smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]C1=CC(c2ccco2)C=C([O-])C1c1cc(O)c2ccccc2n1	ZINC000017071636	182074671	/nfs/dbraw/zinc/07/46/71/182074671.db2.gz	YLQZUSQZXGJVPC-UHFFFAOYSA-N	-2	3	321.332	3.574	40	30		DHEBHL
O=C([O-])c1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1O	ZINC000409179936	257221280	/nfs/dbraw/zinc/22/12/80/257221280.db2.gz	QJOZHTNUFUJMQM-VXLYETTFSA-N	-2	3	307.305	3.700	40	30		DHEBHL
O=C([O-])c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1O	ZINC000004673351	181134866	/nfs/dbraw/zinc/13/48/66/181134866.db2.gz	CAUZUHMPSMJJJC-VXLYETTFSA-N	-2	3	307.305	3.700	40	30		DHEBHL
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc([O-])cc2)c1	ZINC000409100990	257222959	/nfs/dbraw/zinc/22/29/59/257222959.db2.gz	WIGNSTWWSMQHDZ-XDHOZWIPSA-N	-2	3	306.321	3.632	40	30		DHEBHL
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc([O-])cc2)cc1	ZINC000408933436	257225146	/nfs/dbraw/zinc/22/51/46/257225146.db2.gz	JQFWZVKLFUYRDQ-XDHOZWIPSA-N	-2	3	306.321	3.632	40	30		DHEBHL
[O-]c1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001252123	563281005	/nfs/dbraw/zinc/28/10/05/563281005.db2.gz	ZSGVLIPSSPRBLH-YBEGLDIGSA-N	-2	3	302.403	3.576	40	30		DHEBHL
[O-]c1ccc(Cl)cc1/C=N/N=C\c1cc(Cl)ccc1[O-]	ZINC000005543199	181255141	/nfs/dbraw/zinc/25/51/41/181255141.db2.gz	UOUUHDVBBGLSHK-ZZDPWUPLSA-N	-2	3	309.152	3.858	40	30		DHEBHL
O=C([O-])c1cccc(/N=C/c2cc(Br)ccc2[O-])c1	ZINC000016386072	331566804	/nfs/dbraw/zinc/56/68/04/331566804.db2.gz	COZKVSWECCNMFH-LZYBPNLTSA-N	-2	3	320.142	3.604	40	30		DHEBHL
Cc1ccc([O-])c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000003084551	563941916	/nfs/dbraw/zinc/94/19/16/563941916.db2.gz	CVPXSTMLWROPSP-FRKPEAEDSA-N	-2	3	306.705	3.718	40	30		DHEBHL
[O-]c1ccc(Cl)cc1/C=N\N=C/c1cc(Cl)ccc1[O-]	ZINC000017164575	182077534	/nfs/dbraw/zinc/07/75/34/182077534.db2.gz	UOUUHDVBBGLSHK-MZAUSLISSA-N	-2	3	309.152	3.858	40	30		DHEBHL
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccccc2[O-])cc1	ZINC000409222324	257220878	/nfs/dbraw/zinc/22/08/78/257220878.db2.gz	WRLCZNVERUPHBM-UNOMPAQXSA-N	-2	3	306.321	3.632	40	30		DHEBHL
[O-]c1ccc([S+](c2ccc([O-])cc2)c2ccc([O-])cc2)cc1	ZINC000004963136	256517574	/nfs/dbraw/zinc/51/75/74/256517574.db2.gz	XUWXFPUSCUUNPR-UHFFFAOYSA-O	-2	3	311.382	3.899	40	30		DHEBHL
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccccc2[O-])c1	ZINC000409117208	257222075	/nfs/dbraw/zinc/22/20/75/257222075.db2.gz	NTWKPYVDVDFBNJ-UNOMPAQXSA-N	-2	3	306.321	3.632	40	30		DHEBHL
[O-]c1ccc(Cl)cc1/C=N/N=C/c1cc(Cl)ccc1[O-]	ZINC000001603541	563287480	/nfs/dbraw/zinc/28/74/80/563287480.db2.gz	UOUUHDVBBGLSHK-ZEELXFFVSA-N	-2	3	309.152	3.858	40	30		DHEBHL
Cc1ccc(C2=C([O-])C([O-])=C(c3ccc(C)cc3)C(=O)C2=O)cc1	ZINC000001711016	563924886	/nfs/dbraw/zinc/92/48/86/563924886.db2.gz	QUOHQFDAFULRSX-UHFFFAOYSA-N	-2	3	320.344	3.694	40	30		DHEBHL