smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1N	ZINC000095540435	562755737	/nfs/dbraw/zinc/75/57/37/562755737.db2.gz	JCPMGPKTAXJZQA-XLIKFSOKSA-N	-1	3	802.806	-1.922	1	5		KABFHM
NC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1N	ZINC000095540435	562755736	/nfs/dbraw/zinc/75/57/36/562755736.db2.gz	JCPMGPKTAXJZQA-XLIKFSOKSA-N	-1	3	802.806	-1.922	1	5		KABFHM
NC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095543631	562757409	/nfs/dbraw/zinc/75/74/09/562757409.db2.gz	ZFDKXIYSIXEMPZ-QORCZRPOSA-N	-1	3	789.767	-2.913	1	5		KABFHM
NC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095543631	562757408	/nfs/dbraw/zinc/75/74/08/562757408.db2.gz	ZFDKXIYSIXEMPZ-QORCZRPOSA-N	-1	3	789.767	-2.913	1	5		KABFHM
CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@@H](C)O)C(C)C)C(N)=O	ZINC000095614447	562786606	/nfs/dbraw/zinc/78/66/06/562786606.db2.gz	RZBJNEWMGZLTHV-VPFUYYLISA-N	-1	3	821.930	-1.516	1	5		KABFHM
CN(C)[N+]([O-])=NOc1cc(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000473110131	562898529	/nfs/dbraw/zinc/89/85/29/562898529.db2.gz	VHQYQOGCDIRNLI-UWVGGRQHSA-O	-1	3	577.509	-1.473	1	5		KABFHM