pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	OCHEM	0	-1	Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1	Cc1cccc(-n2ncc(C(=O)[N-]c3nccs3)c2C2CCNCC2)c1	mol402	Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1
10.5	OCHEM	0	-1	Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1	Cc1cccc(-n2ncc(C(=O)[N-]c3nccs3)c2C2CCNCC2)c1	mol402	Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1
10.0	AvLiLuMoVe	0	-1	Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1	Cc1cccc(-n2ncc(C(=O)[N-]c3nccs3)c2C2CCNCC2)c1	mol402	Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1