smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2)n1	ZINC001303598211	1068123553	/nfs/dbraw/zinc/12/35/53/1068123553.db2.gz	UJMNWLMPJSGWNE-GOSISDBHSA-N	-1	3	454.531	3.034	20	5		JGBDHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)cc2)cc1[N+](=O)[O-]	ZINC001303598784	1068124778	/nfs/dbraw/zinc/12/47/78/1068124778.db2.gz	JEHNJTWFNOPEHC-RBUKOAKNSA-N	-1	3	458.540	3.013	20	5		JGBDHM
O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC001301895706	1066916834	/nfs/dbraw/zinc/91/68/34/1066916834.db2.gz	ZTLLYTJYKZNKJO-UHFFFAOYSA-N	-1	3	455.175	3.391	20	5		JGBDHM
O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC001301895706	1066916844	/nfs/dbraw/zinc/91/68/44/1066916844.db2.gz	ZTLLYTJYKZNKJO-UHFFFAOYSA-N	-1	3	455.175	3.391	20	5		JGBDHM
CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]Cc2cc(F)c(Cl)c([N+](=O)[O-])c2)cc1	ZINC001301917888	1066947915	/nfs/dbraw/zinc/94/79/15/1066947915.db2.gz	OTJJELQJAFBNGO-UHFFFAOYSA-N	-1	3	459.808	3.263	20	5		JGBDHM
Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2)n1	ZINC001303598212	1068123575	/nfs/dbraw/zinc/12/35/75/1068123575.db2.gz	UJMNWLMPJSGWNE-SFHVURJKSA-N	-1	3	454.531	3.034	20	5		JGBDHM