smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(F)c1C(=O)[N-]NC(=O)[O-]	ZINC000829565400	603628559	/nfs/dbraw/zinc/62/85/59/603628559.db2.gz	VBXCVTSTUYZPEO-UHFFFAOYSA-N	-2	1	228.179	0.747	20	50		BCGDML
O=C([O-])N[N-]C(=O)c1cc(Cl)ccn1	ZINC000832748287	605187227	/nfs/dbraw/zinc/18/72/27/605187227.db2.gz	GJKQWJWRLXBFCS-UHFFFAOYSA-N	-2	1	215.596	0.647	20	50		BCGDML
O=C([O-])N[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000832748965	605188525	/nfs/dbraw/zinc/18/85/25/605188525.db2.gz	YCBPTWGNOMRYES-UHFFFAOYSA-N	-2	1	225.160	0.507	20	50		BCGDML
O=C([O-])N[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000832748617	603936566	/nfs/dbraw/zinc/93/65/66/603936566.db2.gz	NOJPFGGDQZRNRK-UHFFFAOYSA-N	-2	1	243.150	0.646	20	50		BCGDML
O=C([O-])NNC(=O)c1cc(F)ccc1[O-]	ZINC000832748036	603472073	/nfs/dbraw/zinc/47/20/73/603472073.db2.gz	BTXBECJGMYHYDH-UHFFFAOYSA-N	-2	1	214.152	0.444	20	50		BCGDML
O=C([O-])N[N-]C(=O)c1ccnc(Cl)c1F	ZINC000834249890	605811032	/nfs/dbraw/zinc/81/10/32/605811032.db2.gz	ACSWCSFCVIVFRX-UHFFFAOYSA-N	-2	1	233.586	0.787	20	50		BCGDML
O=C([O-])NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12	ZINC000834250477	606003217	/nfs/dbraw/zinc/00/32/17/606003217.db2.gz	JIZVSQBZPKXMBG-UHFFFAOYSA-N	-2	1	248.198	0.863	20	50		BCGDML
Cc1nc(C(=O)[N-]NC(=O)[O-])c(C)s1	ZINC000833912582	605846984	/nfs/dbraw/zinc/84/69/84/605846984.db2.gz	LZFLERFTDJHZBU-UHFFFAOYSA-N	-2	1	215.234	0.672	20	50		BCGDML