smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003902067	342739309	/nfs/dbraw/zinc/73/93/09/342739309.db2.gz	XQMYRPMIZPLRTA-UHFFFAOYSA-N	-2	0	201.094	0.309	40	10		BCCBRL
O=C([O-])Cc1cc(C(=O)[O-])cc(O)c1O	ZINC000225723980	259541561	/nfs/dbraw/zinc/54/15/61/259541561.db2.gz	CMIODTWBBIEATN-UHFFFAOYSA-N	-2	0	212.157	0.423	40	10		BCCBRL
Nc1ccc(C[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000402645	342686679	/nfs/dbraw/zinc/68/66/79/342686679.db2.gz	HWEYHPQQWPDLAY-QMMMGPOBSA-N	-2	0	223.228	0.987	40	10	in-vitro	BCCBRL
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c(O)c1[O-]	ZINC000002149898	342716245	/nfs/dbraw/zinc/71/62/45/342716245.db2.gz	JJPIRJNQXIJGPL-UHFFFAOYSA-N	-2	0	216.105	0.620	40	10		BCCBRL
Nc1ccc(C[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000402646	342686708	/nfs/dbraw/zinc/68/67/08/342686708.db2.gz	HWEYHPQQWPDLAY-MRVPVSSYSA-N	-2	0	223.228	0.987	40	10	in-vitro	BCCBRL
Cc1nc2c(C(=O)[O-])c[n-]n2c(=O)c1C	ZINC000100105517	180061398	/nfs/dbraw/zinc/06/13/98/180061398.db2.gz	BRLMYDWNKBHUNU-UHFFFAOYSA-N	-2	0	207.189	0.750	40	10		BCCBRL
Nc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)cc1	ZINC000217704892	385891082	/nfs/dbraw/zinc/89/10/82/385891082.db2.gz	LOCVRHRRFWGJRG-UHFFFAOYSA-N	-2	0	219.200	0.858	40	10		BCCBRL