smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC[C@H](NC=C1C(=O)NN=C1c1ccccc1)C(=O)[O-]	ZINC000072179100	191071229	/nfs/dbraw/zinc/07/12/29/191071229.db2.gz	QKNACGMVXBFDOU-BRNRAETOSA-N	-1	0	305.359	0.810	1	10		DCCFRM
COC(=O)Cc1c(=O)oc2c(O)c([O-])cc3c2c1COC3=O	ZINC000014654005	290890429	/nfs/dbraw/zinc/89/04/29/290890429.db2.gz	ANFPZVLMCDTRDI-UHFFFAOYSA-N	-1	0	306.226	0.590	1	10	biogenic,in-vitro	DCCFRM
O=C1c2c(O)cc(O)c(O)c2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O	ZINC000006505558	560205967	/nfs/dbraw/zinc/20/59/67/560205967.db2.gz	ZHPLPRUARZZBET-KGLIPLIRSA-N	-1	0	320.253	0.892	1	10	in-vitro	DCCFRM
COC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC000014860732	560227305	/nfs/dbraw/zinc/22/73/05/560227305.db2.gz	JNWDNAASYHRXMG-RXMQYKEDSA-N	-1	0	306.226	0.753	1	10	in-vitro	DCCFRM
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O	ZINC000014612165	300644039	/nfs/dbraw/zinc/64/40/39/300644039.db2.gz	SVGOJJZXRJJDLY-VVZYVTSVSA-N	-1	0	318.281	0.931	1	10		DCCFRM
COc1ccc(N(C)C)c(C(=O)C[C@@H](NC(C)=O)C(=O)[O-])c1	ZINC000013558622	181862055	/nfs/dbraw/zinc/86/20/55/181862055.db2.gz	GKMLOTWGLQDGMN-GFCCVEGCSA-N	-1	0	308.334	0.923	1	10		DCCFRM
C[C@H]1O[C@@H](CC(=O)[O-])C[C@H]2C(=O)c3cccc(O)c3C(=O)[C@]12O	ZINC000005736087	560202850	/nfs/dbraw/zinc/20/28/50/560202850.db2.gz	IRFITFGOKXSNHV-ODBOWNMKSA-N	-1	0	320.297	0.771	1	10	in-vitro	DCCFRM
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@H]2C(=O)c3cccc(O)c3C(=O)[C@]12O	ZINC000005736088	560202834	/nfs/dbraw/zinc/20/28/34/560202834.db2.gz	IRFITFGOKXSNHV-AFXPVKSRSA-N	-1	0	320.297	0.771	1	10	in-vitro	DCCFRM
COC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC000014860733	560227289	/nfs/dbraw/zinc/22/72/89/560227289.db2.gz	JNWDNAASYHRXMG-YFKPBYRVSA-N	-1	0	306.226	0.753	1	10	biogenic,in-vitro	DCCFRM
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O	ZINC000006066994	395682941	/nfs/dbraw/zinc/68/29/41/395682941.db2.gz	SVGOJJZXRJJDLY-IUFZWFJJSA-N	-1	0	318.281	0.931	1	10	in-vitro	DCCFRM