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)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2)n1	ZINC000820197822	945373209	/nfs/dbraw/zinc/37/32/09/945373209.db2.gz	NSRKMEAQXFNMBT-NTUHNPAUSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2)n1	ZINC000820197822	945373221	/nfs/dbraw/zinc/37/32/21/945373221.db2.gz	NSRKMEAQXFNMBT-NTUHNPAUSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2cccc(-c3nnn[n-]3)c2)n1	ZINC000820197157	945372015	/nfs/dbraw/zinc/37/20/15/945372015.db2.gz	GWMLIXVPZMZMCG-QPEQYQDCSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)n1	ZINC000820197157	945372027	/nfs/dbraw/zinc/37/20/27/945372027.db2.gz	GWMLIXVPZMZMCG-QPEQYQDCSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccccc2-c2nnn[n-]2)n1	ZINC000824352843	607884638	/nfs/dbraw/zinc/88/46/38/607884638.db2.gz	PTBSQAFLLBEEMC-KPKJPENVSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccccc2-c2nn[n-]n2)n1	ZINC000824352843	607884639	/nfs/dbraw/zinc/88/46/39/607884639.db2.gz	PTBSQAFLLBEEMC-KPKJPENVSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2cccc(-c3nnn[n-]3)c2)n1	ZINC000820197151	945372520	/nfs/dbraw/zinc/37/25/20/945372520.db2.gz	GWMLIXVPZMZMCG-NTUHNPAUSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)n1	ZINC000820197151	945372528	/nfs/dbraw/zinc/37/25/28/945372528.db2.gz	GWMLIXVPZMZMCG-NTUHNPAUSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2)n1	ZINC000820197823	945373315	/nfs/dbraw/zinc/37/33/15/945373315.db2.gz	NSRKMEAQXFNMBT-QPEQYQDCSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2)n1	ZINC000820197823	945373325	/nfs/dbraw/zinc/37/33/25/945373325.db2.gz	NSRKMEAQXFNMBT-QPEQYQDCSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccccc2-c2nnn[n-]2)n1	ZINC000824352837	607884439	/nfs/dbraw/zinc/88/44/39/607884439.db2.gz	PTBSQAFLLBEEMC-GHXNOFRVSA-N	-1	3	322.397	3.511	20	50		DHGDHM
CC(C)c1csc(C(C#N)=Cc2ccccc2-c2nn[n-]n2)n1	ZINC000824352837	607884440	/nfs/dbraw/zinc/88/44/40/607884440.db2.gz	PTBSQAFLLBEEMC-GHXNOFRVSA-N	-1	3	322.397	3.511	20	50		DHGDHM