smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cc(OC)c(OC)c(OC)c3)o1)CCCC2	ZINC000008924953	1064277436	/nfs/dbraw/zinc/27/74/36/1064277436.db2.gz	LTXZYKWRMVTRCA-UHFFFAOYSA-N	0	0	519.601	4.220	20	0		KIADRN
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1	ZINC000015127764	1064272633	/nfs/dbraw/zinc/27/26/33/1064272633.db2.gz	ADDCXLRJPFYKLF-UHFFFAOYSA-N	0	0	504.660	4.168	20	0		KIADRN
O=C(Nc1nc(-c2cccs2)cs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000015320730	1064276541	/nfs/dbraw/zinc/27/65/41/1064276541.db2.gz	YMUQJYYYEUYPHZ-UHFFFAOYSA-N	0	0	505.643	4.072	20	0		KIADRN
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1I	ZINC000015326163	1064276627	/nfs/dbraw/zinc/27/66/27/1064276627.db2.gz	LCJXOUWLGBTIPJ-UHFFFAOYSA-N	0	0	514.385	4.117	20	0		KIADRN
CS(=O)(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1	ZINC000032841831	1064272738	/nfs/dbraw/zinc/27/27/38/1064272738.db2.gz	XTKPSEPLKCRAEA-UHFFFAOYSA-N	0	0	500.001	4.386	20	0		KIADRN
Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(O[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)n[nH]1	ZINC000043153387	562646450	/nfs/dbraw/zinc/64/64/50/562646450.db2.gz	SLUHYAXFRJQTGB-KRWDZBQOSA-N	0	0	529.979	4.276	20	0	in-man	KIADRN
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)CC1	ZINC000197490069	1064286840	/nfs/dbraw/zinc/28/68/40/1064286840.db2.gz	JSNWLUORMMLQSQ-UHFFFAOYSA-N	0	0	500.024	4.185	20	0		KIADRN
COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4nc(N5CCOCC5)sc4C)o3)nc2s1	ZINC000205696030	562875694	/nfs/dbraw/zinc/87/56/94/562875694.db2.gz	MINMDCMSHDBHKG-UHFFFAOYSA-N	0	0	513.601	4.402	20	0		KIADRN
CS(=O)(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1	ZINC000612590120	1064287671	/nfs/dbraw/zinc/28/76/71/1064287671.db2.gz	FBFPKEJQRIPLNA-UHFFFAOYSA-N	0	0	500.001	4.386	20	0		KIADRN