smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)NCCC[NH2+]C	160247127	571722468	/nfs/dbraw/zinc/72/24/68/571722468.db2.gz	YKWFJTKLMBKUMY-UHFFFAOYSA-N	1	0	181.261	-1.350	20	70		AAIDRO
CCCNS(=O)(=O)NCC[NH3+]	160132415	486975011	/nfs/dbraw/zinc/97/50/11/486975011.db2.gz	WJEPDYZGGOZJJZ-UHFFFAOYSA-N	1	0	181.261	-1.221	20	70		AAIDRO
COC(=O)CN1CCO[C@H](C[NH3+])C1	159509247	344147084	/nfs/dbraw/zinc/14/70/84/344147084.db2.gz	CAGXSFPILOSYMA-SSDOTTSWSA-N	1	0	188.227	-1.181	20	70		AAIDRO
COC(=O)CN1CCO[C@@H](C[NH3+])C1	159509398	344147230	/nfs/dbraw/zinc/14/72/30/344147230.db2.gz	CAGXSFPILOSYMA-ZETCQYMHSA-N	1	0	188.227	-1.181	20	70		AAIDRO