smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C1=C(C)NC(=C(C#N)C#N)C(C#N)[C@H]1c1ccccc1	ZINC000061852261	263971700	/nfs/dbraw/zinc/97/17/00/263971700.db2.gz	ZGTZFNSFDGRMNM-QGZVFWFLSA-N	0	2	301.329	2.636	40	50		DFGBLN
N#CC1=C(N)NC(S)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	ZINC000012375413	264021294	/nfs/dbraw/zinc/02/12/94/264021294.db2.gz	PKCDBUMEXVAERY-LLVKDONJSA-N	0	2	322.315	2.751	40	50		DFGBLN
N#CC1=C(N)NC(S)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	ZINC000012375414	264021423	/nfs/dbraw/zinc/02/14/23/264021423.db2.gz	PKCDBUMEXVAERY-NSHDSACASA-N	0	2	322.315	2.751	40	50		DFGBLN
COC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCC1	ZINC000005719904	263993206	/nfs/dbraw/zinc/99/32/06/263993206.db2.gz	MXSNHKMSNGBGRW-ZDUSSCGKSA-N	0	2	301.371	2.834	40	50		DFGBLN
COC(=O)C(C#N)C1=C(C(SC)=C(C#N)C#N)CCCC1	ZINC000005719904	263993211	/nfs/dbraw/zinc/99/32/11/263993211.db2.gz	MXSNHKMSNGBGRW-ZDUSSCGKSA-N	0	2	301.371	2.834	40	50		DFGBLN