smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001536109	194127480	/nfs/dbraw/zinc/12/74/80/194127480.db2.gz	OGSBUKJUDHAQEA-HOCLYGCPSA-N	-2	0	477.481	0.982	50	30	fda	JCEARL
CCOC(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-]CC(=O)OCC	ZINC000008399509	554574675	/nfs/dbraw/zinc/57/46/75/554574675.db2.gz	ITFIMZSQTPYEAS-UHFFFAOYSA-N	-2	0	460.274	0.886	50	30		JCEARL
O=C([O-])CSC1=C(SCC(=O)[O-])C(=O)C(SCC(=O)[O-])=C(SCC(=O)[O-])C1=O	ZINC000008417358	554579249	/nfs/dbraw/zinc/57/92/49/554579249.db2.gz	UHYAMQHNYHIPBZ-UHFFFAOYSA-N	-4	0	468.508	0.833	50	30		JCEARL
C#CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000011616925	555791943	/nfs/dbraw/zinc/79/19/43/555791943.db2.gz	OGSBUKJUDHAQEA-ZBFHGGJFSA-N	-2	0	477.481	0.982	50	30	fda	JCEARL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c([O-])c([N+](=O)[O-])ccc4C[C@H]3C[C@@H]12	ZINC000013736631	555606394	/nfs/dbraw/zinc/60/63/94/555606394.db2.gz	IEJWCNPEOOQYLP-CROFIWJMSA-N	-2	0	459.411	0.029	50	30	in-vitro	JCEARL
CC(C)[C@H](NC(=O)[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C(=O)[O-])C(C)C)cc1)C(=O)[O-]	ZINC000020503717	519819160	/nfs/dbraw/zinc/81/91/60/519819160.db2.gz	GIRZSOICQMUWHA-GJZGRUSLSA-N	-3	0	472.520	0.897	50	30		JCEARL
[O-]N=C1c2nn(/N=C/c3ccc(O)cc3O)nc2C(=N[O-])c2nn(/N=C/c3ccc(O)cc3O)nc21	ZINC000104246515	1068027636	/nfs/dbraw/zinc/02/76/36/1068027636.db2.gz	NOSFAGZCNDTRCO-HHKWAPLISA-N	-2	0	490.396	0.223	50	30		JCEARL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NCC(=O)[O-])C1=O)O2	ZINC000253403367	570096881	/nfs/dbraw/zinc/09/68/81/570096881.db2.gz	HCZPZJDWYSBCSP-OZOJFGJPSA-N	-2	0	458.423	0.359	50	30	biogenic	JCEARL