smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=N[N+](=O)[O-])NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[O-]	ZINC000045365175	563192933	/nfs/dbraw/zinc/19/29/33/563192933.db2.gz	ZMCGGHHKSIJWIL-JYJNAYRXSA-N	0	3	494.509	-1.752	1	30		JAEFHN
NC(=N[N+](=O)[O-])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[O-]	ZINC000045389388	563194921	/nfs/dbraw/zinc/19/49/21/563194921.db2.gz	JVHRFYWPHZOPRF-JYJNAYRXSA-N	0	3	478.510	-1.458	1	30		JAEFHN
NC(=[NH2+])NCc1cc2c(c([O-])c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	ZINC000085593171	291417540	/nfs/dbraw/zinc/41/75/40/291417540.db2.gz	KBACFXDSCIUJRW-UZWRAHINSA-N	0	3	473.438	-1.880	1	30	biogenic,in-vitro	JAEFHN
NC(=[NH2+])NCC[C@H](O)[C@@H]1O[C@H](Oc2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085593196	560065372	/nfs/dbraw/zinc/06/53/72/560065372.db2.gz	DMSZKLZMSLAXNI-MISPTVIPSA-N	0	3	487.465	-1.622	1	30	biogenic,in-vitro	JAEFHN