smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)co2)cc1	ZINC000153409871	1121433049	/nfs/dbraw/zinc/43/30/49/1121433049.db2.gz	RQWSXHAPGIKJHT-CQSZACIVSA-N	1	1	370.434	4.086	10	5		FIBEMO
O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nccs4)C3)co2)cc1	ZINC000153409871	1121433053	/nfs/dbraw/zinc/43/30/53/1121433053.db2.gz	RQWSXHAPGIKJHT-CQSZACIVSA-N	1	1	370.434	4.086	10	5		FIBEMO
O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc(Br)s1	ZINC000050443557	209348107	/nfs/dbraw/zinc/34/81/07/209348107.db2.gz	ARXBLCJWNMUGBA-UHFFFAOYSA-N	1	1	361.648	4.362	10	5		FIBEMO
C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000038012428	211347999	/nfs/dbraw/zinc/34/79/99/211347999.db2.gz	DKQSHJXHPIKXDU-SNVBAGLBSA-N	1	1	353.191	4.347	10	5		FIBEMO
O=c1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c2c(ccc3ccccc32)o1	ZINC000195506559	1103095517	/nfs/dbraw/zinc/09/55/17/1103095517.db2.gz	BEUBZNZIFYIQBO-UHFFFAOYSA-N	1	1	359.429	4.049	10	5		FIBEMO
O=[N+]([O-])c1cccc(Cl)c1C[NH2+]Cc1ccc(Br)s1	ZINC000104314613	222355984	/nfs/dbraw/zinc/35/59/84/222355984.db2.gz	MTKQQPNZLJGVQG-UHFFFAOYSA-N	1	1	361.648	4.362	10	5		FIBEMO
C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000038012427	263399248	/nfs/dbraw/zinc/39/92/48/263399248.db2.gz	DKQSHJXHPIKXDU-JTQLQIEISA-N	1	1	353.191	4.347	10	5		FIBEMO
O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nccs4)C3)co2)cc1	ZINC000153409744	1121431393	/nfs/dbraw/zinc/43/13/93/1121431393.db2.gz	RQWSXHAPGIKJHT-AWEZNQCLSA-N	1	1	370.434	4.086	10	5		FIBEMO
O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nccs4)C3)co2)cc1	ZINC000153409744	1121431398	/nfs/dbraw/zinc/43/13/98/1121431398.db2.gz	RQWSXHAPGIKJHT-AWEZNQCLSA-N	1	1	370.434	4.086	10	5		FIBEMO