smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)[O-]	ZINC000044867288	957449942	/nfs/dbraw/zinc/44/99/42/957449942.db2.gz	ARSXSGRNWMADMM-GHXNOFRVSA-N	-1	0	288.303	1.582	40	50		CDGBRM
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000006638476	956878728	/nfs/dbraw/zinc/87/87/28/956878728.db2.gz	CPSNRRCORFBECR-UKTHLTGXSA-N	-1	0	288.303	1.444	40	50		CDGBRM
CNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000059248119	957561315	/nfs/dbraw/zinc/56/13/15/957561315.db2.gz	GTORLCPUZWELSW-MKVDPYIPSA-N	-1	0	274.276	1.191	40	50		CDGBRM
CNC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000059248120	957560838	/nfs/dbraw/zinc/56/08/38/957560838.db2.gz	GTORLCPUZWELSW-MDXIRLPMSA-N	-1	0	274.276	1.191	40	50		CDGBRM
CC(C)NC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000004506789	967492038	/nfs/dbraw/zinc/49/20/38/967492038.db2.gz	ZCFRRWCBBHHPIU-GHXNOFRVSA-N	-1	0	258.277	1.816	40	50		CDGBRM