smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])C(=O)[O-])o2)c1	ZINC000408634194	569985066	/nfs/dbraw/zinc/98/50/66/569985066.db2.gz	RYDBOQIEWIZKAU-FRKPEAEDSA-N	-2	1	475.435	3.594	40	5		JHBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1ccc(OC(F)F)cc1	ZINC000408603790	569970098	/nfs/dbraw/zinc/97/00/98/569970098.db2.gz	HFLLYWUKCKZUTC-XCVCLJGOSA-N	-2	1	474.376	3.585	40	5		JHBBML
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000013969190	555666125	/nfs/dbraw/zinc/66/61/25/555666125.db2.gz	KTSPXCQLDCOQIN-UHFFFAOYSA-N	-2	1	461.521	3.813	40	5		JHBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1ccc(F)c(Cl)c1	ZINC000408609163	569972000	/nfs/dbraw/zinc/97/20/00/569972000.db2.gz	ZAROYQKPOPEWNT-FPYGCLRLSA-N	-2	1	460.805	3.776	40	5		JHBBML
Cc1cc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)ccc1Cl	ZINC000408605935	569971002	/nfs/dbraw/zinc/97/10/02/569971002.db2.gz	NOYPKVJVKAFTOI-RUDMXATFSA-N	-2	1	456.842	3.946	40	5		JHBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1ccccc1OC(F)F	ZINC000408606118	569971156	/nfs/dbraw/zinc/97/11/56/569971156.db2.gz	OEYQBWCFNYZFQT-JXMROGBWSA-N	-2	1	474.376	3.585	40	5		JHBBML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1ccccc1	ZINC000098031666	569749830	/nfs/dbraw/zinc/74/98/30/569749830.db2.gz	WVMFQQKAXSGMFK-FPLPWBNLSA-N	-2	1	474.267	3.904	40	5		JHBBML
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])n[nH]1	ZINC000408633386	569984425	/nfs/dbraw/zinc/98/44/25/569984425.db2.gz	YBJSWWRMGTZMJW-GIDUJCDVSA-N	-2	1	478.870	3.974	40	5		JHBBML
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n1	ZINC000408631420	569982987	/nfs/dbraw/zinc/98/29/87/569982987.db2.gz	IOSHHETYZDSILM-RZNTYIFUSA-N	-2	1	493.841	3.874	40	5		JHBBML
O=C([O-])C(=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408632352	569983614	/nfs/dbraw/zinc/98/36/14/569983614.db2.gz	DTQBXHVCOOLJMI-MLPAPPSSSA-N	-2	1	463.815	3.865	40	5		JHBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1ccc(OC(F)(F)F)cc1	ZINC000408605882	569971018	/nfs/dbraw/zinc/97/10/18/569971018.db2.gz	NHJPVQXGHQVMLY-XCVCLJGOSA-N	-2	1	492.366	3.883	40	5		JHBBML