pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6999998	OCHEM	1	0	C[C@H](CCC[NH3+])[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	C[C@H](CCCN)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	mol32704	CC(CCCN)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C