pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Baltruschat ChEMBL	1	0	CCc1cccc(C)c1C[NH2+]c1cc(C(N)=O)cn2c(C)c(C)nc12,CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)[nH+]c12	CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12	mol19473	CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12
6.09999990463257	QSARToolbox	1	0	CCc1cccc(C)c1C[NH2+]c1cc(C(N)=O)cn2c(C)c(C)nc12,CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)[nH+]c12	CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12	mol19473	CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12