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@H](Oc1ccccc1C(C)C)C(=O)NNC(=O)NC	ZINC000106017693	734937591	/nfs/dbraw/zinc/93/75/91/734937591.db2.gz	XJTIBDZKGGCWFA-LBPRGKRZSA-N	0	0	293.367	1.928	10	50		CDGERN
COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1	ZINC000001569224	1289004863	/nfs/dbraw/zinc/00/48/63/1289004863.db2.gz	BSBSDQUZDZXGFN-UHFFFAOYSA-N	0	0	297.294	1.230	10	50	in-vitro	CDGERN
CO[C@@H](C)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000105965445	772687030	/nfs/dbraw/zinc/68/70/30/772687030.db2.gz	MINCGACNYBNQDG-ZETCQYMHSA-N	0	0	290.241	1.501	10	50		CDGERN
CCO[C@H](CC)C(=O)NNc1c(F)c(F)nc(F)c1F	ZINC000105593148	725377247	/nfs/dbraw/zinc/37/72/47/725377247.db2.gz	FOVKECPGCFAQIA-RXMQYKEDSA-N	0	0	295.236	1.896	10	50		CDGERN
Cc1cc(C)c(C(=O)NNC(=O)c2ccoc2)cc1C=O	ZINC000793283933	738036095	/nfs/dbraw/zinc/03/60/95/738036095.db2.gz	CDCIMLBLZYTCIT-UHFFFAOYSA-N	0	0	286.287	1.784	10	50		CDGERN
CO[C@H](C)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000105965450	818799423	/nfs/dbraw/zinc/79/94/23/818799423.db2.gz	MINCGACNYBNQDG-SSDOTTSWSA-N	0	0	290.241	1.501	10	50		CDGERN
CC[C@@H](Oc1ccccc1C(C)C)C(=O)NNC(=O)NC	ZINC000106017696	783005168	/nfs/dbraw/zinc/00/51/68/783005168.db2.gz	XJTIBDZKGGCWFA-GFCCVEGCSA-N	0	0	293.367	1.928	10	50		CDGERN
CCO[C@@H](CC)C(=O)NNc1c(F)c(F)nc(F)c1F	ZINC000105593146	682865006	/nfs/dbraw/zinc/86/50/06/682865006.db2.gz	FOVKECPGCFAQIA-YFKPBYRVSA-N	0	0	295.236	1.896	10	50		CDGERN