smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])C2=O)cc1	ZINC000013897836	556330270	/nfs/dbraw/zinc/33/02/70/556330270.db2.gz	GYKUKBKKLPETCS-DHDCSXOGSA-N	-2	1	427.369	1.947	50	10		IDCAML
O=C([O-])CCn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(-c2cccc(Br)c2)n1	ZINC000004483876	555996879	/nfs/dbraw/zinc/99/68/79/555996879.db2.gz	OFWJRKOYACGVQC-UHFFFAOYSA-N	-2	1	449.286	1.702	50	10		IDCAML
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000013802110	556310859	/nfs/dbraw/zinc/31/08/59/556310859.db2.gz	AYBKOEILJPRIMB-UHFFFAOYSA-N	-2	1	446.153	1.353	50	10		IDCAML
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000013802110	556310861	/nfs/dbraw/zinc/31/08/61/556310861.db2.gz	AYBKOEILJPRIMB-UHFFFAOYSA-N	-2	1	446.153	1.353	50	10		IDCAML
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000015226342	557460547	/nfs/dbraw/zinc/46/05/47/557460547.db2.gz	CEINEIRBFHGXDK-UHFFFAOYSA-N	-2	1	429.248	1.226	50	10		IDCAML
O=C([O-])COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000002228740	555760278	/nfs/dbraw/zinc/76/02/78/555760278.db2.gz	RBMZBSFQWRDTEL-UHFFFAOYSA-N	-2	1	448.023	1.424	50	10		IDCAML
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000002228740	555760280	/nfs/dbraw/zinc/76/02/80/555760280.db2.gz	RBMZBSFQWRDTEL-UHFFFAOYSA-N	-2	1	448.023	1.424	50	10		IDCAML
O=C([O-])CCn1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(-c2ccc(Br)cc2)n1	ZINC000008829838	556225168	/nfs/dbraw/zinc/22/51/68/556225168.db2.gz	WJTRPDBFQYZKSK-UHFFFAOYSA-N	-2	1	433.218	1.537	50	10		IDCAML
O=C([O-])CCn1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(-c2ccc(Br)cc2)n1	ZINC000008829838	556225170	/nfs/dbraw/zinc/22/51/70/556225170.db2.gz	WJTRPDBFQYZKSK-UHFFFAOYSA-N	-2	1	433.218	1.537	50	10		IDCAML
CC(C)c1ccc(N2C(=O)C(=CN[C@H](Cc3cnc[nH]3)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000020358693	557011772	/nfs/dbraw/zinc/01/17/72/557011772.db2.gz	KTAFVAYRGTYUSS-HTRKUNOGSA-N	-2	1	427.486	1.450	50	10		IDCAML
CC(C)c1ccc(N2C(=O)C(=CN[C@@H](Cc3cnc[nH]3)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000020358691	557011789	/nfs/dbraw/zinc/01/17/89/557011789.db2.gz	KTAFVAYRGTYUSS-LRQZKABGSA-N	-2	1	427.486	1.450	50	10		IDCAML
O=C([O-])CCn1cc(/C=C2/C(=O)NC(=S)N=C2[O-])c(-c2cc3ccccc3oc2=O)n1	ZINC000020138087	556576660	/nfs/dbraw/zinc/57/66/60/556576660.db2.gz	LJKVWAWDRLURJW-UHFFFAOYSA-N	-2	1	438.421	1.886	50	10		IDCAML