pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.47	OCHEM	1	0	C[C@@H](C=C(c1cccs1)c1cccs1)[NH+]1CCCC(=O)CCC1	C[C@@H](C=C(c1cccs1)c1cccs1)N1CCCC(=O)CCC1	mol33189	CC(C=C(c1cccs1)c1cccs1)N1CCCC(=O)CCC1
7.46999979019165	QSARToolbox	1	0	C[C@@H](C=C(c1cccs1)c1cccs1)[NH+]1CCCC(=O)CCC1	C[C@@H](C=C(c1cccs1)c1cccs1)N1CCCC(=O)CCC1	mol33189	CC(C=C(c1cccs1)c1cccs1)N1CCCC(=O)CCC1