smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(C)c([O-])c(C(=O)C=C([O-])c2ccccc2)c(O)c1C=O	ZINC000101226052	204001572	/nfs/dbraw/zinc/00/15/72/204001572.db2.gz	NDXOLILIMMVXLG-ZSOIEALJSA-N	-3	0	328.320	3.009	1	30		EGEFRL
O=C([O-])c1cccc(COc2cccc(CCS)c2C(=O)[O-])c1	ZINC000034280075	202273002	/nfs/dbraw/zinc/27/30/02/202273002.db2.gz	WNGSUDAZCMZXMR-UHFFFAOYSA-N	-2	0	332.377	3.134	1	30		EGEFRL
[O-]/N=C1\C/C(=N\[O-])c2c(Br)sc(Br)c21	ZINC000102954160	204056322	/nfs/dbraw/zinc/05/63/22/204056322.db2.gz	PUIUOZJBQWAZHU-NXOFHUPFSA-N	-2	0	339.996	3.033	1	30		EGEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781435	219106772	/nfs/dbraw/zinc/10/67/72/219106772.db2.gz	CZEMYYICWZPENF-XDQYEILZSA-N	-2	0	348.439	3.076	1	30	endogenous,in-man	EGEFRL
COc1c(C)c([O-])c(C(=O)C=C([O-])c2ccccc2)c(O)c1C=O	ZINC000101135071	219117213	/nfs/dbraw/zinc/11/72/13/219117213.db2.gz	FYPNXPAVVGQFNL-JYRVWZFOSA-N	-2	0	328.320	3.009	1	30	biogenic,in-vitro	EGEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000071756381	571780442	/nfs/dbraw/zinc/78/04/42/571780442.db2.gz	CZEMYYICWZPENF-AAZDQIMRSA-N	-2	0	348.439	3.076	1	30	endogenous,in-man	EGEFRL
O=C([O-])c1ccc2ccc(C([O-])=CC(=O)c3ccccc3)nc2c1O	ZINC000101001276	219113900	/nfs/dbraw/zinc/11/39/00/219113900.db2.gz	JJXBOVFTGRZPSQ-GDNBJRDFSA-N	-2	0	335.315	3.420	1	30		EGEFRL
C=CC(C)(C)c1c([O-])c2c(O)c3ccc([O-])c(O)c3oc-2cc1=O	ZINC000013412058	560216573	/nfs/dbraw/zinc/21/65/73/560216573.db2.gz	AIUQKYDJHSRTBI-UHFFFAOYSA-N	-2	0	328.320	3.232	1	30	biogenic,in-vitro	EGEFRL
O=C([O-])c1c(CCS)c2ccccc2n1-c1cccc(C(=O)[O-])c1	ZINC000034269657	202272375	/nfs/dbraw/zinc/27/23/75/202272375.db2.gz	HQQONYRIGPJMCN-UHFFFAOYSA-N	-2	0	341.388	3.499	1	30		EGEFRL
C=CC(C)(C)c1c(=O)cc([O-])c2c(O)c3cc(O)c([O-])cc3oc1-2	ZINC000015121024	560228725	/nfs/dbraw/zinc/22/87/25/560228725.db2.gz	FJCLLPPQHWALHG-UHFFFAOYSA-N	-2	0	328.320	3.232	1	30	biogenic,in-vitro	EGEFRL
O=C([O-])C(=O)C=C([O-])c1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000101031257	204001268	/nfs/dbraw/zinc/00/12/68/204001268.db2.gz	XEPABNKDQLQPER-MFOYZWKCSA-N	-2	0	339.322	3.381	1	30		EGEFRL
C=CC(C)(C)c1cc(O)c(=O)c2c([O-])c3ccc([O-])c(O)c3oc1-2	ZINC000015121016	560228757	/nfs/dbraw/zinc/22/87/57/560228757.db2.gz	ZBJZNRJIJCYESW-UHFFFAOYSA-N	-2	0	328.320	3.232	1	30	biogenic,in-vitro	EGEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000071756388	571780499	/nfs/dbraw/zinc/78/04/99/571780499.db2.gz	CZEMYYICWZPENF-JIKVDDATSA-N	-2	0	348.439	3.076	1	30	endogenous,in-man	EGEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781433	219106573	/nfs/dbraw/zinc/10/65/73/219106573.db2.gz	CZEMYYICWZPENF-BKQVNXHBSA-N	-2	0	348.439	3.076	1	30	endogenous,in-man	EGEFRL
CC1=C(C#N)C(=O)[N-]C(=O)C1=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000101776493	219163658	/nfs/dbraw/zinc/16/36/58/219163658.db2.gz	LGYNOESEQBFYSN-VHEBQXMUSA-N	-2	0	332.703	3.440	1	30		EGEFRL