pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.64	IUPAC digitized pKa	0	-1	C=C(Br)C=C[C@]1(C(C)C)C(=O)N(CC[NH+]2CCOCC2)C(=O)N=C1[O-],C=C(Br)C=C[C@]1(C(C)C)C(=O)N(CCN2CCOCC2)C(=O)N=C1O	C=C(Br)C=C[C@]1(C(C)C)C(=O)N(CCN2CCOCC2)C(=O)N=C1[O-]	mol7146	C=C(Br)C=CC1(C(C)C)C(=O)N(CCN2CCOCC2)C(=O)N=C1O
4.98	IUPAC digitized pKa	1	0	C=C(Br)C=C[C@]1(C(C)C)C(=O)N(CC[NH+]2CCOCC2)C(=O)N=C1O	C=C(Br)C=C[C@]1(C(C)C)C(=O)N(CC[NH+]2CCOCC2)C(=O)N=C1[O-],C=C(Br)C=C[C@]1(C(C)C)C(=O)N(CCN2CCOCC2)C(=O)N=C1O	mol7146	C=C(Br)C=CC1(C(C)C)C(=O)N(CCN2CCOCC2)C(=O)N=C1O