smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCC[C@H]([C@@H]2C[NH+]=C(N)N2)C(=O)OC[C@H](C)CCC[C@H]([C@@H]2C[NH+]=C(N)N2)C(=O)OC1	ZINC000004098434	560195710	/nfs/dbraw/zinc/19/57/10/560195710.db2.gz	CGGAHJGHSHWGLE-WJQMWINMSA-N	2	0	450.584	0.505	10	0	biogenic,in-vitro	JCAERP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1	ZINC000004533797	526818143	/nfs/dbraw/zinc/81/81/43/526818143.db2.gz	NISFAIXCOKCVHV-QZTJIDSGSA-N	3	0	455.567	0.117	10	0		JCAERP
[NH3+]CCCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000009213054	554983307	/nfs/dbraw/zinc/98/33/07/554983307.db2.gz	YUTZYVTZDVZBJJ-DFQSSKMNSA-N	2	0	460.579	0.350	10	0		JCAERP
[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000013298752	555372844	/nfs/dbraw/zinc/37/28/44/555372844.db2.gz	YUTZYVTZDVZBJJ-YSIASYRMSA-N	2	0	460.579	0.350	10	0		JCAERP
[NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000103463404	569835293	/nfs/dbraw/zinc/83/52/93/569835293.db2.gz	YUTZYVTZDVZBJJ-SXLOBPIMSA-N	2	0	460.579	0.350	10	0		JCAERP