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)NC1=O	ZINC000068562355	357650143	/nfs/dbraw/zinc/65/01/43/357650143.db2.gz	JYFCLDYFUZZUIE-XBFWFABISA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=N[C@H]1SC(=S)NC1=O	ZINC000068562355	357650147	/nfs/dbraw/zinc/65/01/47/357650147.db2.gz	JYFCLDYFUZZUIE-XBFWFABISA-N	-1	2	281.318	1.943	40	10		CDCBLM
Nc1ncnc2[nH]c(N=NSCCC(=O)[O-])nc21	ZINC000001682622	355946845	/nfs/dbraw/zinc/94/68/45/355946845.db2.gz	JTHFLGHXSPHRAP-CCEZHUSRSA-N	-1	2	267.274	1.142	40	10		CDCBLM
Nc1ncnc2[nH]c(/N=N\SCCC(=O)[O-])nc21	ZINC000017312808	356459063	/nfs/dbraw/zinc/45/90/63/356459063.db2.gz	JTHFLGHXSPHRAP-PFONDFGASA-N	-1	2	267.274	1.142	40	10		CDCBLM
O=C([O-])c1ccccc1N=NC1SC(=S)NC1=O	ZINC000245239520	361872742	/nfs/dbraw/zinc/87/27/42/361872742.db2.gz	JYFCLDYFUZZUIE-QMMMGPOBSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=N[C@H]1SC(=S)NC1=O	ZINC000245239520	361872745	/nfs/dbraw/zinc/87/27/45/361872745.db2.gz	JYFCLDYFUZZUIE-QMMMGPOBSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C1c2ccccc2C(=O)c2c1cccc2[P@](=O)([O-])O	ZINC000022113149	356600106	/nfs/dbraw/zinc/60/01/06/356600106.db2.gz	NNRUIHHKOIYTEO-UHFFFAOYSA-N	-1	2	288.195	1.265	40	10		CDCBLM
O=C1c2ccccc2C(=O)c2c1cccc2[P@@](=O)([O-])O	ZINC000022113149	356600108	/nfs/dbraw/zinc/60/01/08/356600108.db2.gz	NNRUIHHKOIYTEO-UHFFFAOYSA-N	-1	2	288.195	1.265	40	10		CDCBLM
O=C([O-])c1ccccc1N=NC1SC(=S)NC1=O	ZINC000100371224	358828708	/nfs/dbraw/zinc/82/87/08/358828708.db2.gz	JYFCLDYFUZZUIE-POSNJMFHSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=N[C@@H]1SC(=S)NC1=O	ZINC000100371224	358828710	/nfs/dbraw/zinc/82/87/10/358828710.db2.gz	JYFCLDYFUZZUIE-POSNJMFHSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=NC1SC(=S)NC1=O	ZINC000100371222	358828620	/nfs/dbraw/zinc/82/86/20/358828620.db2.gz	JYFCLDYFUZZUIE-PSISUFTRSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=N[C@H]1SC(=S)NC1=O	ZINC000100371222	358828625	/nfs/dbraw/zinc/82/86/25/358828625.db2.gz	JYFCLDYFUZZUIE-PSISUFTRSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=NC1SC(=S)NC1=O	ZINC000245239519	361873118	/nfs/dbraw/zinc/87/31/18/361873118.db2.gz	JYFCLDYFUZZUIE-MRVPVSSYSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=N[C@@H]1SC(=S)NC1=O	ZINC000245239519	361873124	/nfs/dbraw/zinc/87/31/24/361873124.db2.gz	JYFCLDYFUZZUIE-MRVPVSSYSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=NC1SC(=S)NC1=O	ZINC000068562360	357650516	/nfs/dbraw/zinc/65/05/16/357650516.db2.gz	JYFCLDYFUZZUIE-HFNCJKPHSA-N	-1	2	281.318	1.943	40	10		CDCBLM
O=C([O-])c1ccccc1N=N[C@@H]1SC(=S)NC1=O	ZINC000068562360	357650518	/nfs/dbraw/zinc/65/05/18/357650518.db2.gz	JYFCLDYFUZZUIE-HFNCJKPHSA-N	-1	2	281.318	1.943	40	10		CDCBLM