pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Datawarrior	1	0	Cc1ccc(NCC[NH2+]c2ccc(C)cc2)cc1	Cc1ccc(NCCNc2ccc(C)cc2)cc1	mol14917	Cc1ccc(NCCNc2ccc(C)cc2)cc1
2.7	Datawarrior	2	1	Cc1ccc([NH2+]CC[NH2+]c2ccc(C)cc2)cc1	Cc1ccc(NCC[NH2+]c2ccc(C)cc2)cc1	mol14917	Cc1ccc(NCCNc2ccc(C)cc2)cc1
3.3499999	OCHEM	2	1	Cc1ccc([NH2+]CC[NH2+]c2ccc(C)cc2)cc1	Cc1ccc(NCC[NH2+]c2ccc(C)cc2)cc1	mol14917	Cc1ccc(NCCNc2ccc(C)cc2)cc1