pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	Baltruschat ChEMBL	1	0	C[C@@H]1CCC[C@H](C)[NH+]1CCC[C@@](O)(c1ccccc1)c1ccccn1	C[C@@H]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1	mol17477	CC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccn1