0 B7R0.6 CC(O)\C=C\C(C)O 7517AF [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 NC(=O)\C=C/C(N)=O 8173AL [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 O=C(O)CCC(=O)O 9603AL [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 O=C(O)\C=C/C(=O)O O758 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.6 O=C(O)\N=N\C(=O)O 0987AP [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 O=C([O-])CCC(=O)O 7180AF [0,0,0,0,0,0|0,0,3]=3 6 B7R0.6 O=C([O-])CCC(=O)O V1664 [0,0,0,0,0,0|0,0,3]=3 7 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [0,0,0,0,0,0|0,0,4]=4 8 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [0,0,0,0,0,0|0,0,4]=4 9 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7135AF [0,0,0,0,0,0|0,0,2]=2 10 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7138AF [0,0,0,0,0,0|0,0,2]=2 11 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7139AF [0,0,0,0,0,0|0,0,2]=2 12 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [0,0,0,0,0,0|0,0,1]=1 13 B6R0.4 CC\C=C\C(C)=O Y8265 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 O=CNCC(=O)O Y4936 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.9 COC(=O)\C=C\N(C)C 7021AC [0,1,0,0,0,0|3,0,0]=4 16 B8R0.9 NCC(=O)CCC(=O)O 1451AA [0,1,0,0,0,0|1,0,2]=4 17 B8R0.9 NCC(=O)NCC(=O)O 7998AL [0,1,0,0,0,0|2,0,1]=4 18 B8R0.29 CC(C)(C)\C=C\C(=O)O 8272AE [0,1,0,0,0,0|2,0,1]=4 19 B8R1.3 CC1=CC=C(O)C=C1 7878AF [0,0,0,1,0,0|3,0,0]=4 20 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [0,0,0,0,1,0|2,0,1]=4 21 B6R0.2 C[C@H](O)CC(=O)O Z4946 [0,0,0,0,1,0|1,0,2]=4 22 B6R0.2 C\C(N)=C\C(N)=O 7954AA [0,0,0,0,1,0|3,0,0]=4 23 B6R0.2 O=C(Cl)CC(=O)Cl 8788AJ [0,0,0,0,1,0|2,0,1]=4 24 B8R0.28 CC(C)C\C=C\C(=O)O 0195AP [0,0,0,0,0,1|2,0,1]=4 25 B8R0.28 CN(C)C\C=C\C(=O)O 4625AF [0,0,0,0,0,1|3,0,0]=4 26 B8R0.28 O=C([O-])COCC(=O)O 7181AF [0,0,0,0,0,1|0,0,3]=4 27 B5R0.1 NC(=O)NC=O 6851AF [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 C=C\C=C\C=O Y1559 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.2 O=CCCC=O N715 [2,0,0,0,0,0|0,0,2]=4 30 B5R0.2 O\N=C\C=N\O 6850AF [2,0,0,0,0,0|2,0,0]=4 31 B7R0.3 CCC(=O)\C=C\C=O Z6191 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.3 CC\C=C\C(=O)OC Y2122 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.3 COC(=O)\C=C\C=O 1381AC [1,1,0,0,0,0|0,0,0]=2 34 B7R0.9 O=C(O)CS(=O)(=O)O 4477AA [0,1,0,0,1,0|1,0,1]=4 35 B7R0.9 O=C(O)CS(=O)(=O)O 6854AF [0,1,0,0,1,0|1,0,1]=4 36 B7R0.16 O=C(O)C(Cl)C(=O)O 8949AB [0,1,0,0,1,0|0,0,1]=3 37 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,1,0,0,0,1|0,0,2]=4 38 B9R0.7 O=C(O)CCC(=O)C(=O)O F772 [0,1,0,0,0,1|0,0,1]=3 39 B9R0.48 CCOC(=O)\C=C\C(=O)Cl V0861 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O 0587AP [0,2,0,0,0,0|0,0,2]=4 41 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O 0584AP [0,2,0,0,0,0|0,0,2]=4 42 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O 9397AB [0,2,0,0,0,0|0,0,2]=4 43 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 2589AH [0,2,0,0,0,0|0,0,2]=4 44 B9R0.57 C=C(OP(=O)(O)O)C(=O)O 7632AH [0,2,0,0,0,0|2,0,0]=4 45 B9R0.79 CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [0,2,0,0,0,0|0,0,2]=4 46 B9R0.79 NC(C(=O)O)C(N)C(=O)O E645 [0,2,0,0,0,0|0,0,2]=4 47 B9R0.79 NC(C(=O)O)C(N)C(=O)O Z5348 [0,2,0,0,0,0|0,0,2]=4 48 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 1525AB [0,2,0,0,0,0|0,0,2]=4 49 B9R0.79 O=C(O)C(=O)C(=O)C(=O)O 1774AC [0,2,0,0,0,0|0,0,0]=2 50 B9R0.79 O=C(O)C(O)C(O)C(=O)O V0484 [0,2,0,0,0,0|0,0,2]=4 51 B9R0.79 O=C(O)C(S)C(S)C(=O)O 9660AJ [0,2,0,0,0,0|0,0,2]=4 52 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7225AF [0,2,0,0,0,0|0,0,2]=4 53 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O 9097AB [0,2,0,0,0,0|0,0,2]=4 54 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 5598AL [0,2,0,0,0,0|0,0,2]=4 55 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O 7128AF [0,2,0,0,0,0|0,0,0]=2 56 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O 7160AF [0,2,0,0,0,0|0,0,0]=2 57 B7R1.2 C=C1C=CC(=O)O1 1661AA [1,0,0,1,0,0|1,0,0]=3 58 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 OC1=CC=CC=C1 8781AL [1,0,0,1,0,0|2,0,0]=4 60 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,0,0,1,0,1|2,0,0]=4 61 B9R1.35 NC1=NN=C(C(=O)O)O1 4279AE [0,0,0,1,0,1|2,0,0]=4 62 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,0,0,1,0,1|1,0,0]=3 63 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O 0769AC [0,0,0,1,0,1|0,0,2]=4 64 B9R1.69 O=C1NC(O)=CC=C1Cl 0905AA [0,1,0,1,0,0|2,0,0]=4 65 B9R1.69 O=C1NC=C(O)C(=O)N1 Z1836 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.69 OC1=NN=C(O)C(Cl)=C1 7729AB [0,1,0,1,0,0|2,0,0]=4 67 B5R0.5 O=C(O)C(=O)O 6148AH [0,0,0,0,2,0|0,0,0]=2 68 B5R0.5 O=C(O)C(=O)O 9022AJ [0,0,0,0,2,0|0,0,0]=2 69 B5R0.5 O=C([O-])C(=O)O 6896AF [0,0,0,0,2,0|0,0,1]=3 70 B5R0.5 O=C([O-])C(=O)O 6897AF [0,0,0,0,2,0|0,0,1]=3 71 B5R0.5 O=C([O-])C(=O)[O-] 6911AF [0,0,0,0,2,0|0,0,2]=4 72 B5R0.5 O=C([O-])C(=O)[O-] 6912AF [0,0,0,0,2,0|0,0,2]=4 73 B5R0.5 O=C([O-])C(=O)[O-] 6914AF [0,0,0,0,2,0|0,0,2]=4 74 B5R0.5 O=C([O-])C(=O)[O-] 9972AL [0,0,0,0,2,0|0,0,2]=4 75 B5R0.5 O=C([O-])C(=O)[O-] L963 [0,0,0,0,2,0|0,0,2]=4 76 B5R0.5 O=C([O-])C(=O)[O-] X6823 [0,0,0,0,2,0|0,0,2]=4 77 B5R0.5 O=C([O-])C(=O)[O-] Z1768 [0,0,0,0,2,0|0,0,2]=4