pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.59	Baltruschat ChEMBL	2	1	C[NH+](C)CCNC(=O)c1cccc2c([NH3+])c3cccc([N+](=O)[O-])c3nc12,C[NH+](C)CCNC(=O)c1cccc2c(N)c3cccc([N+](=O)[O-])c3[nH+]c12	CN(C)CCNC(=O)c1cccc2c([NH3+])c3cccc([N+](=O)[O-])c3nc12,C[NH+](C)CCNC(=O)c1cccc2c(N)c3cccc([N+](=O)[O-])c3nc12,CN(C)CCNC(=O)c1cccc2c(N)c3cccc([N+](=O)[O-])c3[nH+]c12	mol17553	CN(C)CCNC(=O)c1cccc2c(N)c3cccc([N+](=O)[O-])c3nc12