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-])COc1ccccc1/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000023380900	182359481	/nfs/dbraw/zinc/35/94/81/182359481.db2.gz	JLLSAJHCWDHSMI-UHFFFAOYSA-N	-2	1	306.299	0.905	40	10		DCCBML
O=C([O-])COc1ccccc1/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000023380900	182359483	/nfs/dbraw/zinc/35/94/83/182359483.db2.gz	JLLSAJHCWDHSMI-UHFFFAOYSA-N	-2	1	306.299	0.905	40	10		DCCBML
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000023380900	182359484	/nfs/dbraw/zinc/35/94/84/182359484.db2.gz	JLLSAJHCWDHSMI-UHFFFAOYSA-N	-2	1	306.299	0.905	40	10		DCCBML
C[C@H](Oc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O)C(=O)[O-]	ZINC000409188056	239275207	/nfs/dbraw/zinc/27/52/07/239275207.db2.gz	FLFHCWPDOGWFPL-ZETCQYMHSA-N	-2	1	320.326	0.453	40	10		DCCBML
CCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1C(=O)[O-]	ZINC000006439739	181341377	/nfs/dbraw/zinc/34/13/77/181341377.db2.gz	SLONHTVJPWMCQY-UHFFFAOYSA-N	-2	1	320.326	0.698	40	10		DCCBML
C[C@@H](Oc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O)C(=O)[O-]	ZINC000409188051	296209901	/nfs/dbraw/zinc/20/99/01/296209901.db2.gz	FLFHCWPDOGWFPL-SSDOTTSWSA-N	-2	1	320.326	0.453	40	10		DCCBML
CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000006578459	395682924	/nfs/dbraw/zinc/68/29/24/395682924.db2.gz	YXROEPPVLIAPEE-QPJJXVBHSA-N	-2	1	307.287	0.557	40	10		DCCBML
Nc1nc(N)c(N=Nc2ccccc2S(=O)(=O)[O-])c(=O)[n-]1	ZINC000004878902	395682685	/nfs/dbraw/zinc/68/26/85/395682685.db2.gz	XWJYBILNVJIMPH-FOCLMDBBSA-N	-2	1	310.295	0.596	40	10		DCCBML