pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Datawarrior	1	0	CC[C@]12CCC[NH+]3CCc4c(n(c5ccccc45)CC1)[C@@H]32	CC[C@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@@H]32	mol15407	CC[C@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@@H]32