0 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,0,0,0,0,0|1,1,0]=2 1 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,0,0,0,0,0|0,1,0]=1 2 B6R0.3 CC(CO)[N+](=O)[O-] A2Z00048273 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.1 C(C#N)C(=O)N A2Z00096074 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.10 COC(=O)C(CO)N A2Z00085507 [0,1,0,0,0,0|0,1,0]=2 18 B7R0.10 COC(=O)C(CS)N A2Z00096121 [0,1,0,0,0,0|0,0,0]=1 19 B7R0.13 CC(C)(CN)C(=O)N A2Z00094796 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.4 C1CC(C(C1)O)N A2Z00095968 [0,0,0,1,0,0|2,0,1]=4 22 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,0,0,0,0,1|2,1,0]=4 23 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,0,0,0,0,1|1,0,0]=2 24 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,1,0]=4 26 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 C[C@@H](CO)N A2Z00045067 [2,0,0,0,0,0|0,0,1]=3 29 B4R0.2 C(CS)C#N A2Z00070143 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.1 COC(=O)CCS A2Z00096087 [1,1,0,0,0,0|0,0,0]=2 31 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [1,1,0,0,0,0|0,1,1]=4 33 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.7 C(=O)(C(F)(F)F)O A2Z00096362 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.7 CC(C)(C(=O)N)Br A2Z00070347 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.16 C(C(CN)CO)C(=O)O A2Z00050494 [0,1,0,0,0,1|0,1,0]=3 39 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [0,1,0,0,0,1|1,0,0]=3 40 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [0,1,0,0,0,1|1,0,0]=3 41 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,1|2,0,0]=4 42 B8R0.3 CCOC(=O)C(C)CCl A2Z00095050 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.8 CC(C(=O)O)OCCN A2Z00070299 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,2,0,0,0,0|0,0,0]=2 45 B8R0.36 CCC(C)(C(=O)O)OC A2Z00050183 [0,2,0,0,0,0|2,0,0]=4 46 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|1,0,0]=3 48 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,0,0,1,0,1|1,1,0]=4 52 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.54 CC(C1CC1)C(=O)O A2Z00047916 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.78 CC1(COC1)C(=O)O A2Z00096242 [0,1,0,1,0,0|1,1,0]=4