pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.75	Baltruschat ChEMBL	2	1	C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c(-c1ccccc1)c1ccccc12	C[NH+](C)CCNC(=O)c1cccc2c1nc(-c1ccccc1)c1ccccc12,CN(C)CCNC(=O)c1cccc2c1[nH+]c(-c1ccccc1)c1ccccc12	mol20240	CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1)c1ccccc12