smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	ZINC000000670499	956862399	/nfs/dbraw/zinc/86/23/99/956862399.db2.gz	VVCQVBJSIZTRAE-UHFFFAOYSA-N	-1	0	353.161	2.766	50	50		FFGARM
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1)C(=O)[O-]	ZINC000002237655	948772004	/nfs/dbraw/zinc/77/20/04/948772004.db2.gz	GBZPMFWSRLXMCJ-SWEABUAFSA-N	-1	0	350.374	2.762	50	50		FFGARM
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000005059184	956870561	/nfs/dbraw/zinc/87/05/61/956870561.db2.gz	FBYGZYMPZACIFA-UVTDQMKNSA-N	-1	0	352.346	2.704	50	50		FFGARM
C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1)C(=O)[O-]	ZINC000002237651	948773101	/nfs/dbraw/zinc/77/31/01/948773101.db2.gz	GBZPMFWSRLXMCJ-MPMPPSQCSA-N	-1	0	350.374	2.762	50	50		FFGARM
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC(C)(C)CC(=O)[O-])cc2C1	ZINC000016478859	957098564	/nfs/dbraw/zinc/09/85/64/957098564.db2.gz	QPXMBZNETJPOEY-SNVBAGLBSA-N	-1	0	352.456	2.525	50	50		FFGARM
COc1cc(C(=O)NN=Cc2ccc(C(=O)[O-])cc2)ccc1OC(C)C	ZINC000254485062	961321011	/nfs/dbraw/zinc/32/10/11/961321011.db2.gz	BDTHPEULXJXMQT-UHFFFAOYSA-N	-1	0	356.378	2.945	50	50		FFGARM
C[C@H]1CCc2sc(C(=O)NNC(=O)CC(C)(C)CC(=O)[O-])cc2C1	ZINC000016478862	957098031	/nfs/dbraw/zinc/09/80/31/957098031.db2.gz	QPXMBZNETJPOEY-JTQLQIEISA-N	-1	0	352.456	2.525	50	50		FFGARM
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)[O-])cc2OC)cc1	ZINC000007155466	956880391	/nfs/dbraw/zinc/88/03/91/956880391.db2.gz	RSNHDOZPAKTUOQ-NTEUORMPSA-N	-1	0	353.330	2.915	50	50		FFGARM