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(Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000043191569	557018151	/nfs/dbraw/zinc/01/81/51/557018151.db2.gz	HHPWDMRSBFHFEO-UHFFFAOYSA-N	-2	0	438.352	3.419	50	5		IGBARL
O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000043190941	557018451	/nfs/dbraw/zinc/01/84/51/557018451.db2.gz	PMVDLQNBBYTGBU-UHFFFAOYSA-N	-2	0	438.352	3.419	50	5		IGBARL
O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000043190946	557018400	/nfs/dbraw/zinc/01/84/00/557018400.db2.gz	DVPJRYMXXCOUSP-UHFFFAOYSA-N	-2	0	438.352	3.419	50	5		IGBARL
O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c2)c1	ZINC000002864706	562930251	/nfs/dbraw/zinc/93/02/51/562930251.db2.gz	KVIDPPSHOHBRAO-UHFFFAOYSA-N	-2	0	441.421	3.346	50	5		IGBARL
O=C([O-])c1ccc(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C(=O)[O-]	ZINC000059383283	569461108	/nfs/dbraw/zinc/46/11/08/569461108.db2.gz	ATKFDJQYWVDDDQ-UHFFFAOYSA-N	-2	0	434.360	3.475	50	5		IGBARL
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002468972	569403923	/nfs/dbraw/zinc/40/39/23/569403923.db2.gz	VEVZAHKCVMPJFV-UHFFFAOYSA-N	-2	0	441.421	3.346	50	5		IGBARL
O=C([O-])c1ccc(C(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C(=O)[O-]	ZINC000022588649	526364243	/nfs/dbraw/zinc/36/42/43/526364243.db2.gz	LHUWCYKMIMTHRO-UHFFFAOYSA-N	-2	0	434.360	3.475	50	5		IGBARL
O=C([O-])c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000004542424	556431693	/nfs/dbraw/zinc/43/16/93/556431693.db2.gz	OOCHYJHFXVXLTI-UHFFFAOYSA-N	-2	0	449.375	3.496	50	5		IGBARL
O=C([O-])c1ccc(C(=O)[O-])c(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000003064988	569439544	/nfs/dbraw/zinc/43/95/44/569439544.db2.gz	PZNVATAKALPZQK-UHFFFAOYSA-N	-2	0	434.360	3.475	50	5		IGBARL
O=C(Cn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc21)Nc1ccc(F)cc1	ZINC000009234851	569294695	/nfs/dbraw/zinc/29/46/95/569294695.db2.gz	JGOKCGLWDMTTEI-BJMVGYQFSA-N	-2	0	449.398	3.287	50	5		IGBARL
O=C([O-])c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000020494770	526396169	/nfs/dbraw/zinc/39/61/69/526396169.db2.gz	GTBLCBPMFVKSFB-UHFFFAOYSA-N	-2	0	441.421	3.346	50	5		IGBARL
O=C(Nc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000032798294	556364323	/nfs/dbraw/zinc/36/43/23/556364323.db2.gz	HCPSKDIUKMAICK-UHFFFAOYSA-N	-2	0	431.401	3.493	50	5		IGBARL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036379971	563093713	/nfs/dbraw/zinc/09/37/13/563093713.db2.gz	BFJXGNDCJKJBPA-UHFFFAOYSA-N	-2	0	438.352	3.419	50	5		IGBARL
O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000022130636	526396829	/nfs/dbraw/zinc/39/68/29/526396829.db2.gz	QNRNNRDAVDKSEH-UHFFFAOYSA-N	-2	0	441.421	3.346	50	5		IGBARL
O=C([O-])c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004542425	556431727	/nfs/dbraw/zinc/43/17/27/556431727.db2.gz	GLQDWQVVIVSOTH-UHFFFAOYSA-N	-2	0	449.375	3.496	50	5		IGBARL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccc2C(=O)[O-])c(C)c1	ZINC000058171300	569449583	/nfs/dbraw/zinc/44/95/83/569449583.db2.gz	VSCMKRLBMBUAEF-UHFFFAOYSA-N	-2	0	431.426	3.202	50	5		IGBARL
O=C([O-])c1cc([N+](=O)[O-])c(N[C@H](CSCc2cccc(F)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020664758	526355075	/nfs/dbraw/zinc/35/50/75/526355075.db2.gz	WGAMWRWVQXBSCT-GFCCVEGCSA-N	-2	0	439.377	3.139	50	5		IGBARL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000036020548	527131470	/nfs/dbraw/zinc/13/14/70/527131470.db2.gz	AMTBLIRDJRCJJA-UHFFFAOYSA-N	-2	0	438.352	3.419	50	5		IGBARL
O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002028810	568928812	/nfs/dbraw/zinc/92/88/12/568928812.db2.gz	GFAMWKXHGUIHBL-UHFFFAOYSA-N	-2	0	441.421	3.346	50	5		IGBARL
O=C([O-])c1ccc2c3ccc(C(=O)[O-])c4c3c(c3c2c1C(C(=O)[O-])=CC3)CC=C4C(=O)[O-]	ZINC000030836074	556507468	/nfs/dbraw/zinc/50/74/68/556507468.db2.gz	VNXUUUNAEDAQSH-UHFFFAOYSA-N	-4	0	430.368	3.438	50	5		IGBARL
O=C([O-])CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)[O-])cc2s1	ZINC000096601904	556837445	/nfs/dbraw/zinc/83/74/45/556837445.db2.gz	KVIAKIIDEWEIAA-UHFFFAOYSA-N	-2	0	433.423	3.332	50	5		IGBARL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000004522171	556411947	/nfs/dbraw/zinc/41/19/47/556411947.db2.gz	DREUHQAQUQXRJL-UHFFFAOYSA-N	-2	0	433.467	3.196	50	5		IGBARL
O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H](CSCc2cccc(F)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020664760	526355531	/nfs/dbraw/zinc/35/55/31/526355531.db2.gz	WGAMWRWVQXBSCT-LBPRGKRZSA-N	-2	0	439.377	3.139	50	5		IGBARL