smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1	ZINC000004533797	526818152	/nfs/dbraw/zinc/81/81/52/526818152.db2.gz	NISFAIXCOKCVHV-QZTJIDSGSA-N	2	1	455.567	0.117	10	0		JCAEMP
CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1	ZINC000015868843	556047188	/nfs/dbraw/zinc/04/71/88/556047188.db2.gz	VIXDKCSTJZAOSW-UHFFFAOYSA-N	2	1	462.638	0.263	10	0		JCAEMP
CC(=O)OC[C@H]1O[C@@H]([n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311650	569705896	/nfs/dbraw/zinc/70/58/96/569705896.db2.gz	UAQWMMHGSAADBO-PAXOCGFSSA-N	2	1	493.533	0.996	10	0	in-vitro	JCAEMP
CC(=O)OC[C@H]1O[C@@H]([n+]2cccc([C@@H]3CCC[N@H+]3C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311650	569705894	/nfs/dbraw/zinc/70/58/94/569705894.db2.gz	UAQWMMHGSAADBO-PAXOCGFSSA-N	2	1	493.533	0.996	10	0	in-vitro	JCAEMP
CC(=O)OC[C@H]1O[C@@H]([n+]2cccc([C@H]3CCC[N@@H+]3C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311653	569705877	/nfs/dbraw/zinc/70/58/77/569705877.db2.gz	UAQWMMHGSAADBO-JHXGOWNISA-N	2	1	493.533	0.996	10	0	in-vitro	JCAEMP
CC(=O)OC[C@H]1O[C@@H]([n+]2cccc([C@H]3CCC[N@H+]3C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311653	569705875	/nfs/dbraw/zinc/70/58/75/569705875.db2.gz	UAQWMMHGSAADBO-JHXGOWNISA-N	2	1	493.533	0.996	10	0	in-vitro	JCAEMP