CC1(C)SCN[C@@H]1C(=O)O    mol7578    0_1
CC1(C)SC[NH2+][C@@H]1C(=O)[O-]    mol7578    0_2
CC1(C)SC[NH2+][C@@H]1C(=O)O    mol7578    1_1
CC1(C)SCN[C@@H]1C(=O)[O-]    mol7578    -1_1