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](NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000002604137	554240429	/nfs/dbraw/zinc/24/04/29/554240429.db2.gz	NKZUYPXFECRHNI-RSBGCTCZSA-N	-2	0	451.823	-0.770	50	10		JBCARL
C[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000020462986	525031614	/nfs/dbraw/zinc/03/16/14/525031614.db2.gz	NKZUYPXFECRHNI-KBKYEYNWSA-N	-2	0	451.823	-0.770	50	10		JBCARL
C[C@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000020462989	524871882	/nfs/dbraw/zinc/87/18/82/524871882.db2.gz	NKZUYPXFECRHNI-ICKMXJIXSA-N	-2	0	451.823	-0.770	50	10		JBCARL
C[C@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000020462996	524870329	/nfs/dbraw/zinc/87/03/29/524870329.db2.gz	NKZUYPXFECRHNI-PGNPSOMDSA-N	-2	0	451.823	-0.770	50	10		JBCARL
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000021992916	569602413	/nfs/dbraw/zinc/60/24/13/569602413.db2.gz	DJSISFGPUUYILV-ZFORQUDYSA-N	-2	0	462.363	-0.152	50	10	biogenic,in-vitro	JBCARL
O=C([O-])[C@@H](CS(=O)(=O)[O-])NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000095346118	569722329	/nfs/dbraw/zinc/72/23/29/569722329.db2.gz	CCVNTOQNWORHCE-NAZIUFLLSA-N	-3	0	462.234	-0.154	50	10		JBCARL
O=C([O-])[C@H](CS(=O)(=O)[O-])NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000100923665	569775986	/nfs/dbraw/zinc/77/59/86/569775986.db2.gz	CCVNTOQNWORHCE-CYNRKNSPSA-N	-3	0	462.234	-0.154	50	10		JBCARL