smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1Nc1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040648078	205075970	/nfs/dbraw/zinc/07/59/70/205075970.db2.gz	HYSVJJCPXDLRSZ-UHFFFAOYSA-N	-1	1	357.320	4.459	10	5		FIBEMM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1N1CCc2ccccc21	ZINC000040586235	205072554	/nfs/dbraw/zinc/07/25/54/205072554.db2.gz	CGXUQIVTXKZLNI-UHFFFAOYSA-N	-1	1	369.331	4.101	10	5		FIBEMM
Cc1ccc([N-]c2ncnc(Nc3ccccc3Cl)c2[N+](=O)[O-])nc1	ZINC000040648190	205075924	/nfs/dbraw/zinc/07/59/24/205075924.db2.gz	BWIMRFXKAUKLSL-UHFFFAOYSA-N	-1	1	356.773	4.229	10	5		FIBEMM
O=[N+]([O-])c1c([N-]c2cccc3cccnc32)ncnc1Oc1ccccc1	ZINC000040626395	205074952	/nfs/dbraw/zinc/07/49/52/205074952.db2.gz	FXWHOCQTDCAQTR-UHFFFAOYSA-N	-1	1	359.345	4.469	10	5		FIBEMM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1Nc1ccc(F)cc1	ZINC000040649421	208260235	/nfs/dbraw/zinc/26/02/35/208260235.db2.gz	ZROHMSDPVOJRGC-UHFFFAOYSA-N	-1	1	361.283	4.289	10	5		FIBEMM
Cc1cc(Oc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc(C)c1Cl	ZINC000040659900	208261223	/nfs/dbraw/zinc/26/12/23/208261223.db2.gz	LXPXWFYLBTVQDL-UHFFFAOYSA-N	-1	1	365.821	4.162	10	5		FIBEMM
CCc1ccc(Oc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624765	208258006	/nfs/dbraw/zinc/25/80/06/208258006.db2.gz	KOFJKGKXNNVKCS-UHFFFAOYSA-N	-1	1	351.366	4.179	10	5		FIBEMM
Cc1ccc(Sc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624518	208258499	/nfs/dbraw/zinc/25/84/99/208258499.db2.gz	CYRBJXBFRXMCFY-UHFFFAOYSA-N	-1	1	353.407	4.283	10	5		FIBEMM
Cc1ccc([N-]c2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])nc1	ZINC000040648660	208261840	/nfs/dbraw/zinc/26/18/40/208261840.db2.gz	VQKBPUFGEMVHMW-UHFFFAOYSA-N	-1	1	356.773	4.229	10	5		FIBEMM
CN(c1ccccc1)c1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040625589	208258103	/nfs/dbraw/zinc/25/81/03/208258103.db2.gz	RPJGMOZQDCKOOI-UHFFFAOYSA-N	-1	1	357.320	4.175	10	5		FIBEMM
Cc1ccc([N-]c2ncnc(Nc3cccc4ncccc43)c2[N+](=O)[O-])nc1	ZINC000040660009	208261813	/nfs/dbraw/zinc/26/18/13/208261813.db2.gz	RZTNLQAJYDVCFT-UHFFFAOYSA-N	-1	1	373.376	4.124	10	5		FIBEMM
COc1ccc(S(=O)(=O)[N-]c2ccnc3c4ccccc4ccc23)cc1	ZINC000040384337	220903311	/nfs/dbraw/zinc/90/33/11/220903311.db2.gz	BXUVISTWJAVGMM-UHFFFAOYSA-N	-1	1	364.426	4.197	10	5		FIBEMM
CCOc1ncnc([N-]c2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-]	ZINC000040583301	220911068	/nfs/dbraw/zinc/91/10/68/220911068.db2.gz	UNZVHSZHBDHQRV-UHFFFAOYSA-N	-1	1	362.695	4.199	10	5		FIBEMM