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([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1	ZINC000004716033	440925855	/nfs/dbraw/zinc/92/58/55/440925855.db2.gz	IXRWDPANRSZMOB-NSHDSACASA-N	-2	3	340.313	1.682	50	5		EDBAHL
O=c1[n-]c([O-])nc(/C=C\c2cc3ccccc3oc2=O)c1[N+](=O)[O-]	ZINC000032687761	202231197	/nfs/dbraw/zinc/23/11/97/202231197.db2.gz	XNBJSYMPFDLURM-WAYWQWQTSA-N	-2	3	327.252	1.661	50	5		EDBAHL
Cc1[nH]nc(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)c1[N+](=O)[O-]	ZINC000096449585	442135235	/nfs/dbraw/zinc/13/52/35/442135235.db2.gz	UITCEODZPGZGIO-UHFFFAOYSA-N	-2	3	349.257	1.942	50	5		EDBAHL
Cn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=S	ZINC000101495141	441156304	/nfs/dbraw/zinc/15/63/04/441156304.db2.gz	KKGDHPBSYNNGRV-SECBINFHSA-N	-2	3	347.356	1.495	50	5		EDBAHL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1[O-]	ZINC000004614465	210232736	/nfs/dbraw/zinc/23/27/36/210232736.db2.gz	IKYRNCXEHOBFQO-ONEGZZNKSA-N	-2	3	335.272	1.277	50	5		EDBAHL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1[O-]	ZINC000009010348	211032072	/nfs/dbraw/zinc/03/20/72/211032072.db2.gz	ASKVJLICKAETDZ-NSCUHMNNSA-N	-3	3	339.691	1.922	50	5		EDBAHL
O=c1[n-]cnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)[n-]cnc1O2	ZINC000018202595	296525821	/nfs/dbraw/zinc/52/58/21/296525821.db2.gz	DXZUGVPAJKCKAS-UHFFFAOYSA-N	-2	3	339.267	1.047	50	5		EDBAHL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1[O-]	ZINC000033403643	441594911	/nfs/dbraw/zinc/59/49/11/441594911.db2.gz	IKYRNCXEHOBFQO-ARJAWSKDSA-N	-2	3	335.272	1.277	50	5		EDBAHL
Cn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=S	ZINC000101495137	441155978	/nfs/dbraw/zinc/15/59/78/441155978.db2.gz	KKGDHPBSYNNGRV-VIFPVBQESA-N	-2	3	347.356	1.495	50	5		EDBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000019972670	212092918	/nfs/dbraw/zinc/09/29/18/212092918.db2.gz	PQYVEONYEDDWCF-UHFFFAOYSA-N	-3	3	345.315	1.955	50	5		EDBAHL
O=C([N-]C(=O)c1ccccc1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003129809	440890314	/nfs/dbraw/zinc/89/03/14/440890314.db2.gz	VZRGVAULGXEGHZ-UHFFFAOYSA-N	-2	3	331.240	1.779	50	5		EDBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1	ZINC000004716032	210257361	/nfs/dbraw/zinc/25/73/61/210257361.db2.gz	IXRWDPANRSZMOB-LLVKDONJSA-N	-2	3	340.313	1.682	50	5		EDBAHL