smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1nc2c(cccc2O)s1	ZINC001252614067	968870594	/nfs/dbraw/zinc/87/05/94/968870594.db2.gz	WIRKLZYVNCTVFO-UHFFFAOYSA-N	-2	2	244.297	1.373	20	0		BDADLL
O=C(NCc1ccc(O)c(F)c1)C(F)(F)F	ZINC000738553137	585047305	/nfs/dbraw/zinc/04/73/05/585047305.db2.gz	ZGSCGLUNSFEWKY-UHFFFAOYSA-N	-2	2	237.152	1.710	20	0		BDADLL
Cn1cnc(Nc2c(F)cc(F)c(O)c2F)n1	ZINC001176662542	978155829	/nfs/dbraw/zinc/15/58/29/978155829.db2.gz	QAXUDFCPDVIUHI-UHFFFAOYSA-N	-2	2	244.176	1.682	20	0		BDADLL
O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cnco1	ZINC000677521254	488063683	/nfs/dbraw/zinc/06/36/83/488063683.db2.gz	PRJXOXIEGYCMPW-UHFFFAOYSA-N	-2	2	247.136	1.064	20	0		BDADLL
O=C(Nc1ncccc1O)c1c(O)cccc1F	ZINC000121938333	324024299	/nfs/dbraw/zinc/02/42/99/324024299.db2.gz	YUQBFTCQBBHBOY-UHFFFAOYSA-N	-2	2	248.213	1.884	20	0		BDADLL
CCC1=NN(c2cn[nH]c(=O)c2Cl)C(=O)C1	ZINC000614185162	363747417	/nfs/dbraw/zinc/74/74/17/363747417.db2.gz	LCELLSNAIXMOCC-UHFFFAOYSA-N	-2	2	240.650	1.338	20	0		BDADLL
CCc1[nH][nH]c(=NC(=O)c2ncccc2O)c1C	ZINC000564349111	388533479	/nfs/dbraw/zinc/53/34/79/388533479.db2.gz	KOHMDIRYBHAYRR-UHFFFAOYSA-N	-2	2	246.270	1.055	20	0		BDADLL