0 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.9 O=C(O)CP(=O)(O)O DB02823 [0,0,0,0,0,0|3,1,0]=4 3 B6R0.2 CC(=O)CC(=O)O DB01762 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(C)CC(=O)O DB03750 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.2 CN(C)CC(=O)O DB02083 [1,0,0,0,0,0|0,0,1]=2 6 B6R0.2 NC(=O)CC(=O)O DB02649 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.2 O=C(O)CC(=O)O DB02175 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.5 CC(C)(C)OC=O DB02768 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.5 C[N+](C)(C)CC=O DB04401 [1,0,0,0,0,0|0,0,0]=1 10 B6R0.5 C[N+](C)(C)CCS DB01803 [1,0,0,0,0,0|0,1,1]=3 11 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,0,0,0,1,0|2,0,0]=3 12 B5R0.1 CC(C)CCO DB02296 [2,0,0,0,0,0|1,0,1]=4 13 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|1,0,0]=3 14 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|2,0,0]=4 15 B5R0.1 CN(C)CCO DB13352 [2,0,0,0,0,0|0,0,2]=4 16 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4 17 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.1 NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.4 CC[Si](C)(C)C DB02265 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [1,1,0,0,0,0|0,0,1]=3 30 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,1,0,0,1,0|2,0,0]=4 32 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C DB01949 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.32 CC(C)(CO)C(=O)C(=O)O DB03795 [0,2,0,0,0,0|1,0,1]=4 34 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] DB01930 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O DB03675 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.58 C[C@@](O)(CCO)CC(=O)O DB03518 [0,2,0,0,0,0|2,0,0]=4 37 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,0,0,1,1,0|2,0,0]=4 38 B5R0.5 CC(C)C(=O)O DB02531 [1,0,0,0,1,0|1,0,0]=3 39 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,0,0,0,1,0|2,0,0]=4 40 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,0,0,0,1,0|2,0,0]=4 41 B7R0.6 CC(=O)CCC(=O)O DB02239 [1,0,0,0,0,1|2,0,0]=4 42 B7R0.6 CC(=O)NCC(=O)O DB02713 [1,0,0,0,0,1|2,0,0]=4 43 B7R0.6 CC(C)CCC(=O)O DB03993 [1,0,0,0,0,1|1,0,0]=3