smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(O)C[C@H](O)c1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@@H]1OC=C[C@@]41O	ZINC000106715903	291331036	/nfs/dbraw/zinc/33/10/36/291331036.db2.gz	DTAYYQSEJFBYEB-LJFLUMBXSA-N	-2	3	428.393	2.002	10	5		IEBEHL
CC(C)(O)C[C@H](O)c1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@@H]1OC=C[C@@]41O	ZINC000106715903	291331039	/nfs/dbraw/zinc/33/10/39/291331039.db2.gz	DTAYYQSEJFBYEB-LJFLUMBXSA-N	-2	3	428.393	2.002	10	5		IEBEHL
CC(C)(O)C[C@H](O)c1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@H]1OC=C[C@@]41O	ZINC000035458932	519364638	/nfs/dbraw/zinc/36/46/38/519364638.db2.gz	DTAYYQSEJFBYEB-KXCAIWMCSA-N	-2	3	428.393	2.002	10	5		IEBEHL
CC(C)(O)C[C@H](O)c1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@H]1OC=C[C@@]41O	ZINC000035458932	519364653	/nfs/dbraw/zinc/36/46/53/519364653.db2.gz	DTAYYQSEJFBYEB-KXCAIWMCSA-N	-2	3	428.393	2.002	10	5		IEBEHL
CC(C)(O)C[C@H](O)c1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@H]1OC=C[C@]41O	ZINC000031164808	291331019	/nfs/dbraw/zinc/33/10/19/291331019.db2.gz	DTAYYQSEJFBYEB-AUJNIPSBSA-N	-2	3	428.393	2.002	10	5		IEBEHL
CC(C)(O)C[C@H](O)c1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@H]1OC=C[C@]41O	ZINC000031164808	291331022	/nfs/dbraw/zinc/33/10/22/291331022.db2.gz	DTAYYQSEJFBYEB-AUJNIPSBSA-N	-2	3	428.393	2.002	10	5		IEBEHL
O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000198715348	569209300	/nfs/dbraw/zinc/20/93/00/569209300.db2.gz	ZTTOFJATBBFLPX-UHFFFAOYSA-N	-2	3	442.438	2.286	10	5		IEBEHL