pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	1	0	CN(C)CCC/[NH+]=C(\c1ccccc1)c1cccc2ccccc12,C[NH+](C)CCC/N=C(\c1ccccc1)c1cccc2ccccc12	CN(C)CCC/N=C(\c1ccccc1)c1cccc2ccccc12	mol14627	CN(C)CCC/N=C(\c1ccccc1)c1cccc2ccccc12
4.16	Datawarrior	2	1	C[NH+](C)CCC/[NH+]=C(\c1ccccc1)c1cccc2ccccc12	CN(C)CCC/[NH+]=C(\c1ccccc1)c1cccc2ccccc12,C[NH+](C)CCC/N=C(\c1ccccc1)c1cccc2ccccc12	mol14627	CN(C)CCC/N=C(\c1ccccc1)c1cccc2ccccc12