pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Novartis	1	0	Cc1cc(C)nc([NH+]2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1,Cc1cc(C)nc(N2CCC3(CCCN(Cc4ccccc4-c4[nH+]c(C)no4)C3=O)CC2)n1,Cc1cc(C)[nH+]c(N2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1	Cc1cc(C)nc(N2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1	mol2900	Cc1cc(C)nc(N2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1