smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1sccc1Br	ZINC000037284513	213138198	/nfs/dbraw/zinc/13/81/98/213138198.db2.gz	XHWHVTGHOFCMAF-WDEREUQCSA-N	0	1	335.270	4.794	20	30		EJEDMN
C[C@@H](N[C@@H](C)c1sccc1Br)c1ccc(C#N)cc1	ZINC000037284512	213137887	/nfs/dbraw/zinc/13/78/87/213137887.db2.gz	XHWHVTGHOFCMAF-MNOVXSKESA-N	0	1	335.270	4.794	20	30		EJEDMN
C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1sccc1Br	ZINC000037284514	213137932	/nfs/dbraw/zinc/13/79/32/213137932.db2.gz	XHWHVTGHOFCMAF-GHMZBOCLSA-N	0	1	335.270	4.794	20	30		EJEDMN
CC(C)c1ccsc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000066005053	215003019	/nfs/dbraw/zinc/00/30/19/215003019.db2.gz	VMXYCBWIYGEOHR-GFCCVEGCSA-N	0	1	338.354	4.775	20	30		EJEDMN
Cc1ccccc1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1	ZINC000079853431	217258432	/nfs/dbraw/zinc/25/84/32/217258432.db2.gz	ISJZFKOIVHOXRE-CYBMUJFWSA-N	0	1	326.808	4.748	20	30		EJEDMN
Cc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	ZINC000079853431	217258434	/nfs/dbraw/zinc/25/84/34/217258434.db2.gz	ISJZFKOIVHOXRE-CYBMUJFWSA-N	0	1	326.808	4.748	20	30		EJEDMN
C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1sccc1Br	ZINC000037284511	213137767	/nfs/dbraw/zinc/13/77/67/213137767.db2.gz	XHWHVTGHOFCMAF-QWRGUYRKSA-N	0	1	335.270	4.794	20	30		EJEDMN
Cc1ccccc1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1	ZINC000079853434	217258028	/nfs/dbraw/zinc/25/80/28/217258028.db2.gz	ISJZFKOIVHOXRE-ZDUSSCGKSA-N	0	1	326.808	4.748	20	30		EJEDMN
Cc1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	ZINC000079853434	217258031	/nfs/dbraw/zinc/25/80/31/217258031.db2.gz	ISJZFKOIVHOXRE-ZDUSSCGKSA-N	0	1	326.808	4.748	20	30		EJEDMN