smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2[O-])cc1	ZINC000033328472	264002298	/nfs/dbraw/zinc/00/22/98/264002298.db2.gz	KIZRNJHVBQIQEY-WQLSENKSSA-N	-1	1	310.309	2.652	40	50		DFGBMM
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1[O-]	ZINC000408796516	266360736	/nfs/dbraw/zinc/36/07/36/266360736.db2.gz	AKHLJOLZRQDGNZ-VKRGWIQLSA-N	-1	1	323.190	2.976	40	50		DFGBMM
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1[O-]	ZINC000408784961	265855215	/nfs/dbraw/zinc/85/52/15/265855215.db2.gz	DTADFWWFEFXATG-YHYXMXQVSA-N	-1	1	309.163	2.586	40	50		DFGBMM
N#C/C(=C/c1ccccc1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000016448902	264015504	/nfs/dbraw/zinc/01/55/04/264015504.db2.gz	VDEGTMRIPXMDKE-WQLSENKSSA-N	-1	1	309.281	2.846	40	50		DFGBMM
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c([O-])c(OC)c1	ZINC000408808296	266358832	/nfs/dbraw/zinc/35/88/32/266358832.db2.gz	FLTRZVQIKQTQGI-JTTRITNRSA-N	-1	1	308.765	2.876	40	50		DFGBMM