smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)C(=O)N[O-])C(C)(C)C	ZINC000011616943	379420997	/nfs/dbraw/zinc/42/09/97/379420997.db2.gz	OCSMOTCMPXTDND-MXWKQRLJSA-N	-1	3	331.413	-0.208	10	30		EBEEHM
CN1CCN(N=c2nc[n-]c(N(CC#N)CC#N)c2[N+](=O)[O-])CC1	ZINC000040617905	213359868	/nfs/dbraw/zinc/35/98/68/213359868.db2.gz	ZMRUUFIYWARMEL-UHFFFAOYSA-N	-1	3	331.340	-0.187	10	30		EBEEHM
CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)[C@H](O)C(=O)N[O-])C(C)(C)C	ZINC000095911058	376481690	/nfs/dbraw/zinc/48/16/90/376481690.db2.gz	OCSMOTCMPXTDND-GARJFASQSA-N	-1	3	331.413	-0.208	10	30		EBEEHM
CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)N[O-])C(C)(C)C	ZINC000027079413	381963273	/nfs/dbraw/zinc/96/32/73/381963273.db2.gz	OCSMOTCMPXTDND-VWYCJHECSA-N	-1	3	331.413	-0.208	10	30		EBEEHM
CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)[C@H](O)C(=O)N[O-])C(C)(C)C	ZINC000043771549	376105021	/nfs/dbraw/zinc/10/50/21/376105021.db2.gz	OCSMOTCMPXTDND-DCAQKATOSA-N	-1	3	331.413	-0.208	10	30		EBEEHM
CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)[C@@H](O)C(=O)N[O-])C(C)(C)C	ZINC000011616941	211227033	/nfs/dbraw/zinc/22/70/33/211227033.db2.gz	OCSMOTCMPXTDND-AXFHLTTASA-N	-1	3	331.413	-0.208	10	30		EBEEHM