pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.11	OCHEM	1	0	Cc1[nH+]c2c3c(c(C(=O)N(C)C)cn2c1Br)CC[C@H](c1ccccc1)C3	Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CC[C@H](c1ccccc1)C3	mol19425	Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CCC(c1ccccc1)C3