smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000068562355	357650136	/nfs/dbraw/zinc/65/01/36/357650136.db2.gz	JYFCLDYFUZZUIE-XBFWFABISA-N	-2	0	281.318	1.943	40	10		CDCBRL
O=C([O-])c1ccccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000245239520	361872738	/nfs/dbraw/zinc/87/27/38/361872738.db2.gz	JYFCLDYFUZZUIE-QMMMGPOBSA-N	-2	0	281.318	1.943	40	10		CDCBRL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)s1	ZINC000072932909	304231836	/nfs/dbraw/zinc/23/18/36/304231836.db2.gz	OIIPLRJAHWOWLM-UHFFFAOYSA-N	-2	0	266.234	1.036	40	10		CDCBRL
O=C([O-])CCSN=Nc1nc2nc[nH]c(=O)c2[n-]1	ZINC000008615297	170342824	/nfs/dbraw/zinc/34/28/24/170342824.db2.gz	SNBFIIAFNLYJFB-YPKPFQOOSA-N	-2	0	268.258	1.265	40	10		CDCBRL
O=C1c2ccccc2C(=O)c2c1cccc2P(=O)([O-])[O-]	ZINC000022113149	356600099	/nfs/dbraw/zinc/60/00/99/356600099.db2.gz	NNRUIHHKOIYTEO-UHFFFAOYSA-N	-2	0	288.195	1.265	40	10		CDCBRL
O=C([O-])c1ccccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000100371224	358828705	/nfs/dbraw/zinc/82/87/05/358828705.db2.gz	JYFCLDYFUZZUIE-POSNJMFHSA-N	-2	0	281.318	1.943	40	10		CDCBRL
O=C([O-])c1ccccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000100371222	358828616	/nfs/dbraw/zinc/82/86/16/358828616.db2.gz	JYFCLDYFUZZUIE-PSISUFTRSA-N	-2	0	281.318	1.943	40	10		CDCBRL
O=C(C(=O)c1ccc(O)cc1[O-])c1ccc(O)cc1[O-]	ZINC000001587804	390139999	/nfs/dbraw/zinc/13/99/99/390139999.db2.gz	NGWYJYHAFLMHNW-UHFFFAOYSA-N	-2	0	274.228	1.575	40	10	biogenic,in-vitro	CDCBRL
O=C([O-])c1ccccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000245239519	361873115	/nfs/dbraw/zinc/87/31/15/361873115.db2.gz	JYFCLDYFUZZUIE-MRVPVSSYSA-N	-2	0	281.318	1.943	40	10		CDCBRL
O=C([O-])c1ccc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O	ZINC000005699368	304254009	/nfs/dbraw/zinc/25/40/09/304254009.db2.gz	QQPQYWGNVMIGAF-UHFFFAOYSA-N	-2	0	296.234	1.858	40	10		CDCBRL
O=C([O-])c1ccccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000068562360	357650513	/nfs/dbraw/zinc/65/05/13/357650513.db2.gz	JYFCLDYFUZZUIE-HFNCJKPHSA-N	-2	0	281.318	1.943	40	10		CDCBRL