pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	Baltruschat ChEMBL	2	1	O=C1CCCc2[nH+]c3c(ccn4cc[nH+]c34)cc21	O=C1CCCc2[nH+]c3c(ccn4ccnc34)cc21,O=C1CCCc2nc3c(ccn4cc[nH+]c34)cc21	mol17985	O=C1CCCc2nc3c(ccn4ccnc34)cc21