1)CCCN2 W3348 [1,0,0,1,0,0|1,0,1]=4 297 B12R2.24 OC1=CC2=C(C=C1)CCCN2 W7139 [1,0,0,1,0,0|0,0,1]=3 298 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 1156AJ [1,0,0,1,0,0|1,0,1]=4 299 B12R2.132 NC1CCC2=CC=C(Br)C=C21 3445AJ [1,0,0,1,0,0|1,0,1]=4 300 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3277AA [1,0,0,1,0,0|1,0,1]=4 301 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3497AJ [1,0,0,1,0,0|1,0,1]=4 302 B12R2.132 N[C@H]1CCC2=CC=C(Br)C=C21 9195AH [1,0,0,1,0,0|1,0,1]=4 303 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 W5443 [1,0,0,1,0,0|2,0,0]=4 304 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 0124AC [1,0,0,1,0,0|1,0,0]=3 305 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 8589AB [1,0,0,1,0,0|2,0,0]=4 306 B12R2.132 O=C1OCC2=CC=C(F)C=C12 1691AB [1,0,0,1,0,0|2,0,0]=4 307 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [1,0,0,1,0,0|0,0,0]=2 308 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [1,0,0,1,0,0|1,0,0]=3 309 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 X9359 [0,0,0,1,1,0|2,0,0]=4 310 B12R2.606 O=C1CC2=C(C=C(Cl)C=N2)N1 6528AA [0,0,0,1,1,0|2,0,0]=4 311 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 V2187 [0,0,0,1,1,0|2,0,0]=4 312 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 X6129 [0,0,0,1,1,0|2,0,0]=4 313 B12R2.606 O=C1CC2=CC=C(O)C=C2O1 W1997 [0,0,0,1,1,0|1,0,0]=3 314 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 0047AA [0,0,0,1,1,0|2,0,0]=4 315 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 X9354 [0,0,0,1,1,0|2,0,0]=4 316 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 2094AC [0,0,0,1,1,0|2,0,0]=4 317 B12R2.606 S=C1CC2=CC=C(Br)C=C2N1 3437AJ [0,0,0,1,1,0|1,1,0]=4 318 B14R2.134 N#CC1=CC2=C(C=C1)OCC(=O)N2 6262AA [0,1,0,1,0,0|2,0,0]=4 319 B14R2.4513 CN1C(=O)COC2=CC=C(Br)C=C21 V4603 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.29365 O=C1COC2=C(Br)C=C(F)C=C2N1 V7300 [0,1,0,1,0,0|2,0,0]=4 321 B14R2.29365 O=C1COC2=C(F)C=C(Br)C=C2N1 V6620 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.4529 O=C(O)C1CC2=CC(O)=CC=C2O1 2685AA [0,1,0,1,0,0|2,0,0]=4 323 B14R2.8239 CC1OC2=CC=C(Br)C=C2NC1=O 7580AD [0,1,0,1,0,0|2,0,0]=4 324 B14R2.8239 CC1OC2=CC=C(F)C=C2NC1=O V9182 [0,1,0,1,0,0|2,0,0]=4 325 B14R2.8239 O=C1COC2=CC(F)=C(Br)C=C2N1 V5457 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,0,0,0,1,0|2,0,0]=4 327 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,0,0,0,1,0|1,0,0]=3 328 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [1,0,0,0,1,0|2,0,0]=4 329 B10R1.18 NC(=S)CC1=CC=CC=C1 7353AE [1,0,0,0,1,0|0,1,0]=3 330 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,0,0,0,1,0|2,0,0]=4 331 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [1,0,0,0,1,0|2,0,0]=4 332 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [1,0,0,0,1,0|2,0,0]=4 333 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,0,0,0,2,0|2,0,0]=4 334 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,0,0,0,2,0|2,0,0]=4 335 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,0,0,0,2,0|1,0,1]=4 336 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,0,0,0,2,0|1,0,1]=4 337 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [0,0,0,0,2,0|2,0,0]=4 338 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [0,0,0,0,2,0|2,0,0]=4 339 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [0,0,0,0,2,0|2,0,0]=4 340 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,0,0,0,0,1|1,0,1]=4 341 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 4949AD [1,0,0,0,0,1|1,0,1]=4 342 B12R1.252 O=C(O)CCCC1=CC=CC=N1 0690AA [1,0,0,0,0,1|2,0,0]=4 343 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [1,0,0,0,0,1|2,0,0]=4 344 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [1,0,0,0,0,1|2,0,0]=4 345 B14R1.677 CC1=CC=C(CCCCC(=O)O)C=C1 5730AH [0,0,0,0,0,2|2,0,0]=4 346 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 9524AJ [0,0,0,0,0,2|2,0,0]=4