smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)[NH2+]C[C@@H](N)CS	ZINC000022450223	561759221	/nfs/dbraw/zinc/75/92/21/561759221.db2.gz	PGOKBMWPBDRDGN-IBXSQZDTSA-N	1	0	559.795	1.747	10	30	in-vitro	KDEERO
CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)[NH2+]C[C@@H](N)CS	ZINC000022966901	553768854	/nfs/dbraw/zinc/76/88/54/553768854.db2.gz	PGOKBMWPBDRDGN-ZXGKGEBGSA-N	1	0	559.795	1.747	10	30	in-vitro	KDEERO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000077271655	553656646	/nfs/dbraw/zinc/65/66/46/553656646.db2.gz	GNZRKCZTDXRJOT-LQNHAXQCSA-N	1	0	525.510	1.111	10	30	in-vitro	KDEERO
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000100014651	562806127	/nfs/dbraw/zinc/80/61/27/562806127.db2.gz	KUFRQPKVAWMTJO-SBNHGUPZSA-N	1	0	616.756	1.913	10	30		KDEERO
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O	ZINC000100014658	554181239	/nfs/dbraw/zinc/18/12/39/554181239.db2.gz	KUFRQPKVAWMTJO-OQZPTVNQSA-N	1	0	616.756	1.913	10	30		KDEERO
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O	ZINC000100014662	554181232	/nfs/dbraw/zinc/18/12/32/554181232.db2.gz	KUFRQPKVAWMTJO-ZNLIFZFPSA-N	1	0	616.756	1.913	10	30		KDEERO