smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(=O)c2c([O-])c3cc(OC)c([O-])c(OC)c3oc-2c1	ZINC000014649050	277385921	/nfs/dbraw/zinc/38/59/21/277385921.db2.gz	IDZNVJWQZDSPIX-UHFFFAOYSA-N	-2	0	318.281	2.383	10	5	biogenic,in-vitro	DEBERL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000095494987	304223814	/nfs/dbraw/zinc/22/38/14/304223814.db2.gz	LETSWPBKISALJA-UHFFFAOYSA-N	-3	0	303.226	2.364	10	5		DEBERL
COc1c([O-])c2c(O)c3c(C)cc([O-])c(OC)c3oc-2cc1=O	ZINC000096023815	294905485	/nfs/dbraw/zinc/90/54/85/294905485.db2.gz	PWBCXOKCVLBBMI-UHFFFAOYSA-N	-2	0	318.281	2.389	10	5	biogenic	DEBERL
Cc1cc([N-]c2ncnc([N-]c3cc(C)on3)c2[N+](=O)[O-])no1	ZINC000040581951	183105035	/nfs/dbraw/zinc/10/50/35/183105035.db2.gz	AOPPALSIPPSVBM-UHFFFAOYSA-N	-2	0	317.265	2.465	10	5		DEBERL
O=C([O-])Cc1cccc2c(=O)c3cccc(CC(=O)[O-])c3oc12	ZINC000028770418	401853098	/nfs/dbraw/zinc/85/30/98/401853098.db2.gz	FYWAKKVCWVVXAB-UHFFFAOYSA-N	-2	0	312.277	2.200	10	5		DEBERL
CC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000083805495	192383508	/nfs/dbraw/zinc/38/35/08/192383508.db2.gz	HWDYLALQNAWEEO-UHFFFAOYSA-N	-2	0	316.335	2.081	10	5		DEBERL
O=C([O-])c1cc2oc3cccc(O)c3c(=O)c2c(C(=O)[O-])c1	ZINC000014502170	401811803	/nfs/dbraw/zinc/81/18/03/401811803.db2.gz	KSDHRLBMSUYFBZ-UHFFFAOYSA-N	-2	0	300.222	2.048	10	5		DEBERL
C[C@@]([N-]c1nc2sccn2c1[N+](=O)[O-])(C(=O)[O-])C(F)(F)F	ZINC000094222014	193350752	/nfs/dbraw/zinc/35/07/52/193350752.db2.gz	FNGJHDWAFYHWLO-MRVPVSSYSA-N	-2	0	324.240	2.122	10	5		DEBERL
C[C@]([N-]c1nc2sccn2c1[N+](=O)[O-])(C(=O)[O-])C(F)(F)F	ZINC000094222015	193350851	/nfs/dbraw/zinc/35/08/51/193350851.db2.gz	FNGJHDWAFYHWLO-QMMMGPOBSA-N	-2	0	324.240	2.122	10	5		DEBERL
CC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000436573401	405103933	/nfs/dbraw/zinc/10/39/33/405103933.db2.gz	CCSIMNSTGUAJTC-UHFFFAOYSA-N	-2	0	316.269	2.461	10	5		DEBERL