smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000072117985	957733042	/nfs/dbraw/zinc/73/30/42/957733042.db2.gz	OHZBAVCTTPSORW-GDNBJRDFSA-N	-1	0	330.343	3.964	50	50		EHGARM
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000006901992	956877742	/nfs/dbraw/zinc/87/77/42/956877742.db2.gz	OHZBAVCTTPSORW-XNTDXEJSSA-N	-1	0	330.343	3.964	50	50		EHGARM
CCOC(=O)c1sc([N-]C(=O)c2ccco2)c(SC#N)c1C	ZINC000004088272	883943688	/nfs/dbraw/zinc/94/36/88/883943688.db2.gz	QBVIRPJBDIZKBC-UHFFFAOYSA-N	-1	0	336.394	3.652	50	50	in-vitro	EHGARM
O=C([O-])c1ccccc1C(=O)NN=C(c1ccccc1)c1ccccc1	ZINC000003956893	956868036	/nfs/dbraw/zinc/86/80/36/956868036.db2.gz	JSBWNKCZWATLDM-UHFFFAOYSA-N	-1	0	344.370	3.567	50	50		EHGARM
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000005059312	956871226	/nfs/dbraw/zinc/87/12/26/956871226.db2.gz	QGHSVDVXQBLGAR-NTEUORMPSA-N	-1	0	340.766	3.892	50	50		EHGARM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1c[nH]c2cc(F)ccc21	ZINC000044027085	957443824	/nfs/dbraw/zinc/44/38/24/957443824.db2.gz	GXRAZYLPNCWDKF-QPEQYQDCSA-N	-1	0	334.306	3.795	50	50		EHGARM
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)[O-])cc1	ZINC000071793186	957732874	/nfs/dbraw/zinc/73/28/74/957732874.db2.gz	TZAFGBQJVOLJIF-WJDWOHSUSA-N	-1	0	329.359	3.839	50	50		EHGARM
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)[O-])cc1	ZINC000007155499	956880220	/nfs/dbraw/zinc/88/02/20/956880220.db2.gz	TZAFGBQJVOLJIF-LFIBNONCSA-N	-1	0	329.359	3.839	50	50		EHGARM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000013894489	957095177	/nfs/dbraw/zinc/09/51/77/957095177.db2.gz	NGVALLYVNZYRHU-LCYFTJDESA-N	-1	0	326.739	3.584	50	50		EHGARM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1c[nH]c2cc(F)ccc21	ZINC000040139953	957359095	/nfs/dbraw/zinc/35/90/95/957359095.db2.gz	GXRAZYLPNCWDKF-NTUHNPAUSA-N	-1	0	334.306	3.795	50	50		EHGARM
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000006139018	956875175	/nfs/dbraw/zinc/87/51/75/956875175.db2.gz	AHXWFJCRLCGXNI-LDADJPATSA-N	-1	0	349.386	3.892	50	50		EHGARM