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(Cc3ccccc3)c3c(cccc3C(F)(F)F)cc-2c(=O)[nH]1	ZINC000096286446	205871492	/nfs/dbraw/zinc/87/14/92/205871492.db2.gz	KJINGTBKIBXJOF-UHFFFAOYSA-N	0	2	371.318	3.257	1	5		FGBFLN
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c3ccc(C)nc3c2O)cc1	ZINC000040395839	208250997	/nfs/dbraw/zinc/25/09/97/208250997.db2.gz	ATORGAZGKVYXDX-UHFFFAOYSA-N	0	2	367.361	3.096	1	5		FGBFLN
O=c1c2c[nH]c3ccc([N+](=O)[O-])cc3c-2nn1-c1nc2ccccc2s1	ZINC000101588281	209228294	/nfs/dbraw/zinc/22/82/94/209228294.db2.gz	MISVBUDBZJFZBI-UHFFFAOYSA-N	0	2	363.358	3.337	1	5		FGBFLN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3o2)c1	ZINC000036241912	220809511	/nfs/dbraw/zinc/80/95/11/220809511.db2.gz	FIBATIZLKOYTAW-UHFFFAOYSA-N	0	2	353.743	3.190	1	5		FGBFLN
O=c1nc2n(-c3ccccc3)c3c(cccc3C(F)(F)F)cc-2c(=O)[nH]1	ZINC000096286456	222110657	/nfs/dbraw/zinc/11/06/57/222110657.db2.gz	BPHRPHHEZDJQER-UHFFFAOYSA-N	0	2	357.291	3.198	1	5		FGBFLN
O=c1nc2n(-c3ccccc3)c3cc(C(F)(F)F)ccc3cc-2c(=O)[nH]1	ZINC000096282705	222111265	/nfs/dbraw/zinc/11/12/65/222111265.db2.gz	XGSBPBLXZMDSRW-UHFFFAOYSA-N	0	2	357.291	3.198	1	5		FGBFLN