0 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 CC(=O)CC(C(=O)O)N A2Z00050345 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.29 CS(=O)(=O)CCC(=O)O A2Z00048020 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.29 CS(=O)(=O)NCC(=O)O A2Z00046378 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.2 C(C(=O)N)[N+](=O)[O-] A2Z00096710 [0,0,0,0,1,0|2,0,1]=4 12 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,0,0,0,1,0|0,0,0]=1 13 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,0,0,0,0,1|1,0,0]=2 14 B5R0.1 C(C#N)C(=O)O A2Z00093469 [2,0,0,0,0,0|1,0,1]=4 15 B5R0.1 C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.1 CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|0,0,1]=3 18 B5R0.1 CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|1,0,1]=4 19 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.3 COC(=O)CCCCl A2Z00098035 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.3 COC(=O)CNC=O A2Z00096713 [1,1,0,0,0,0|1,0,0]=3 22 B7R0.3 COCCC(=O)OC A2Z00094834 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [1,1,0,0,0,0|0,1,1]=4 24 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.4 C=CCSCC(=O)O A2Z00097871 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.4 CC(=O)NCCCO A2Z00061529 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,1,0,0,0,0|0,1,1]=4 28 B9R0.1 C(CC(=O)CN)CC(=O)O A2Z00050332 [0,1,0,0,0,1|1,0,0]=3 29 B9R0.1 COC(=O)CCCC(=O)Cl A2Z00094387 [0,1,0,0,0,1|1,0,0]=3 30 B9R0.1 COC(=O)CCC[N+](=O)[O-] A2Z00096316 [0,1,0,0,0,1|1,0,1]=4 31 B9R0.1 COC(=O)CCNC(=O)N A2Z00050193 [0,1,0,0,0,1|1,0,0]=3 32 B9R0.7 CC(CNC(=O)N)C(=O)O A2Z00049561 [0,1,0,0,0,1|1,0,0]=3 33 B9R0.53 C(C(=O)O)N(CC(=O)O)N A2Z00049600 [0,1,0,0,0,1|0,0,0]=2 34 B9R0.56 CS(=O)(=O)CCCC(=O)O A2Z00070145 [0,1,0,0,0,1|1,0,1]=4 35 B9R0.56 CS(=O)(=O)NCCC(=O)O A2Z00046393 [0,1,0,0,0,1|1,0,1]=4 36 B9R0.21 COC(=O)CCS(=O)(=O)Cl A2Z00039977 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.24 COC(=O)C#CC(=O)OC A2Z00096096 [0,2,0,0,0,0|0,0,2]=4 38 B9R0.24 COC(=O)CCC(=O)CBr A2Z00049450 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.24 COC(=O)CCC(=O)CN A2Z00096232 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.42 CC(=O)C(CC(=O)OC)Br A2Z00094754 [0,2,0,0,0,0|1,0,0]=3 41 B9R0.42 CCC(=O)CC(C(=O)O)N A2Z00096363 [0,2,0,0,0,0|1,0,0]=3 42 B9R0.42 COC(=O)CC(C(=O)O)N A2Z00070351 [0,2,0,0,0,0|0,0,0]=2 43 B9R0.39 C(C(CN)C(=O)O)C(=O)O A2Z00096527 [0,2,0,0,0,0|0,0,0]=2 44 B9R0.79 CC(C(C(=O)O)O)C(=O)O A2Z00049599 [0,2,0,0,0,0|0,0,0]=2 45 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.2 C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|0,0,1]=3 48 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.35 C1C(CNC1=O)C(=O)N A2Z00050382 [0,0,0,1,0,1|2,0,0]=4 50 B9R1.35 C1C(NNC1=O)C(=O)O A2Z00050207 [0,0,0,1,0,1|2,0,0]=4 51 B9R1.161 C1[C@@H]([C@H]1C(=O)O)C(=O)O A2Z00096513 [0,0,0,1,0,1|0,0,0]=2