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-])C/C(=C\c1ccc(F)cc1F)c1nc2ccccc2s1	ZINC000212820940	241091671	/nfs/dbraw/zinc/09/16/71/241091671.db2.gz	PIXATEQTKIPQML-YRNVUSSQSA-N	-1	0	331.343	4.590	20	0		EJADRM
COc1ccccc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1	ZINC000213963337	241097085	/nfs/dbraw/zinc/09/70/85/241097085.db2.gz	HYIRGTJKFHLGDX-OWBHPGMISA-N	-1	0	339.416	4.710	20	0		EJADRM
COc1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1	ZINC000111680332	220178382	/nfs/dbraw/zinc/17/83/82/220178382.db2.gz	QWVSJLUUVOILAI-OWBHPGMISA-N	-1	0	339.416	4.710	20	0		EJADRM
O=C([O-])c1cccc(-c2nc(-c3ccccc3OC(F)F)cs2)c1	ZINC000064671696	214799948	/nfs/dbraw/zinc/79/99/48/214799948.db2.gz	DACFWXCLCOPWBE-UHFFFAOYSA-N	-1	0	347.342	4.777	20	0		EJADRM
COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000065355120	214873007	/nfs/dbraw/zinc/87/30/07/214873007.db2.gz	GXSSWJGSVJCVDS-UHFFFAOYSA-N	-1	0	330.689	4.733	20	0		EJADRM
O=C([O-])CC/C(=C/c1ccc(F)cc1F)c1nc2ccccc2s1	ZINC000213208084	241094545	/nfs/dbraw/zinc/09/45/45/241094545.db2.gz	KWEOIVHWASBEAR-XFXZXTDPSA-N	-1	0	345.370	4.980	20	0		EJADRM
O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(Cl)sc1Cl	ZINC000020626978	212157426	/nfs/dbraw/zinc/15/74/26/212157426.db2.gz	IZWZOHJSVCALML-UHFFFAOYSA-N	-1	0	342.656	4.509	20	0		EJADRM
CCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1	ZINC000213091248	241091845	/nfs/dbraw/zinc/09/18/45/241091845.db2.gz	VYIUBXDVIBVBRW-KAMYIIQDSA-N	-1	0	339.416	4.710	20	0		EJADRM
O=C([O-])COc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1	ZINC000023217039	212361381	/nfs/dbraw/zinc/36/13/81/212361381.db2.gz	NRSRWEPLLCKDEE-FPYGCLRLSA-N	-1	0	345.807	4.584	20	0		EJADRM
O=C([O-])C/C(=C\c1cccc(Cl)c1)c1nc2ccccc2s1	ZINC000005130998	210396849	/nfs/dbraw/zinc/39/68/49/210396849.db2.gz	PLTBKCDIILQQLD-XYOKQWHBSA-N	-1	0	329.808	4.965	20	0		EJADRM
CC(C)c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1	ZINC000069110881	215360350	/nfs/dbraw/zinc/36/03/50/215360350.db2.gz	BQPKIVPFSVADLX-UHFFFAOYSA-N	-1	0	343.370	4.630	20	0		EJADRM
Cc1ccc(-c2c3c(nc(C)c2CC(=O)[O-])sc2c3CCC2)cc1	ZINC000022461560	202085014	/nfs/dbraw/zinc/08/50/14/202085014.db2.gz	ZEDPGULCPMKSMT-UHFFFAOYSA-N	-1	0	337.444	4.696	20	0		EJADRM
CSc1ccc(Nc2c3sncc3ccc2C(=O)[O-])c(F)c1	ZINC000098180957	219086644	/nfs/dbraw/zinc/08/66/44/219086644.db2.gz	PYMYNTOBYCEAPL-UHFFFAOYSA-N	-1	0	334.397	4.599	20	0		EJADRM