pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Datawarrior	2	1	C[NH+](C)CCCNc1c2ccccc2[nH+]c2c(Cl)ccc([N+](=O)[O-])c12,C[NH+](C)CCC[NH2+]c1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c12	CN(C)CCC[NH2+]c1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c12,C[NH+](C)CCCNc1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c12	mol15330	CN(C)CCCNc1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c12