pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.96	Baltruschat ChEMBL	1	0	N#CCC(=O)N1CCC[C@@H](n2nnc3c[nH+]c4[nH]ccc4c32)C1,N#CCC(=O)N1CCC[C@@H](n2n[nH+]c3cnc4[nH]ccc4c32)C1,N#CCC(=O)N1CCC[C@@H](n2[nH+]nc3cnc4[nH]ccc4c32)C1	N#CCC(=O)N1CCC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1	mol20924	N#CCC(=O)N1CCC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1