0 B14R1.686 CC(CC1=CC(O)=C(O)C=C1)C(=O)O 4694538 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O 1048447 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 1048533 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O 1048440 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O 7119571919 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O 5009040 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 1781592 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 11186702 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 1782225 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 4039478 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 1368335 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.148 CC(OC1=CC(N)=CC=C1)C(=O)O 1314461 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O 11186706 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O 2886961 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl 7215660013 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C 1506538 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C 7210540030 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Cl)C=C1 7018768048 [1,0,0,0,0,0|2,0,0]=3 18 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1 11185989 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.28955 N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)O 0107620010 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 1043599 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.21 CC1=CC=C(CCC(=O)Cl)C=C1 1375493 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 7018760318 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 0123400643 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.21 CC1=CC=[N+](CCC(=O)O)C=C1 1264870 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 1509953 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 6923424 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 O=C(O)C#CC1=CC=C(O)C=C1 7849251 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 7018930011 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 7020400396 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 0110520182 [2,0,0,0,0,0|0,0,0]=2 31 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 7020350504 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 7119850499 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 7020661302 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 7016233986 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 11185334 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 1048435 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 7119571874 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 6849730 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 1780058 [2,0,0,0,0,0|0,0,0]=2 40 B12R1.226 CC(=O)CCC1=CC(Cl)=CC=C1 1974704 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 2084084 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.226 O=C(O)C#CC1=CC(O)=CC=C1 7849238 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 7020400394 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 1310637 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 7020400392 [2,0,0,0,0,0|0,0,0]=2 46 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 7210540021 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 12482597 [2,0,0,0,0,0|1,0,1]=4 48 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(F)C=C1 11186642 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 11186701 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.75 COC1=CC=CC(OC(C)C(=O)O)=C1 7020390512 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.135 COC(=O)C(N)CC1=CC(F)=CC=C1 11186707 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.542 CCC(CC1=CC(O)=CC=C1)C(=O)O 3357060 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.4474 O=C(O)C(Cl)CC1=CC(Cl)=CC=C1Cl 1512974 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O 7016261120 [1,1,0,0,0,0|0,0,2]=4 55 B14R1.833 COC(=O)CCC1=CC=C(C)C(C)=C1 4342637 [1,1,0,0,0,0|2,0,0]=4 56 B16R1.94545 CC(CC1=CC(O)=C(O)C=C1)(NN)C(=O)O 3358572 [0,2,0,0,0,0|0,0,0]=2 57 B16R1.4274 COC1=C(OC)C=C(CC(C)C(=O)O)C=C1 1048455 [0,2,0,0,0,0|1,0,0]=3 58 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 1179687 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.4529 O=C(O)C1CC2=CC=C(Br)C=C2C1 3929775 [1,0,0,1,0,0|2,0,0]=4 60 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 1201974 [1,0,0,0,1,0|2,0,0]=4 61 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 1499794 [1,0,0,0,1,0|2,0,0]=4 62 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 1201967 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.20 O=C(O)C(Cl)C1=CC=C(Cl)C=C1 1787757 [1,0,0,0,1,0|2,0,0]=4 64 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F 1043362 [1,0,0,0,0,1|2,0,0]=4 65 B14R1.687 CC1=CC=C(CCCC(=O)O)C=C1Br 3548050 [1,0,0,0,0,1|2,0,0]=4 66 B14R1.687 CC1=CC=C(CCCC(=O)O)C=C1C 1043355 [1,0,0,0,0,1|2,0,0]=4