smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C1=O	ZINC000016138317	395690209	/nfs/dbraw/zinc/69/02/09/395690209.db2.gz	OWEQTZSJQLILEJ-DHZHZOJOSA-N	-2	0	315.285	0.945	40	30		DCEBRL
Cc1cccc(NN=C2C(=O)[N-]C(=S)NC2=O)c1C(=O)[O-]	ZINC000038290813	395732044	/nfs/dbraw/zinc/73/20/44/395732044.db2.gz	UGXCATHNVKWPFN-UHFFFAOYSA-N	-2	0	306.303	0.832	40	30		DCEBRL
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C1=O	ZINC000006780772	181386619	/nfs/dbraw/zinc/38/66/19/181386619.db2.gz	OWEQTZSJQLILEJ-FLIBITNWSA-N	-2	0	315.285	0.945	40	30		DCEBRL
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccccc2C(=O)[O-])C1=O	ZINC000209854191	1177410994	/nfs/dbraw/zinc/41/09/94/1177410994.db2.gz	ZHPVESCURVKKOC-CSKARUKUSA-N	-2	0	315.285	0.945	40	30		DCEBRL
N#Cc1cn([C@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)[n-]c1=O	ZINC000504131760	268308783	/nfs/dbraw/zinc/30/87/83/268308783.db2.gz	RBAAHZGGVLBHOJ-LLVKDONJSA-N	-2	0	301.258	0.395	40	30		DCEBRL
O=c1nc2nc(NN=Cc3ccccc3F)[n-]nc-2c(=O)[n-]1	ZINC000031939386	527442035	/nfs/dbraw/zinc/44/20/35/527442035.db2.gz	MLZCDXJBOWOIFN-RZNTYIFUSA-N	-2	0	301.241	0.399	40	30		DCEBRL
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccccc2C(=O)[O-])C1=O	ZINC000016138323	395690183	/nfs/dbraw/zinc/69/01/83/395690183.db2.gz	ZHPVESCURVKKOC-NTMALXAHSA-N	-2	0	315.285	0.945	40	30		DCEBRL
C=CCN1C(=O)[N-]C(=O)C(=CNc2cccc(C(=O)[O-])c2)C1=O	ZINC000016138319	395690218	/nfs/dbraw/zinc/69/02/18/395690218.db2.gz	LRRZOSWNLLTPOP-DHZHZOJOSA-N	-2	0	315.285	0.945	40	30		DCEBRL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])[C@@H]2C=CC(=O)[C@H]1N2Cc1ccccc1	ZINC000057680547	304160084	/nfs/dbraw/zinc/16/00/84/304160084.db2.gz	RIJSDQUHLSYCDR-IGHBBLSQSA-N	-2	0	301.298	0.780	40	30	in-vitro	DCEBRL
C=CCN1C(=O)[N-]C(=O)C(=CNc2cccc(C(=O)[O-])c2)C1=O	ZINC000209854120	1177411386	/nfs/dbraw/zinc/41/13/86/1177411386.db2.gz	LRRZOSWNLLTPOP-FLIBITNWSA-N	-2	0	315.285	0.945	40	30		DCEBRL
O=c1[nH]c(=S)[nH]c([O-])c1N=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016385827	415156090	/nfs/dbraw/zinc/15/60/90/415156090.db2.gz	GDJSFOLPLIBWMI-UHFFFAOYSA-N	-2	0	309.263	0.440	40	30		DCEBRL
Cc1ccc(C(=O)[O-])cc1NN=C1C(=O)[N-]C(=S)NC1=O	ZINC000038290758	395731760	/nfs/dbraw/zinc/73/17/60/395731760.db2.gz	PSHKSLAVOZSJPZ-UHFFFAOYSA-N	-2	0	306.303	0.832	40	30		DCEBRL
N#Cc1cn([C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)[n-]c1=O	ZINC000504131762	268308935	/nfs/dbraw/zinc/30/89/35/268308935.db2.gz	RBAAHZGGVLBHOJ-NSHDSACASA-N	-2	0	301.258	0.395	40	30		DCEBRL
Cc1cc(C(=O)[O-])ccc1NN=C1C(=O)[N-]C(=S)NC1=O	ZINC000038290757	301155130	/nfs/dbraw/zinc/15/51/30/301155130.db2.gz	VWDVHYMGCGLSKF-UHFFFAOYSA-N	-2	0	306.303	0.832	40	30		DCEBRL