smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)ccc1OC1CCCC1	ZINC000048524471	569258009	/nfs/dbraw/zinc/25/80/09/569258009.db2.gz	LUWPLENUNOYMKP-UHFFFAOYSA-N	1	0	443.483	4.820	10	5		IJBERO
COc1cc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)ccc1OCCC(C)C	ZINC000048524465	569257951	/nfs/dbraw/zinc/25/79/51/569257951.db2.gz	ZTVPQEWWHKFNCE-UHFFFAOYSA-N	1	0	445.499	4.923	10	5		IJBERO
COc1cc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)ccc1OCC(C)C	ZINC000048524467	569257964	/nfs/dbraw/zinc/25/79/64/569257964.db2.gz	NXYMPRIJRCNTDE-UHFFFAOYSA-N	1	0	431.472	4.533	10	5		IJBERO
CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(C)C	ZINC000105050674	557474703	/nfs/dbraw/zinc/47/47/03/557474703.db2.gz	OJTVGHIOIAPTKF-GGAORHGYSA-N	1	0	441.547	4.843	10	5		IJBERO
CCCCOc1ccc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)cc1OC	ZINC000048524469	569258003	/nfs/dbraw/zinc/25/80/03/569258003.db2.gz	HCTREEMPBCLJKV-UHFFFAOYSA-N	1	0	431.472	4.677	10	5		IJBERO
CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(C)C	ZINC000245328426	569503913	/nfs/dbraw/zinc/50/39/13/569503913.db2.gz	OJTVGHIOIAPTKF-GMAHTHKFSA-N	1	0	441.547	4.843	10	5		IJBERO
CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(C)C	ZINC000034740811	568737777	/nfs/dbraw/zinc/73/77/77/568737777.db2.gz	OJTVGHIOIAPTKF-JTHBVZDNSA-N	1	0	441.547	4.843	10	5		IJBERO
CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(C)C	ZINC000034740812	568824473	/nfs/dbraw/zinc/82/44/73/568824473.db2.gz	OJTVGHIOIAPTKF-FYYLOGMGSA-N	1	0	441.547	4.843	10	5		IJBERO