pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.76	OCHEM	1	0	N#Cc1ccc2c(c1)N(CCC[NH+]1CCC(O)CC1)c1ccccc1S2	N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2	mol16565	N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
8.5	Baltruschat ChEMBL	1	0	N#Cc1ccc2c(c1)N(CCC[NH+]1CCC(O)CC1)c1ccccc1S2	N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2	mol16565	N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2