pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	1	0	N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)Cc1ccc(O)cc1	N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)Cc1ccc([O-])cc1,N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Cc1ccc(O)cc1	mol17517	N#Cc1ccccc1OCC(O)CNCCNC(=O)Cc1ccc(O)cc1