smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1cccc(/C=N/[O-])c1)C1=CC=C[CH]1	ZINC001226114603	974796106	/nfs/dbraw/zinc/79/61/06/974796106.db2.gz	MXSODINKUPLCNR-KBVGCWLLSA-N	-2	3	228.271	2.962	20	30		BFEDHL
O=C([O-])c1ccc(-c2cccc(/C=N/[O-])c2)s1	ZINC001240846987	981884516	/nfs/dbraw/zinc/88/45/16/981884516.db2.gz	HHLWZUOZFCFADY-NTUHNPAUSA-N	-2	3	247.275	2.921	20	30		BFEDHL
O=C([O-])c1cccc(-c2ccccc2C=N[O-])c1	ZINC001241361831	982518440	/nfs/dbraw/zinc/51/84/40/982518440.db2.gz	IKEMUIWPUSZDRV-UHFFFAOYSA-N	-2	3	241.246	2.860	20	30		BFEDHL
CCCCC[C@H](/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000829311833	587492538	/nfs/dbraw/zinc/49/25/38/587492538.db2.gz	MODUJTRWAWLTJC-XBUHWIKASA-N	-2	3	249.310	2.845	20	30		BFEDHL
C[C@H](Oc1cc(C#N)ccc1[O-])C1=CC=C[CH]1	ZINC001227348736	975369571	/nfs/dbraw/zinc/36/95/71/975369571.db2.gz	BSDNFXXIKDMJCW-JTQLQIEISA-N	-2	3	226.255	2.732	20	30		BFEDHL
CC(C)C[C@@H](C/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000736404083	585000852	/nfs/dbraw/zinc/00/08/52/585000852.db2.gz	PXBCFBNLQZJNCU-AAWHYMEISA-N	-2	3	249.310	2.558	20	30		BFEDHL
C[C@@H](Oc1cccc(/C=N/[O-])c1)C1=CC=C[CH]1	ZINC001226114602	974795128	/nfs/dbraw/zinc/79/51/28/974795128.db2.gz	MXSODINKUPLCNR-HGLKBHAMSA-N	-2	3	228.271	2.962	20	30		BFEDHL
O=C([O-])c1cc(-c2cccc(/C=N/[O-])c2)cs1	ZINC001206291654	968196275	/nfs/dbraw/zinc/19/62/75/968196275.db2.gz	WNRIIWZAJYWICM-AWNIVKPZSA-N	-2	3	247.275	2.921	20	30		BFEDHL
CC(C)C[C@H](C/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000736404084	585000746	/nfs/dbraw/zinc/00/07/46/585000746.db2.gz	PXBCFBNLQZJNCU-AZZDOICSSA-N	-2	3	249.310	2.558	20	30		BFEDHL
CC(C)C[C@@H](C/N=C\c1ccccc1[O-])C(=O)[O-]	ZINC000736404085	585000798	/nfs/dbraw/zinc/00/07/98/585000798.db2.gz	PXBCFBNLQZJNCU-IYVNWDGISA-N	-2	3	249.310	2.558	20	30		BFEDHL
CCCCC[C@@H](/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000829311831	587492145	/nfs/dbraw/zinc/49/21/45/587492145.db2.gz	MODUJTRWAWLTJC-JXCQQFQQSA-N	-2	3	249.310	2.845	20	30		BFEDHL
O=C([O-])c1sccc1-c1ccccc1C=N[O-]	ZINC001205614328	967728600	/nfs/dbraw/zinc/72/86/00/967728600.db2.gz	MSFDFXRQAIHEDI-UHFFFAOYSA-N	-2	3	247.275	2.921	20	30		BFEDHL
O=C([O-])c1cc(-c2ccccc2C=N[O-])cs1	ZINC001206304039	978360900	/nfs/dbraw/zinc/36/09/00/978360900.db2.gz	YGCLOSOHKVXJNP-UHFFFAOYSA-N	-2	3	247.275	2.921	20	30		BFEDHL
O=C([O-])c1ccc(-c2ccccc2C=N[O-])s1	ZINC001240849498	981887919	/nfs/dbraw/zinc/88/79/19/981887919.db2.gz	RMTIJEVOWLBJQI-UHFFFAOYSA-N	-2	3	247.275	2.921	20	30		BFEDHL
CCCCN([O-])C(=O)c1cccc(Cl)c1[O-]	ZINC000904212088	584854717	/nfs/dbraw/zinc/85/47/17/584854717.db2.gz	IVDLYYPKXYBUJA-UHFFFAOYSA-N	-2	3	243.690	2.677	20	30		BFEDHL
CCCCC[C@H](/N=C\c1ccccc1[O-])C(=O)[O-]	ZINC000829311830	587492163	/nfs/dbraw/zinc/49/21/63/587492163.db2.gz	MODUJTRWAWLTJC-GQVHDAKQSA-N	-2	3	249.310	2.845	20	30		BFEDHL
CCCCC[C@@H](/N=C\c1ccccc1[O-])C(=O)[O-]	ZINC000829311828	587492155	/nfs/dbraw/zinc/49/21/55/587492155.db2.gz	MODUJTRWAWLTJC-DYTQJMLRSA-N	-2	3	249.310	2.845	20	30		BFEDHL