smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000002520868	194162133	/nfs/dbraw/zinc/16/21/33/194162133.db2.gz	UEABLHMLTZBUCF-UHFFFAOYSA-N	-2	1	474.437	-0.231	50	30		JBEAML
COc1c([C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc12	ZINC000021992923	521882600	/nfs/dbraw/zinc/88/26/00/521882600.db2.gz	OBVZFHXNNMIIRJ-HBCLNWRISA-N	-2	1	460.391	-0.272	50	30		JBEAML
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000095616382	569728261	/nfs/dbraw/zinc/72/82/61/569728261.db2.gz	USMLMJGLDDOVEI-LFJSWFSZSA-N	-2	1	459.455	-0.765	50	30		JBEAML
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000095616383	569728198	/nfs/dbraw/zinc/72/81/98/569728198.db2.gz	USMLMJGLDDOVEI-QOULFKOMSA-N	-2	1	459.455	-0.765	50	30		JBEAML
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000095616384	569728252	/nfs/dbraw/zinc/72/82/52/569728252.db2.gz	USMLMJGLDDOVEI-PLYBKPSTSA-N	-2	1	459.455	-0.765	50	30		JBEAML
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000095616385	569728237	/nfs/dbraw/zinc/72/82/37/569728237.db2.gz	USMLMJGLDDOVEI-HQBWBSHNSA-N	-2	1	459.455	-0.765	50	30		JBEAML