smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1[O-]	ZINC000000575684	566928760	/nfs/dbraw/zinc/92/87/60/566928760.db2.gz	JNNCXNKIRCERFJ-VCHYOVAHSA-N	-1	1	289.762	4.503	40	30		CJEBMM
CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1[O-]	ZINC000006958862	567077011	/nfs/dbraw/zinc/07/70/11/567077011.db2.gz	AXGHXYCVKAGHSD-VCHYOVAHSA-N	-1	1	289.762	4.503	40	30		CJEBMM
N#Cc1c([O-])cc(-c2ccc(Cl)cc2)cc1C(F)(F)F	ZINC000016158673	566935576	/nfs/dbraw/zinc/93/55/76/566935576.db2.gz	JTJAFFNQUGGOQN-UHFFFAOYSA-N	-1	1	297.663	4.603	40	30		CJEBMM
[O-]/N=C(/c1ccccc1)C1c2ccccc2-c2ccccc21	ZINC000022345673	171385580	/nfs/dbraw/zinc/38/55/80/171385580.db2.gz	HHOURJFXDJHIPT-MRCUWXFGSA-N	-1	1	285.346	4.677	40	30		CJEBMM
Cc1c(/C=N/c2ccc(Cl)cc2[O-])c2ccccc2n1C	ZINC000059248867	262387601	/nfs/dbraw/zinc/38/76/01/262387601.db2.gz	TUBPFVQYSMSJCU-VXLYETTFSA-N	-1	1	298.773	4.596	40	30		CJEBMM
CCCCc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1	ZINC000071617300	567901435	/nfs/dbraw/zinc/90/14/35/567901435.db2.gz	LFLVYHVGNKJGBV-ZROIWOOFSA-N	-1	1	280.367	4.631	40	30		CJEBMM
CCCCCCCCC(=O)c1ccc([O-])c2ncccc12	ZINC000100935816	519976259	/nfs/dbraw/zinc/97/62/59/519976259.db2.gz	ZVZOGNBUTBFUPZ-UHFFFAOYSA-N	-1	1	285.387	4.874	40	30		CJEBMM
Cc1ccc(COc2ccc3ccccc3c2/C=N/[O-])cc1	ZINC000103850379	230393428	/nfs/dbraw/zinc/39/34/28/230393428.db2.gz	BFWOLSHYMSHSGD-UDWIEESQSA-N	-1	1	291.350	4.535	40	30		CJEBMM
[O-]/N=C(\c1ccccc1)C1c2ccccc2-c2ccccc21	ZINC000104235110	567916511	/nfs/dbraw/zinc/91/65/11/567916511.db2.gz	HHOURJFXDJHIPT-QZQOTICOSA-N	-1	1	285.346	4.677	40	30		CJEBMM
CCCCCCCCOc1ccc(Cl)cc1/C=N\[O-]	ZINC000408541202	567849212	/nfs/dbraw/zinc/84/92/12/567849212.db2.gz	YIVAWXCDOMWJFX-ATVHPVEESA-N	-1	1	283.799	4.887	40	30		CJEBMM
[O-]c1cc(Cl)ccc1/N=C\c1cccn1-c1ccccc1	ZINC000408859984	567933502	/nfs/dbraw/zinc/93/35/02/567933502.db2.gz	WSBNFVUPPVYMKI-UNOMPAQXSA-N	-1	1	296.757	4.587	40	30		CJEBMM