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(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc([O-])ccc1Cl	ZINC000236557537	146022042	/nfs/dbraw/zinc/02/20/42/146022042.db2.gz	FPLCAWCVGNOSKK-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(O)cc1[O-]	ZINC000436631337	297019448	/nfs/dbraw/zinc/01/94/48/297019448.db2.gz	RTIWIBDESLHJQT-UHFFFAOYSA-N	-2	1	324.676	2.617	20	5		DFBDML
C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1	ZINC000825443004	603173160	/nfs/dbraw/zinc/17/31/60/603173160.db2.gz	VNXRFIWUCHCMKO-QMMMGPOBSA-N	-2	1	318.289	2.504	20	5		DFBDML
C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1	ZINC000833533366	605637196	/nfs/dbraw/zinc/63/71/96/605637196.db2.gz	YJKUGQVJOUWSNZ-SSDOTTSWSA-N	-2	1	321.241	2.510	20	5		DFBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1[O-]	ZINC000436863174	297040903	/nfs/dbraw/zinc/04/09/03/297040903.db2.gz	SOHKZNQCLOHFTN-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000339007217	427622816	/nfs/dbraw/zinc/62/28/16/427622816.db2.gz	OCPWDSFEGLGALS-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1	ZINC000825443003	603173513	/nfs/dbraw/zinc/17/35/13/603173513.db2.gz	VNXRFIWUCHCMKO-MRVPVSSYSA-N	-2	1	318.289	2.504	20	5		DFBDML
O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000070887589	425977112	/nfs/dbraw/zinc/97/71/12/425977112.db2.gz	ZNVCBHTYLFGTIN-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1[O-]	ZINC000445482223	297261356	/nfs/dbraw/zinc/26/13/56/297261356.db2.gz	PJLUOFCJFXWDAF-UHFFFAOYSA-N	-2	1	317.232	2.862	20	5		DFBDML
O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000552783152	301697969	/nfs/dbraw/zinc/69/79/69/301697969.db2.gz	FQLKIPUEPIBJDY-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(O)c2)cc1[N+](=O)[O-]	ZINC000191783743	427423885	/nfs/dbraw/zinc/42/38/85/427423885.db2.gz	PGRJXOUGUCYPQP-UHFFFAOYSA-N	-2	1	322.342	2.718	20	5		DFBDML
C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1	ZINC000833533367	605637279	/nfs/dbraw/zinc/63/72/79/605637279.db2.gz	YJKUGQVJOUWSNZ-ZETCQYMHSA-N	-2	1	321.241	2.510	20	5		DFBDML
O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCc2cccc([O-])c21	ZINC000343857623	272230421	/nfs/dbraw/zinc/23/04/21/272230421.db2.gz	DGLNAMUUYOQDNX-UHFFFAOYSA-N	-2	1	314.297	2.599	20	5		DFBDML
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc([O-])c(F)c1	ZINC000436539999	297010412	/nfs/dbraw/zinc/01/04/12/297010412.db2.gz	VRMRPSLBZMKFAE-HNQUOIGGSA-N	-2	1	304.233	2.703	20	5		DFBDML
O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436866816	297041024	/nfs/dbraw/zinc/04/10/24/297041024.db2.gz	AACZWOTWARYVAQ-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=C([O-])N1CCCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000834106529	605725191	/nfs/dbraw/zinc/72/51/91/605725191.db2.gz	DUSKIPLNPNBLSS-VIFPVBQESA-N	-2	1	321.293	2.568	20	5		DFBDML
O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000552435374	430596638	/nfs/dbraw/zinc/59/66/38/430596638.db2.gz	DIMKZGDOUZCJKL-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1c(F)ccc([O-])c1F	ZINC000359522516	427888502	/nfs/dbraw/zinc/88/85/02/427888502.db2.gz	FTGHDKSBCOURDR-HNQUOIGGSA-N	-2	1	322.223	2.842	20	5		DFBDML
O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436900535	297043068	/nfs/dbraw/zinc/04/30/68/297043068.db2.gz	NYYLXXDQUURGLJ-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=C([O-])N1CCCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000834106526	605725230	/nfs/dbraw/zinc/72/52/30/605725230.db2.gz	DUSKIPLNPNBLSS-SECBINFHSA-N	-2	1	321.293	2.568	20	5		DFBDML
CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(=O)[O-])c1	ZINC000736514878	600074758	/nfs/dbraw/zinc/07/47/58/600074758.db2.gz	DKXOAYIYNQJSDC-UHFFFAOYSA-N	-2	1	317.301	2.997	20	5		DFBDML
O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[O-]	ZINC000445460382	429287443	/nfs/dbraw/zinc/28/74/43/429287443.db2.gz	ABKCZMKCARITLG-UHFFFAOYSA-N	-2	1	317.232	2.862	20	5		DFBDML
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl	ZINC000048807072	600487179	/nfs/dbraw/zinc/48/71/79/600487179.db2.gz	TUUNHQOAOZJCPT-UHFFFAOYSA-N	-2	1	309.665	2.527	20	5		DFBDML
CCc1nc(SCc2cc([O-])ccc2[N+](=O)[O-])[n-]c(=O)c1C	ZINC000582797806	323740524	/nfs/dbraw/zinc/74/05/24/323740524.db2.gz	ZQTVCNUJFSXQJM-UHFFFAOYSA-N	-2	1	321.358	2.959	20	5		DFBDML
O=C(Nc1cc(Cl)ccc1[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000346829005	428334604	/nfs/dbraw/zinc/33/46/04/428334604.db2.gz	OCOAIDQDAIKWHE-UHFFFAOYSA-N	-2	1	308.677	2.912	20	5		DFBDML
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc([O-])cc(F)c1	ZINC000184755197	427533661	/nfs/dbraw/zinc/53/36/61/427533661.db2.gz	CDLNSIVLAFMMML-OWOJBTEDSA-N	-2	1	304.233	2.703	20	5		DFBDML
O=c1cc(C2CC2)nc(SCc2cc([O-])ccc2[N+](=O)[O-])[n-]1	ZINC000413002739	429121607	/nfs/dbraw/zinc/12/16/07/429121607.db2.gz	GFZWNFQYQBSCDC-UHFFFAOYSA-N	-2	1	319.342	2.966	20	5		DFBDML
O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000166530432	600202471	/nfs/dbraw/zinc/20/24/71/600202471.db2.gz	BFBGRTHIGLXWNR-UHFFFAOYSA-N	-2	1	309.665	2.527	20	5		DFBDML
O=C([O-])Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1	ZINC000834256978	605626722	/nfs/dbraw/zinc/62/67/22/605626722.db2.gz	VUDVYWQRFDQFQL-UHFFFAOYSA-N	-2	1	317.257	2.643	20	5		DFBDML