pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.8	Datawarrior	0	-1	CN(C)c1cccc2c(S(=O)(=O)NCCN3CCNCCNCCNCC3)cccc12	CN(C)c1cccc2c(S(=O)(=O)[N-]CCN3CCNCCNCCNCC3)cccc12	mol14424	CN(C)c1cccc2c(S(=O)(=O)NCCN3CCNCCNCCNCC3)cccc12
4.03000020980835	QSARToolbox	4	3	CN(C)c1cccc2c(S(=O)(=O)NCC[NH+]3CC[NH2+]CC[NH2+]CC[NH2+]CC3)cccc12,C[NH+](C)c1cccc2c(S(=O)(=O)NCC[NH+]3CCNCC[NH2+]CC[NH2+]CC3)cccc12	CN(C)c1cccc2c(S(=O)(=O)NCC[NH+]3CC[NH2+]CCNCC[NH2+]CC3)cccc12,CN(C)c1cccc2c(S(=O)(=O)NCC[NH+]3CCNCC[NH2+]CC[NH2+]CC3)cccc12,CN(C)c1cccc2c(S(=O)(=O)NCCN3CC[NH2+]CC[NH2+]CC[NH2+]CC3)cccc12	mol14424	CN(C)c1cccc2c(S(=O)(=O)NCCN3CCNCCNCCNCC3)cccc12