0 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O S6106 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)I)O S6044 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O S1726 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O S6083 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O S4741 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O S4741 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S2401 [0,0,0,0,0,0|1,0,1]=2 7 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S2401 [0,0,0,0,0,0|1,0,1]=2 8 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S2401 [0,0,0,0,0,0|1,0,1]=2 9 B14R1.686 C1=CN(C=C(C1=O)O)CC(C(=O)O)N S7446 [0,0,0,0,0,0|1,0,1]=2 10 B14R1.686 C1=CN(C=C(C1=O)O)CC(C(=O)O)N S7446 [0,0,0,0,0,0|1,0,1]=2 11 B14R1.686 C1=CN(C=C(C1=O)O)CC(C(=O)O)N S7446 [0,0,0,0,0,0|1,0,1]=2 12 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl S4586 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl S4586 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S4608 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S4608 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N S6061 [1,0,0,0,0,0|0,0,0]=1 17 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O S2277 [1,0,0,0,0,0|0,0,2]=3 18 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O S6338 [1,0,0,0,0,0|0,0,0]=1 19 B15R1.676 C1=CC(=C(C=C1C=C(C#N)C(=O)O)O)O S0324 [0,1,0,0,0,0|0,0,3]=4 20 B15R1.676 C1=CC(=C(C=C1C=C(C#N)C(=O)O)O)O S0324 [0,1,0,0,0,0|0,0,3]=4 21 B15R1.890 C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O S3041 [0,1,0,0,0,0|0,0,0]=1 22 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N S1642 [0,1,0,0,0,0|0,0,0]=1 23 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N S3958 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S4759 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S9564 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N S4153 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6271 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6326 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O S5586 [2,0,0,0,0,0|0,0,2]=4 33 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O S6074 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O S5639 [2,0,0,0,0,0|1,0,1]=4 35 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N S5797 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N S5797 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC S2371 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O S2300 [1,1,0,0,0,0|0,0,2]=4 39 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O S2300 [1,1,0,0,0,0|0,0,2]=4 40 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O S2300 [1,1,0,0,0,0|0,0,2]=4 41 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O S5135 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O S3764 [1,1,0,0,0,0|0,0,2]=4 43 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O S3764 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O S6613 [0,1,0,0,1,0|1,0,0]=3 45 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O S6613 [0,1,0,0,1,0|1,0,0]=3 46 B16R1.94545 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN S1891 [0,2,0,0,0,0|0,0,0]=2 47 B16R1.94545 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN S1891 [0,2,0,0,0,0|0,0,0]=2 48 B16R1.94545 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN S1891 [0,2,0,0,0,0|0,0,0]=2 49 B16R1.94545 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN S5448 [0,2,0,0,0,0|0,0,0]=2 50 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O S2554 [1,0,0,1,0,0|0,0,2]=4 51 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O S2554 [1,0,0,1,0,0|0,0,2]=4 52 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O S2554 [1,0,0,1,0,0|0,0,2]=4 53 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O S2554 [1,0,0,1,0,0|0,0,2]=4 54 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O S3848 [1,0,0,0,0,1|1,0,0]=3 55 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O S3848 [1,0,0,0,0,1|1,0,0]=3