pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	0	-1	C=CC[NH2+]CCCCCCCCCCC(=O)[O-]	C=CCNCCCCCCCCCCC(=O)[O-]	mol15127	C=CCNCCCCCCCCCCC(=O)O
9.3000002	OCHEM	0	-1	C=CC[NH2+]CCCCCCCCCCC(=O)[O-]	C=CCNCCCCCCCCCCC(=O)[O-]	mol15127	C=CCNCCCCCCCCCCC(=O)O
4.7	Datawarrior	1	0	C=CC[NH2+]CCCCCCCCCCC(=O)O	C=CC[NH2+]CCCCCCCCCCC(=O)[O-]	mol15127	C=CCNCCCCCCCCCCC(=O)O
4.6999998	OCHEM	1	0	C=CC[NH2+]CCCCCCCCCCC(=O)O	C=CC[NH2+]CCCCCCCCCCC(=O)[O-]	mol15127	C=CCNCCCCCCCCCCC(=O)O