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(C#N)=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000111459105	958433666	/nfs/dbraw/zinc/43/36/66/958433666.db2.gz	FORBCSHHSOMWCK-CXUHLZMHSA-N	-1	0	366.373	2.625	40	50		FFGBRM
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2)c1C	ZINC000408541543	953394517	/nfs/dbraw/zinc/39/45/17/953394517.db2.gz	GPNTZXFHIVHCFZ-YVLHZVERSA-N	-1	0	367.405	2.995	40	50		FFGBRM
COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000408812391	973925905	/nfs/dbraw/zinc/92/59/05/973925905.db2.gz	LUFZTXGMBLINFP-ACCUITESSA-N	-1	0	354.362	2.704	40	50		FFGBRM
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1)C(=O)[O-]	ZINC000033340231	957180670	/nfs/dbraw/zinc/18/06/70/957180670.db2.gz	GBZPMFWSRLXMCJ-RQNDZEIBSA-N	-1	0	350.374	2.762	40	50		FFGBRM
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1)C(=O)[O-]	ZINC000033340230	957179823	/nfs/dbraw/zinc/17/98/23/957179823.db2.gz	GBZPMFWSRLXMCJ-FMNVXAMXSA-N	-1	0	350.374	2.762	40	50		FFGBRM
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000004680006	956871468	/nfs/dbraw/zinc/87/14/68/956871468.db2.gz	FBYGZYMPZACIFA-GXDHUFHOSA-N	-1	0	352.346	2.704	40	50		FFGBRM
COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000011290316	956890468	/nfs/dbraw/zinc/89/04/68/956890468.db2.gz	ANGNGKZVCDFINN-RVDMUPIBSA-N	-1	0	354.362	2.704	40	50		FFGBRM