smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1	ZINC000031901262	525483469	/nfs/dbraw/zinc/48/34/69/525483469.db2.gz	JVPUENSYQZSVHP-OAHLLOKOSA-N	-2	1	378.406	1.589	40	30		GDEBML
Cc1ccc(S(=O)(=O)N=C([O-])N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1	ZINC000031901262	525483479	/nfs/dbraw/zinc/48/34/79/525483479.db2.gz	JVPUENSYQZSVHP-OAHLLOKOSA-N	-2	1	378.406	1.589	40	30		GDEBML
COc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])ncc1Cl	ZINC000026892983	530586684	/nfs/dbraw/zinc/58/66/84/530586684.db2.gz	XNXDHKLWTHKXAK-UHFFFAOYSA-N	-2	1	386.773	1.552	40	30		GDEBML
COc1nc(NC(=O)N=S(=O)([O-])c2ccccc2C(=O)[O-])ncc1Cl	ZINC000026892983	530586687	/nfs/dbraw/zinc/58/66/87/530586687.db2.gz	XNXDHKLWTHKXAK-UHFFFAOYSA-N	-2	1	386.773	1.552	40	30		GDEBML
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408918765	527228963	/nfs/dbraw/zinc/22/89/63/527228963.db2.gz	OSUHXUJWSWZKHX-KPKJPENVSA-N	-2	1	390.417	1.144	40	30		GDEBML
C=CCN1C(=O)/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409221029	526389797	/nfs/dbraw/zinc/38/97/97/526389797.db2.gz	JPQAUJRLTARAMV-JMZICWNOSA-N	-2	1	390.417	1.360	40	30		GDEBML
C=CCN1C(=O)/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409221030	526390099	/nfs/dbraw/zinc/39/00/99/526390099.db2.gz	JPQAUJRLTARAMV-WJEYQPDNSA-N	-2	1	390.417	1.360	40	30		GDEBML
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409070337	527234400	/nfs/dbraw/zinc/23/44/00/527234400.db2.gz	FMSVDVYQUWLAOV-UHFFFAOYSA-N	-2	1	390.417	1.192	40	30		GDEBML
COc1cc(OC)nc(NC(=O)N=S(=O)([O-])Cc2ccccc2C(=O)[O-])n1	ZINC000022005915	570384935	/nfs/dbraw/zinc/38/49/35/570384935.db2.gz	PPWBRCCBKOWDNB-UHFFFAOYSA-N	-2	1	396.381	1.048	40	30	in-vitro	GDEBML
COc1cc(OC)nc(NC([O-])=NS(=O)(=O)Cc2ccccc2C(=O)[O-])n1	ZINC000022005915	570384939	/nfs/dbraw/zinc/38/49/39/570384939.db2.gz	PPWBRCCBKOWDNB-UHFFFAOYSA-N	-2	1	396.381	1.048	40	30	in-vitro	GDEBML
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000002817715	570390865	/nfs/dbraw/zinc/39/08/65/570390865.db2.gz	LEEDAAQGAMPLNL-MJWAUXSNSA-N	-2	1	390.417	1.360	40	30		GDEBML
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000002817717	570395660	/nfs/dbraw/zinc/39/56/60/570395660.db2.gz	LEEDAAQGAMPLNL-ZDIKFAODSA-N	-2	1	390.417	1.360	40	30		GDEBML
C=CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)[N-]C1=S	ZINC000005661033	212081710	/nfs/dbraw/zinc/08/17/10/212081710.db2.gz	NMGFQMMLCYSCAY-UITAMQMPSA-N	-2	1	397.250	1.976	40	30		GDEBML