smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000517938573	568344339	/nfs/dbraw/zinc/34/43/39/568344339.db2.gz	OJPBVGPYIVWOBA-UHFFFAOYSA-N	-1	1	357.753	4.621	20	5		FJBDMM
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2ccccc2c1[O-]	ZINC000436709423	568445641	/nfs/dbraw/zinc/44/56/41/568445641.db2.gz	NCHGTVLPCWRHMD-UHFFFAOYSA-N	-1	1	364.401	4.504	20	5		FJBDMM
O=[N+]([O-])c1ccc(/C(=C/c2ccc([O-])c(Cl)c2)c2ccncc2)cc1	ZINC000436562078	567850799	/nfs/dbraw/zinc/85/07/99/567850799.db2.gz	JLMOXTBGSUDQLL-BOPFTXTBSA-N	-1	1	352.777	4.938	20	5		FJBDMM
CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000013948592	207491779	/nfs/dbraw/zinc/49/17/79/207491779.db2.gz	TXCQEGYUMXSDGN-UHFFFAOYSA-N	-1	1	362.451	4.642	20	5		FJBDMM
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000436709199	568435404	/nfs/dbraw/zinc/43/54/04/568435404.db2.gz	MNZOFCFYOIJFHO-UHFFFAOYSA-N	-1	1	364.401	4.504	20	5		FJBDMM
COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1[O-]	ZINC000007746337	207205212	/nfs/dbraw/zinc/20/52/12/207205212.db2.gz	PLUQALIFBBAUCU-GORDUTHDSA-N	-1	1	362.794	4.743	20	5		FJBDMM