pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.98	Caine	1	0	CC#Cc1cc(C)c([C@@H]2C(=O)C[C@H](Cc3cccc[nH+]3)C2=O)c(C)c1	CC#Cc1cc(C)c([C@@H]2C(=O)C[C@H](Cc3ccccn3)C2=O)c(C)c1	mol2739	CC#Cc1cc(C)c(C2C(=O)CC(Cc3ccccn3)C2=O)c(C)c1