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[nH]c(=O)c([N+](=O)[O-])c(C=CC=Cc2ccncc2)[nH]1	ZINC000352029535	375349105	/nfs/dbraw/zinc/34/91/05/375349105.db2.gz	ZZIZSLKOHZVMJI-HSFFGMMNSA-N	-2	2	286.247	1.918	20	5		CDBDLL
C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-]	ZINC000600702307	342242890	/nfs/dbraw/zinc/24/28/90/342242890.db2.gz	NJQPNTFMOSKPAU-JOYOIKCWSA-N	-2	2	294.307	1.843	20	5		CDBDLL
C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000600702308	342242881	/nfs/dbraw/zinc/24/28/81/342242881.db2.gz	NJQPNTFMOSKPAU-SKDRFNHKSA-N	-2	2	294.307	1.843	20	5		CDBDLL
C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000600702306	342242949	/nfs/dbraw/zinc/24/29/49/342242949.db2.gz	NJQPNTFMOSKPAU-CABZTGNLSA-N	-2	2	294.307	1.843	20	5		CDBDLL
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=CC=Cc2ccncc2)[nH]1	ZINC000352029536	375349227	/nfs/dbraw/zinc/34/92/27/375349227.db2.gz	ZZIZSLKOHZVMJI-ZPUQHVIOSA-N	-2	2	286.247	1.918	20	5		CDBDLL
C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-]	ZINC000600702300	342242845	/nfs/dbraw/zinc/24/28/45/342242845.db2.gz	NJQPNTFMOSKPAU-BXKDBHETSA-N	-2	2	294.307	1.843	20	5		CDBDLL