smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2n(-c3ccc(Cl)cc3)c3cccc(C(F)(F)F)c3cc-2c(=O)[n-]1	ZINC000096286454	208301848	/nfs/dbraw/zinc/30/18/48/208301848.db2.gz	BWCGEEAHYQFUJF-UHFFFAOYSA-N	-1	0	391.736	3.851	1	5		GHBFRM
Cc1nc2c(ccc3c2[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C2C(=O)OC=C2N3)s1	ZINC000073161051	208033295	/nfs/dbraw/zinc/03/32/95/208033295.db2.gz	FGYXWZJTVBZDNP-OAHLLOKOSA-N	-1	0	395.396	3.587	1	5		GHBFRM
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000026376150	207312998	/nfs/dbraw/zinc/31/29/98/207312998.db2.gz	LOWGOAQVGBZRCX-LLVKDONJSA-N	-1	0	377.784	3.755	1	5		GHBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000013863186	207002957	/nfs/dbraw/zinc/00/29/57/207002957.db2.gz	LOWGOAQVGBZRCX-NSHDSACASA-N	-1	0	377.784	3.755	1	5		GHBFRM
CS(=O)(=O)c1cccc(-c2nc3cc(C(=O)[O-])ccc3c3cnccc32)c1	ZINC000082157977	208082196	/nfs/dbraw/zinc/08/21/96/208082196.db2.gz	NIKHKHUOSBNYKD-UHFFFAOYSA-N	-1	0	378.409	3.552	1	5		GHBFRM
O=c1nc2n(-c3ccc(Cl)cc3)c3cc(C(F)(F)F)ccc3cc-2c(=O)[n-]1	ZINC000096286453	211331895	/nfs/dbraw/zinc/33/18/95/211331895.db2.gz	NYIFOXKMKUWWOA-UHFFFAOYSA-N	-1	0	391.736	3.851	1	5		GHBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	ZINC000013863185	210095511	/nfs/dbraw/zinc/09/55/11/210095511.db2.gz	PFYNLXMDGKPGAM-NSHDSACASA-N	-1	0	377.784	3.755	1	5		GHBFRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc2cccnc21	ZINC000013817942	210092259	/nfs/dbraw/zinc/09/22/59/210092259.db2.gz	XFAYJVUYCNWUEQ-UHFFFAOYSA-N	-1	0	397.334	3.963	1	5		GHBFRM
CCCCCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)[O-])ccc3oc12	ZINC000139016409	211491660	/nfs/dbraw/zinc/49/16/60/211491660.db2.gz	HQYSJLHLQNKQKH-MHZLTWQESA-N	-1	0	388.441	3.951	1	5		GHBFRM
O=C([O-])/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1	ZINC000028478290	221678274	/nfs/dbraw/zinc/67/82/74/221678274.db2.gz	BNIKPXHBJXAQLZ-VBKFSLOCSA-N	-1	0	378.340	3.710	1	5		GHBFRM
O=C([O-])c1ccc(C(=O)c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000013740014	210088184	/nfs/dbraw/zinc/08/81/84/210088184.db2.gz	GNFJSZALBYKAJJ-UHFFFAOYSA-N	-1	0	375.336	3.755	1	5		GHBFRM
COc1cc(-c2nnc([N-]c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC	ZINC000071318948	222180229	/nfs/dbraw/zinc/18/02/29/222180229.db2.gz	OFHSOWQFDVXYQY-UHFFFAOYSA-N	-1	0	388.405	3.883	1	5		GHBFRM
C[S@](=O)c1cc(OC2CCCC2)c2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000139016888	222528285	/nfs/dbraw/zinc/52/82/85/222528285.db2.gz	MIHABJMOONZUBF-HHHXNRCGSA-N	-1	0	386.425	3.703	1	5		GHBFRM
COc1cc2ccc(C)nc2c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1	ZINC000013818049	221291105	/nfs/dbraw/zinc/29/11/05/221291105.db2.gz	MAMCLHLVWFBEGY-UHFFFAOYSA-N	-1	0	387.417	3.569	1	5		GHBFRM
Cc1nc2c(ccc3c2[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C2C(=O)OC=C2N3)s1	ZINC000073161050	222266156	/nfs/dbraw/zinc/26/61/56/222266156.db2.gz	FGYXWZJTVBZDNP-HNNXBMFYSA-N	-1	0	395.396	3.587	1	5		GHBFRM