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([O-])c(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1	ZINC000005942282	204159247	/nfs/dbraw/zinc/15/92/47/204159247.db2.gz	GPYUCNOPQPPZSD-UHFFFAOYSA-N	-1	1	391.814	5.678	50	5		GKBAMM
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c1	ZINC000004494371	570378688	/nfs/dbraw/zinc/37/86/88/570378688.db2.gz	QVCFSHMSGHWNMH-UHFFFAOYSA-N	-1	1	391.814	5.678	50	5		GKBAMM
Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(-c2nc3ccccc3s2)c1C	ZINC000005255664	570530328	/nfs/dbraw/zinc/53/03/28/570530328.db2.gz	AERURFAFKATGDO-UHFFFAOYSA-N	-1	1	399.453	5.395	50	5		GKBAMM
Cc1c(Cl)cc(C(C)(C)C)c([O-])c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005678125	570795434	/nfs/dbraw/zinc/79/54/34/570795434.db2.gz	CQPIWGICCRJEBY-UHFFFAOYSA-N	-1	1	397.258	5.465	50	5		GKBAMM
COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2[O-])c(C)c1	ZINC000001682069	570267320	/nfs/dbraw/zinc/26/73/20/570267320.db2.gz	GMGDWNYWMLZUEF-UHFFFAOYSA-N	-1	1	396.446	5.749	50	5		GKBAMM
Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccc(-c2ccccc2)o1	ZINC000409415593	231204531	/nfs/dbraw/zinc/20/45/31/231204531.db2.gz	RENMFYLKMMYAHC-UHFFFAOYSA-N	-1	1	397.390	5.206	50	5	biogenic	GKBAMM
O=c1c2ccc3c4ccccc4sc4ccc(c([O-])c1-c1ccccc1)c2c43	ZINC000006530223	570482649	/nfs/dbraw/zinc/48/26/49/570482649.db2.gz	XBSNQATZLMNDPW-UHFFFAOYSA-N	-1	1	378.452	6.532	50	5		GKBAMM
O=[N+]([O-])c1ccc2o/c(=N\[O-])c(-c3nc(-c4ccc(Cl)cc4)cs3)cc2c1	ZINC000004673538	570819869	/nfs/dbraw/zinc/81/98/69/570819869.db2.gz	JIQVWYAGHCTGJT-FXBPSFAMSA-N	-1	1	399.815	5.075	50	5		GKBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1	ZINC000002570914	209370207	/nfs/dbraw/zinc/37/02/07/209370207.db2.gz	SHSOLTGELRGKFN-NTEUORMPSA-N	-1	1	380.516	5.349	50	5		GKBAMM
[O-]c1ccc(Br)cc1-c1nc2ccc3ccccc3c2c2c1CCC2	ZINC000001837651	212257573	/nfs/dbraw/zinc/25/75/73/212257573.db2.gz	AYBVWQFBEMASNE-UHFFFAOYSA-N	-1	1	390.280	6.012	50	5		GKBAMM
O=C([N-]c1csc(C(F)(F)F)c1-c1ccccc1)c1ccc([N+](=O)[O-])s1	ZINC000036047233	570518187	/nfs/dbraw/zinc/51/81/87/570518187.db2.gz	HXJSSUAHEUKNAT-UHFFFAOYSA-N	-1	1	398.387	5.656	50	5		GKBAMM