smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2ccc3nc(-c4cc(F)ccc4[O-])oc3c2)c(OC)c1OC	ZINC000023452807	207277449	/nfs/dbraw/zinc/27/74/49/207277449.db2.gz	QARDOXDPHOIPOD-UHFFFAOYSA-N	-1	1	395.386	5.032	10	0		GKAEMM
O=c1[n-]c(=S)[nH]c2c1[C@@H](c1ccccc1)C1=C(N2)C(=Cc2ccccc2)CCC1	ZINC000101652576	208395542	/nfs/dbraw/zinc/39/55/42/208395542.db2.gz	KICWFUSFTZQTGX-FLXZHSAZSA-N	-1	1	399.519	5.511	10	0		GKAEMM
CCc1c(=O)[n-]c(=S)n(COCc2ccc(C)cc2)c1Sc1ccccc1	ZINC000000586600	209226439	/nfs/dbraw/zinc/22/64/39/209226439.db2.gz	KOMKSTDMBHWMEQ-UHFFFAOYSA-N	-1	1	398.553	5.102	10	0		GKAEMM
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000004321606	570367962	/nfs/dbraw/zinc/36/79/62/570367962.db2.gz	HYPWZYISERGSIB-BIZFCNDTSA-N	-1	1	396.767	5.140	10	0		GKAEMM
CCCCCC(=O)[C@H](CCCC)c1oc(=O)c(CCCC)c([O-])c1CCCC	ZINC000015149856	212105005	/nfs/dbraw/zinc/10/50/05/212105005.db2.gz	SNSPVFCYLPZTRZ-SFHVURJKSA-N	-1	1	392.580	6.454	10	0	in-vitro	GKAEMM
CC(C)n1c(/C=C/[C@H]2CC([O-])=CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21	ZINC000100515507	206304249	/nfs/dbraw/zinc/30/42/49/206304249.db2.gz	ZGDYKLKDTFTSJY-CVTTXWKISA-N	-1	1	391.442	5.799	10	0		GKAEMM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1	ZINC000057341957	524105490	/nfs/dbraw/zinc/10/54/90/524105490.db2.gz	RWDUNEQQYJJQOZ-UHFFFAOYSA-N	-1	1	379.769	5.161	10	0		GKAEMM
CCCCCC(=O)[C@@H](CCCC)c1oc(=O)c(CCCC)c([O-])c1CCCC	ZINC000015149854	212116854	/nfs/dbraw/zinc/11/68/54/212116854.db2.gz	SNSPVFCYLPZTRZ-GOSISDBHSA-N	-1	1	392.580	6.454	10	0	in-vitro	GKAEMM
Cc1ccc(COc2ccc(Cl)cc2CNCc2ccc(C(=O)[O-])cc2)cc1	ZINC000020875159	210365599	/nfs/dbraw/zinc/36/55/99/210365599.db2.gz	IOEHWWLWYCILQU-UHFFFAOYSA-N	-1	1	395.886	5.215	10	0		GKAEMM
O=S(=O)([N-]c1cccc(-c2cc3ccccc3[nH]2)c1)c1cccc(Cl)c1	ZINC000015868411	210178377	/nfs/dbraw/zinc/17/83/77/210178377.db2.gz	CWDMGGTXWIUSHC-UHFFFAOYSA-N	-1	1	382.872	5.289	10	0		GKAEMM
CC(C)n1c(/C=C/[C@@H]2CC([O-])=CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21	ZINC000100515500	212157634	/nfs/dbraw/zinc/15/76/34/212157634.db2.gz	ZGDYKLKDTFTSJY-TZZQJPOUSA-N	-1	1	391.442	5.799	10	0		GKAEMM
Cc1cccc(-c2cc(=O)[n-]c(Nc3cc(C(F)(F)F)ccc3Cl)n2)c1	ZINC000057341919	524105598	/nfs/dbraw/zinc/10/55/98/524105598.db2.gz	BZFNIYGHUXAOJK-UHFFFAOYSA-N	-1	1	379.769	5.161	10	0		GKAEMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)c1ccc(-c2ccccc2)cc1	ZINC000020530378	570265465	/nfs/dbraw/zinc/26/54/65/570265465.db2.gz	UZZDDIABQSVZTB-UHFFFAOYSA-N	-1	1	398.487	5.079	10	0		GKAEMM
O=S(=O)([N-]c1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1)c1ccccc1	ZINC000033106127	570810563	/nfs/dbraw/zinc/81/05/63/570810563.db2.gz	GIJVZHZGDOASJT-UHFFFAOYSA-N	-1	1	382.872	5.289	10	0		GKAEMM
O=c1c2ccc(Cl)cc2[nH]c([O-])c1-c1cccc(NCc2ccccc2)c1	ZINC000013775722	210090311	/nfs/dbraw/zinc/09/03/11/210090311.db2.gz	OYVYVLWLPDVJIA-UHFFFAOYSA-N	-1	1	376.843	5.166	10	0		GKAEMM
O=C1[N-]C(=S)SC1=Cc1cccc(OCc2c(F)cccc2Cl)c1	ZINC000001138881	212221868	/nfs/dbraw/zinc/22/18/68/212221868.db2.gz	HYCAPMVKEYHWAJ-OVCLIPMQSA-N	-1	1	379.865	5.387	10	0		GKAEMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)cc3c2)cc1	ZINC000090765686	206299185	/nfs/dbraw/zinc/29/91/85/206299185.db2.gz	QRSSSULVQIMFBS-UHFFFAOYSA-N	-1	1	390.508	5.759	10	0		GKAEMM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1	ZINC000057342065	525715657	/nfs/dbraw/zinc/71/56/57/525715657.db2.gz	JPNYSQAFNOJZOD-UHFFFAOYSA-N	-1	1	379.769	5.161	10	0		GKAEMM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	ZINC000057342085	525716748	/nfs/dbraw/zinc/71/67/48/525716748.db2.gz	IECRFHWRMUSYBK-UHFFFAOYSA-N	-1	1	379.769	5.161	10	0		GKAEMM