smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(S(=O)(=O)NCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cn1C	ZINC000737482203	598285616	/nfs/dbraw/zinc/28/56/16/598285616.db2.gz	DYXBFWVZQCWJLG-UHFFFAOYSA-N	-2	1	391.377	-1.580	20	30		GAEDML
CC(C)OCCS(=O)(=O)NCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820146842	945362385	/nfs/dbraw/zinc/36/23/85/945362385.db2.gz	SGUQXWYUFXVXBN-UHFFFAOYSA-N	-2	1	383.394	-1.256	20	30		GAEDML
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820451559	606693821	/nfs/dbraw/zinc/69/38/21/606693821.db2.gz	VWJQEOKZTWIXRG-LURJTMIESA-N	-2	1	391.377	-1.500	20	30		GAEDML
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820451563	606693734	/nfs/dbraw/zinc/69/37/34/606693734.db2.gz	VWJQEOKZTWIXRG-ZCFIWIBFSA-N	-2	1	391.377	-1.500	20	30		GAEDML
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n(C)c1=O	ZINC000822685213	607375073	/nfs/dbraw/zinc/37/50/73/607375073.db2.gz	VEUGBOGEIPRILQ-UHFFFAOYSA-N	-2	1	380.346	-1.831	20	30		GAEDML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000912554379	1074497605	/nfs/dbraw/zinc/49/76/05/1074497605.db2.gz	SFXDIGUINSHJPP-UHFFFAOYSA-N	-2	1	382.358	-1.301	20	30		GAEDML
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC001592666354	1076195845	/nfs/dbraw/zinc/19/58/45/1076195845.db2.gz	YSVYOAYGXJNUAJ-JTQLQIEISA-N	-2	1	375.370	-1.159	20	30		GAEDML
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC001592666355	1076195749	/nfs/dbraw/zinc/19/57/49/1076195749.db2.gz	YSVYOAYGXJNUAJ-SNVBAGLBSA-N	-2	1	375.370	-1.159	20	30		GAEDML
C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC001602724299	1076272717	/nfs/dbraw/zinc/27/27/17/1076272717.db2.gz	CHILKNJUXJNVFM-UHFFFAOYSA-N	-2	1	388.435	-1.715	20	30		GAEDML
Cn1cc(S(=O)(=O)[N-]N=Cc2nc(-c3nn[n-]n3)cs2)c(=O)n(C)c1=O	ZINC001609479863	1076421503	/nfs/dbraw/zinc/42/15/03/1076421503.db2.gz	UKUFAGKNJXEPTO-UHFFFAOYSA-N	-2	1	397.402	-1.967	20	30		GAEDML