pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.6	Baltruschat ChEMBL	1	0	N#Cc1ccc(-c2[nH+][nH]c3c2Cc2ccc(OCCCc4cccs4)cc2-3)cn1,N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCc4cccs4)cc2-3)c[nH+]1	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCc4cccs4)cc2-3)cn1	mol19075	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCc4cccs4)cc2-3)cn1