0 B8R0.23 CC(CC(=O)Cl)C(=O)Cl E091 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] U199 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] V1608 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] R742 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 O=C([O-])CC(O)C(=O)[O-] 7157AF [0,0,0,0,0,0|4,0,0]=4 5 B7R0.5 CCCC(O)C(C)=O X3438 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.6 O=C(O)CCC(=O)O 9603AL [1,0,0,0,0,0|3,0,0]=4 7 B7R0.6 O=C([O-])CCC(=O)O 7180AF [1,0,0,0,0,0|3,0,0]=4 8 B7R0.6 O=C([O-])CCC(=O)O V1664 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [1,0,0,0,0,0|3,0,0]=4 10 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O 0587AP [0,1,0,0,0,0|3,0,0]=4 12 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O 0584AP [0,1,0,0,0,0|3,0,0]=4 13 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O 9397AB [0,1,0,0,0,0|3,0,0]=4 14 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] 0074AP [0,1,0,0,0,0|2,0,0]=3 15 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 2589AH [0,1,0,0,0,0|3,0,0]=4 16 B9R0.79 CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 O=C1CN[C@H](C(=O)O)C1 6009AB [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 O=C1CN[C@H](C(=O)O)C1 8316AF [0,0,0,1,0,0|3,0,0]=4 19 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O 0769AC [0,0,0,1,0,0|3,0,0]=4 20 B7R0.16 O=C(O)C(Cl)C(=O)O 8949AB [0,0,0,0,1,0|3,0,0]=4 21 B9R0.7 CC(=O)N(C)CCC(=O)O 6114AE [0,0,0,0,0,1|3,0,0]=4 22 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,0,0,0,0,1|3,0,0]=4 23 B6R0.1 C\C=C\C(C)CC 6598AL [2,0,0,0,0,0|1,0,1]=4 24 B6R0.2 CC(C)CC(=O)Cl V2138 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.2 CC(C)CC(=O)[O-] 7399AF [2,0,0,0,0,0|2,0,0]=4 26 B6R0.2 CC(C)CC(=O)[O-] 7400AF [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 O=CNCC(=O)O Y4936 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.3 C=C(C)C(C)CC 7776AF [2,0,0,0,0,0|1,0,1]=4 29 B6R0.3 CC[C@H](C)C(=O)O Z9667 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.5 CCCC(C)OC(C)=O 1658AL [1,1,0,0,0,0|0,0,1]=3 31 B8R0.3 CCNC(C)C(=O)OC 4206AJ [1,1,0,0,0,0|1,0,1]=4 32 B8R0.9 CC(=O)OCC(O)CO 7324AF [1,1,0,0,0,0|0,0,2]=4 33 B8R0.9 CCC(C)COC(C)=O 1426AQ [1,1,0,0,0,0|1,0,1]=4 34 B8R0.9 NCC(=O)CCC(=O)O 1451AA [1,1,0,0,0,0|2,0,0]=4 35 B8R0.9 NCC(=O)NCC(=O)O 7998AL [1,1,0,0,0,0|2,0,0]=4 36 B8R0.37 CC(=O)C(C)(C)C(C)=O 0230AP [0,1,0,0,1,0|0,0,0]=2 37 B10R0.44 COC(=O)\C=C(\C)NC(C)=O Z3464 [0,1,0,0,0,1|1,0,1]=4 38 B10R0.70 C=CC(OC(C)=O)OC(C)=O 7758AF [0,1,0,0,0,1|0,0,1]=3 39 B10R0.162 CC(=O)CN(C(C)=O)C(C)=O 4795AE [0,2,0,0,0,0|2,0,0]=4 40 B8R1.18 CC1=NC(C)OC1C L046 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.18 C[C@H]1NC(=O)NC1=O 2120AH [1,0,0,1,0,0|2,0,0]=4 42 B8R1.7 CC(=O)C1CCCN1 1442AJ [1,0,0,1,0,0|1,0,1]=4 43 B10R1.349 CC(=O)N1CC(C(=O)O)C1 4571AF [0,0,0,1,0,1|2,0,0]=4 44 B10R1.470 O=C1CC(O)(C(=O)O)CO1 0234AP [0,0,0,1,0,1|2,0,0]=4 45 B10R1.64 CC(=O)NC1CCSC1=O R109 [0,1,0,1,0,0|1,0,0]=3 46 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 9958AB [0,1,0,1,0,0|2,0,0]=4 47 B10R1.118 CN1CC(=O)N(C)CC1=O 7466AF [0,1,0,1,0,0|2,0,0]=4 48 B8R0.28 CC(=O)O[Cd]OC(C)=O 7189AF [1,0,0,0,0,1|1,0,0]=3 49 B8R0.28 CC(=O)O[Mn]OC(C)=O 7196AF [1,0,0,0,0,1|1,0,0]=3 50 B8R0.28 CC(=O)O[Ru]OC(C)=O 8426AJ [1,0,0,0,0,1|1,0,0]=3 51 B8R0.28 CC(=O)O[Sn]OC(C)=O 7221AF [1,0,0,0,0,1|1,0,0]=3 52 B8R0.28 O=C([O-])COCC(=O)O 7181AF [1,0,0,0,0,1|2,0,0]=4