pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.41	Hunt	1	0	C[C@@H]1CCCC[NH+]1[C@@H](C)C=C(c1cccs1)c1cccs1	C[C@@H]1CCCCN1[C@@H](C)C=C(c1cccs1)c1cccs1	mol1249	C[C@@H]1CCCCN1[C@@H](C)C=C(c1cccs1)c1cccs1