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-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834044161	605722447	/nfs/dbraw/zinc/72/24/47/605722447.db2.gz	AHOSKOAVRSSOED-SMDDNHRTSA-N	-2	1	365.817	3.074	20	50		FGGDML
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834044158	605722644	/nfs/dbraw/zinc/72/26/44/605722644.db2.gz	AHOSKOAVRSSOED-BXUZGUMPSA-N	-2	1	365.817	3.074	20	50		FGGDML
O=C([O-])Nc1ccc(C(=O)NNc2cccc(Br)c2)c([O-])c1	ZINC000834255220	605751512	/nfs/dbraw/zinc/75/15/12/605751512.db2.gz	HVHGDYDVQISVHR-UHFFFAOYSA-N	-2	1	366.171	3.002	20	50		FGGDML
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc2ccccc2cc1[O-]	ZINC000824760891	605457180	/nfs/dbraw/zinc/45/71/80/605457180.db2.gz	YZVYCTAXCMPAIK-HNNXBMFYSA-N	-2	1	355.394	3.184	20	50		FGGDML
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc2ccccc2cc1[O-]	ZINC000824760892	605458486	/nfs/dbraw/zinc/45/84/86/605458486.db2.gz	YZVYCTAXCMPAIK-OAHLLOKOSA-N	-2	1	355.394	3.184	20	50		FGGDML
O=C([O-])Nc1ccc(C(=O)NNc2ccccc2Br)c([O-])c1	ZINC000834257844	605764078	/nfs/dbraw/zinc/76/40/78/605764078.db2.gz	PUFLDMJSAOLSKY-UHFFFAOYSA-N	-2	1	366.171	3.002	20	50		FGGDML
O=C([O-])Nc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c([O-])c1	ZINC000834258505	606014173	/nfs/dbraw/zinc/01/41/73/606014173.db2.gz	XPRSKPSUIPSHOQ-UHFFFAOYSA-N	-2	1	373.262	3.397	20	50		FGGDML
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834044160	605722625	/nfs/dbraw/zinc/72/26/25/605722625.db2.gz	AHOSKOAVRSSOED-RISCZKNCSA-N	-2	1	365.817	3.074	20	50		FGGDML
O=C([O-])Nc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c([O-])c1	ZINC000834257995	605666255	/nfs/dbraw/zinc/66/62/55/605666255.db2.gz	RPLMSHPBQUMVJZ-UHFFFAOYSA-N	-2	1	355.272	3.258	20	50		FGGDML
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834044159	605722527	/nfs/dbraw/zinc/72/25/27/605722527.db2.gz	AHOSKOAVRSSOED-FZMZJTMJSA-N	-2	1	365.817	3.074	20	50		FGGDML
O=C([O-])Nc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c([O-])c1	ZINC000832839015	604771578	/nfs/dbraw/zinc/77/15/78/604771578.db2.gz	OXANMCKIWVRMRV-UHFFFAOYSA-N	-2	1	371.271	3.138	20	50		FGGDML