smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	ZINC000051533519	568066151	/nfs/dbraw/zinc/06/61/51/568066151.db2.gz	FUOQGAZVUYZGFO-QGZVFWFLSA-N	-1	0	371.465	5.275	20	30		FKEDRM
CCn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	ZINC000051533520	568066161	/nfs/dbraw/zinc/06/61/61/568066161.db2.gz	FUOQGAZVUYZGFO-KRWDZBQOSA-N	-1	0	371.465	5.275	20	30		FKEDRM
CC(C)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	ZINC000066545049	568064935	/nfs/dbraw/zinc/06/49/35/568064935.db2.gz	XNGNPQYKTKYCPU-LJQANCHMSA-N	-1	0	371.465	5.295	20	30		FKEDRM
CC(C)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	ZINC000066545050	568064905	/nfs/dbraw/zinc/06/49/05/568064905.db2.gz	XNGNPQYKTKYCPU-IBGZPJMESA-N	-1	0	371.465	5.295	20	30		FKEDRM
N#CC(=C([O-])c1cnc2ccsc2c1)c1nc2cc(Cl)ccc2s1	ZINC000525796124	568273971	/nfs/dbraw/zinc/27/39/71/568273971.db2.gz	BDTNMNSBIVMIGQ-NSHDSACASA-N	-1	0	369.858	5.049	20	30		FKEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000551773763	568246303	/nfs/dbraw/zinc/24/63/03/568246303.db2.gz	SVBNITPSPYXPAA-AWEZNQCLSA-N	-1	0	356.834	5.163	20	30		FKEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000551773764	568246300	/nfs/dbraw/zinc/24/63/00/568246300.db2.gz	SVBNITPSPYXPAA-CQSZACIVSA-N	-1	0	356.834	5.163	20	30		FKEDRM
CCc1ccc2occ(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2c1	ZINC000552369045	568270551	/nfs/dbraw/zinc/27/05/51/568270551.db2.gz	PTSOFEILXGDCCX-AWEZNQCLSA-N	-1	0	352.459	5.239	20	30		FKEDRM
CCc1ccc2occ(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2c1	ZINC000552369046	568270539	/nfs/dbraw/zinc/27/05/39/568270539.db2.gz	PTSOFEILXGDCCX-CQSZACIVSA-N	-1	0	352.459	5.239	20	30		FKEDRM
CC(C)c1ccc2occ(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2c1	ZINC000553992790	568402593	/nfs/dbraw/zinc/40/25/93/568402593.db2.gz	NNUNEAWCLMRZGX-HNNXBMFYSA-N	-1	0	372.346	5.460	20	30		FKEDRM
CC(C)c1ccc2occ(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2c1	ZINC000553992795	568402569	/nfs/dbraw/zinc/40/25/69/568402569.db2.gz	NNUNEAWCLMRZGX-OAHLLOKOSA-N	-1	0	372.346	5.460	20	30		FKEDRM
CC(C)c1ccc2occ(C([O-])=C(C#N)c3nc4ccccc4s3)c2c1	ZINC000554309322	568404493	/nfs/dbraw/zinc/40/44/93/568404493.db2.gz	PIPLYJURDKNWAS-HNNXBMFYSA-N	-1	0	360.438	5.656	20	30		FKEDRM
CC(C)c1ccc2occ(C([O-])=C(C#N)c3nc4ccccc4s3)c2c1	ZINC000554309323	568404470	/nfs/dbraw/zinc/40/44/70/568404470.db2.gz	PIPLYJURDKNWAS-OAHLLOKOSA-N	-1	0	360.438	5.656	20	30		FKEDRM
Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc4nc(C)ccc4o3)n2)cc1	ZINC000556057437	568427653	/nfs/dbraw/zinc/42/76/53/568427653.db2.gz	CXBOAIOTKIBUIH-HNNXBMFYSA-N	-1	0	373.437	5.058	20	30		FKEDRM
Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc4nc(C)ccc4o3)n2)cc1	ZINC000556057438	568427732	/nfs/dbraw/zinc/42/77/32/568427732.db2.gz	CXBOAIOTKIBUIH-OAHLLOKOSA-N	-1	0	373.437	5.058	20	30		FKEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1	ZINC000556480104	568435946	/nfs/dbraw/zinc/43/59/46/568435946.db2.gz	MWLXPODWENFSSR-AWEZNQCLSA-N	-1	0	367.861	5.021	20	30		FKEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1	ZINC000556480107	568435873	/nfs/dbraw/zinc/43/58/73/568435873.db2.gz	MWLXPODWENFSSR-CQSZACIVSA-N	-1	0	367.861	5.021	20	30		FKEDRM
COc1ccc(-c2csc(C(C#N)=C([O-])c3occc3C(C)C)n2)cc1	ZINC000556553011	568437352	/nfs/dbraw/zinc/43/73/52/568437352.db2.gz	FBTNRXTYSNLQGQ-INIZCTEOSA-N	-1	0	366.442	5.025	20	30		FKEDRM
COc1ccc(-c2csc(C(C#N)=C([O-])c3occc3C(C)C)n2)cc1	ZINC000556553014	568437412	/nfs/dbraw/zinc/43/74/12/568437412.db2.gz	FBTNRXTYSNLQGQ-MRXNPFEDSA-N	-1	0	366.442	5.025	20	30		FKEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000556566688	568437542	/nfs/dbraw/zinc/43/75/42/568437542.db2.gz	OTOVNXVBHFQTJK-HNNXBMFYSA-N	-1	0	370.861	5.670	20	30		FKEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000556566690	568437599	/nfs/dbraw/zinc/43/75/99/568437599.db2.gz	OTOVNXVBHFQTJK-OAHLLOKOSA-N	-1	0	370.861	5.670	20	30		FKEDRM