0 B7R0.9 CC(=O)CC(C)(C)N TMA2536 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.9 CC(C)(O)CC(O)=O T0613 [0,0,0,0,0,0|1,1,1]=3 2 B7R0.9 CC(O)CC(C)(C)O T0763 [0,0,0,0,0,0|0,1,0]=1 3 B7R0.9 C[N+](C)(C)CC(O)=O T0019 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(C)CC(N)=O T0361 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.2 CC(C)CC(O)=O T5609 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.2 CC(CC(O)=O)N TN6756 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 CC(O)CC(O)=O T4947 [1,0,0,0,0,0|1,1,1]=4 8 B6R0.2 CN(C)CC(O)=O T4120 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 C[C@@H](O)CC(O)=O T5248 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.2 C[C@H](O)CC(O)=O T13979 [1,0,0,0,0,0|1,1,1]=4 11 B6R0.5 C[N+](C)(C)CCCl T20738 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.5 C[N+](C)(C)CCI T32172 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.5 C[N+](C)(C)CCO T1039 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.5 C[N+](C)(C)CCO T14341 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.5 C[N+](C)(C)CCO T8734 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.24 CP(O)(=O)C[C@H](O)CN T26991 [0,1,0,0,0,0|2,1,0]=4 17 B8R0.27 CC(C)(O)C(O)C(O)=O T50050 [0,1,0,0,0,0|1,1,1]=4 18 B8R0.27 CC(C)(S)C(N)C(O)=O T0983L [0,1,0,0,0,0|1,0,1]=3 19 B8R0.27 CC(C)(S)[C@@H](N)C(O)=O T0983 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.27 CC(C)(S)[C@H](N)C(O)=O T20118 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.7 CC(C)(N)C(O)=O T4831 [0,0,0,0,1,0|2,0,1]=4 22 B6R0.7 CC(C)(O)C(O)=O T4787 [0,0,0,0,1,0|1,1,1]=4 23 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|0,0,2]=4 24 B5R0.1 CC(C)C=NO T4930 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 C[C@@H](CCO)O T9257 [2,0,0,0,0,0|0,1,0]=3 26 B5R0.1 C[C@@H](O)CCO T19538 [2,0,0,0,0,0|0,1,0]=3 27 B7R0.2 CC(C)C[C@H](N)C=O T25675 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.2 CCC(C)CC(O)=O T19122 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.16 CC(C)C(O)C(O)=O T5273 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.16 NC(C(C)C)C(O)=O T9294 [1,1,0,0,0,0|1,0,1]=4 34 B9R0.77 CC(C)(C)/N=N/C(C)(C)O T32920 [0,1,0,0,0,1|2,0,0]=4 35 B5R0.5 CC(O)C(C)O T19094 [1,0,0,0,1,0|0,1,0]=3 36 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [1,0,0,0,1,0|0,1,0]=3 37 B7R0.6 CC(C)CCC(O)=O T19138 [1,0,0,0,0,1|1,0,1]=4 38 B9R0.56 CC(N)CCCC(C)(C)O T0045 [0,0,0,0,0,2|1,1,0]=4