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-])c1cc([N-]S(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000008396681	554571495	/nfs/dbraw/zinc/57/14/95/554571495.db2.gz	ZACJTYZXZNARNY-UHFFFAOYSA-N	-3	1	471.447	3.404	50	5		JGBAML
CC1CCN(c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2[N+](=O)[O-])CC1	ZINC000008666884	562948976	/nfs/dbraw/zinc/94/89/76/562948976.db2.gz	QVBAQHGBYLROFX-UHFFFAOYSA-N	-3	1	463.468	3.028	50	5		JGBAML
CCCOc1c(I)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000009234835	555008779	/nfs/dbraw/zinc/00/87/79/555008779.db2.gz	PVZOJKPVYZUZRF-AATRIKPKSA-N	-2	1	487.250	3.346	50	5		JGBAML
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000035544382	569702409	/nfs/dbraw/zinc/70/24/09/569702409.db2.gz	RPWBZPHMTVYZPA-UHFFFAOYSA-N	-2	1	456.432	3.141	50	5		JGBAML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)c1C	ZINC000058148032	569602203	/nfs/dbraw/zinc/60/22/03/569602203.db2.gz	JHKOKTIMVQXAJD-UHFFFAOYSA-N	-2	1	451.526	3.264	50	5		JGBAML
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2nonc21	ZINC000022589842	527341179	/nfs/dbraw/zinc/34/11/79/527341179.db2.gz	DWCZGRFWEDLSEB-UHFFFAOYSA-N	-2	1	463.413	3.040	50	5		JGBAML
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000009083286	554888299	/nfs/dbraw/zinc/88/82/99/554888299.db2.gz	HCHWRKAOKSVMJB-UHFFFAOYSA-N	-2	1	485.474	3.102	50	5		JGBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1ccccn1	ZINC000013945544	555657502	/nfs/dbraw/zinc/65/75/02/555657502.db2.gz	XFQULFDAJMYJFS-AATRIKPKSA-N	-2	1	475.255	3.299	50	5		JGBAML