pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4899997711182	QSARToolbox	1	0	NCCNCCNCCNCCNCC[NH2+]Cc1cccc2ccccc12,NCCNCC[NH2+]CCNCCNCCNCc1cccc2ccccc12,NCCNCCNCC[NH2+]CCNCCNCc1cccc2ccccc12,NCC[NH2+]CCNCCNCCNCCNCc1cccc2ccccc12,[NH3+]CCNCCNCCNCCNCCNCc1cccc2ccccc12,NCCNCCNCCNCC[NH2+]CCNCc1cccc2ccccc12	NCCNCCNCCNCCNCCNCc1cccc2ccccc12	mol35265	NCCNCCNCCNCCNCCNCc1cccc2ccccc12