pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)/C=C/C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)cn2C)cn1C	CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)/C=C/C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)cn2C)cn1C	mol20377	CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)/C=C/C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)cn2C)cn1C