smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)C1CCCC1	ZINC000826379206	609371982	/nfs/dbraw/zinc/37/19/82/609371982.db2.gz	LRYLLFAYZQMKHS-YFHOEESVSA-N	-1	1	299.359	2.594	20	50		CFGDMM
Cc1cccc2nc(C(C#N)=Cc3c[nH]c(C(=O)[O-])c3)[nH]c21	ZINC000832975992	601790632	/nfs/dbraw/zinc/79/06/32/601790632.db2.gz	GARSASMDQROFFW-VZUCSPMQSA-N	-1	1	292.298	2.962	20	50		CFGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(C(=O)[O-])[nH]3)[nH]c21	ZINC000832976023	601332771	/nfs/dbraw/zinc/33/27/71/601332771.db2.gz	HXROFNKIYIILDZ-JXMROGBWSA-N	-1	1	292.298	2.962	20	50		CFGDMM
Cc1cccc2nc(C(C#N)=Cc3c[nH]c(C(=O)[O-])c3)[nH]c21	ZINC000832975993	601790595	/nfs/dbraw/zinc/79/05/95/601790595.db2.gz	GARSASMDQROFFW-WZUFQYTHSA-N	-1	1	292.298	2.962	20	50		CFGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)C1CCCC1	ZINC000826379205	609372517	/nfs/dbraw/zinc/37/25/17/609372517.db2.gz	LRYLLFAYZQMKHS-JXMROGBWSA-N	-1	1	299.359	2.594	20	50		CFGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(C(=O)[O-])[nH]3)[nH]c21	ZINC000832976024	601332840	/nfs/dbraw/zinc/33/28/40/601332840.db2.gz	HXROFNKIYIILDZ-YFHOEESVSA-N	-1	1	292.298	2.962	20	50		CFGDMM