smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N@H+](C)C(C)(C)C)cc1	96319125	168254696	/nfs/dbraw/zinc/25/46/96/168254696.db2.gz	WHUPORIGDBHXJP-UHFFFAOYSA-N	1	2	193.290	2.930	50	10		AFCALO
COc1ccc([N@@H+](C)C(C)(C)C)cc1	96319125	168254697	/nfs/dbraw/zinc/25/46/97/168254697.db2.gz	WHUPORIGDBHXJP-UHFFFAOYSA-N	1	2	193.290	2.930	50	10		AFCALO
[NH3+]c1ccc(NCc2ccccc2)cc1	3080686	169292777	/nfs/dbraw/zinc/29/27/77/169292777.db2.gz	HLFCOTXLSHLIBK-UHFFFAOYSA-N	1	2	198.269	2.881	50	10		AFCALO