smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1	ZINC000173731258	231016970	/nfs/dbraw/zinc/01/69/70/231016970.db2.gz	JJJVUBZTEYCPMU-UHFFFAOYSA-N	-1	1	346.290	3.280	40	5		EGBBMM
CSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000007363475	453064973	/nfs/dbraw/zinc/06/49/73/453064973.db2.gz	UDJZHFVNTAIUKH-UHFFFAOYSA-N	-1	1	338.410	3.426	40	5		EGBBMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000001614974	1424786966	/nfs/dbraw/zinc/78/69/66/1424786966.db2.gz	AJSAARODUVUXAJ-UHFFFAOYSA-N	-1	1	331.168	3.023	40	5		EGBBMM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000024697866	212433676	/nfs/dbraw/zinc/43/36/76/212433676.db2.gz	YQURSEHHVCZQGL-QPEQYQDCSA-N	-1	1	346.320	3.187	40	5		EGBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862609	205160380	/nfs/dbraw/zinc/16/03/80/205160380.db2.gz	PPLFEEVKVABWMX-UHFFFAOYSA-N	-1	1	344.751	3.497	40	5		EGBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000016129932	453595862	/nfs/dbraw/zinc/59/58/62/453595862.db2.gz	HGIJLTVHXFMVEA-UHFFFAOYSA-N	-1	1	344.751	3.497	40	5		EGBBMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000014256183	453526400	/nfs/dbraw/zinc/52/64/00/453526400.db2.gz	SELIJGXPRDCQPL-UHFFFAOYSA-N	-1	1	336.369	3.103	40	5		EGBBMM
CCOC(=O)c1c([O-])c2c(ccc3cc4ccccc4cc23)n1C(C)=O	ZINC000096169040	1424787851	/nfs/dbraw/zinc/78/78/51/1424787851.db2.gz	KJJIJAASDWFDIC-LJQANCHMSA-N	-1	1	347.370	3.474	40	5		EGBBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c1	ZINC000014291475	453529022	/nfs/dbraw/zinc/52/90/22/453529022.db2.gz	SYKMEJBKPUXXEL-UHFFFAOYSA-N	-1	1	326.761	3.190	40	5		EGBBMM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000029046201	453825982	/nfs/dbraw/zinc/82/59/82/453825982.db2.gz	HPUDJDALXSOFDD-UHFFFAOYSA-N	-1	1	336.369	3.021	40	5		EGBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000006315836	257866865	/nfs/dbraw/zinc/86/68/65/257866865.db2.gz	LYDXOAGEADAEFX-UHFFFAOYSA-N	-1	1	336.369	3.103	40	5		EGBBMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000055547394	214328837	/nfs/dbraw/zinc/32/88/37/214328837.db2.gz	BPXONJWSYKKUBR-UHFFFAOYSA-N	-1	1	342.760	3.058	40	5		EGBBMM
N=c1[n-]nc(/C(=C/c2cc([N+](=O)[O-])ccc2O)c2ccccc2)s1	ZINC000408718352	257891121	/nfs/dbraw/zinc/89/11/21/257891121.db2.gz	TWICZVHGYZDQTB-UKTHLTGXSA-N	-1	1	340.364	3.153	40	5		EGBBMM
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000052410872	454671697	/nfs/dbraw/zinc/67/16/97/454671697.db2.gz	BEWSLZXPBFSMSV-UHFFFAOYSA-N	-1	1	336.369	3.183	40	5		EGBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000003103668	452741683	/nfs/dbraw/zinc/74/16/83/452741683.db2.gz	FOXSHIYCRCSYAP-UHFFFAOYSA-N	-1	1	326.761	3.357	40	5		EGBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000223241188	456055350	/nfs/dbraw/zinc/05/53/50/456055350.db2.gz	BEOZOCWUWNVKII-UHFFFAOYSA-N	-1	1	342.760	3.058	40	5		EGBBMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000000434415	452591138	/nfs/dbraw/zinc/59/11/38/452591138.db2.gz	NETGCFHOKLDASQ-UXBLZVDNSA-N	-1	1	349.755	3.265	40	5		EGBBMM
O=[N+]([O-])c1cccc(CNn2c(-c3ccccc3)n[n-]c2=S)c1	ZINC000007601528	453091525	/nfs/dbraw/zinc/09/15/25/453091525.db2.gz	FMHPTLKZZNUFPT-UHFFFAOYSA-N	-1	1	327.369	3.260	40	5		EGBBMM
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[O-]	ZINC000039755033	453945820	/nfs/dbraw/zinc/94/58/20/453945820.db2.gz	ZOLUPNFPACSTOJ-UHFFFAOYSA-N	-1	1	342.336	3.071	40	5		EGBBMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1F	ZINC000226863035	1424787720	/nfs/dbraw/zinc/78/77/20/1424787720.db2.gz	FJVUITPYZGDKMO-UHFFFAOYSA-N	-1	1	330.724	3.188	40	5		EGBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1	ZINC000006361988	452939600	/nfs/dbraw/zinc/93/96/00/452939600.db2.gz	PMPVFDCXPLZNDR-UHFFFAOYSA-N	-1	1	336.369	3.103	40	5		EGBBMM
Cc1cc([N+](=O)[O-])c(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006922035	453008805	/nfs/dbraw/zinc/00/88/05/453008805.db2.gz	YKIGDWSWXFBWOT-UHFFFAOYSA-N	-1	1	344.751	3.497	40	5		EGBBMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C)c1	ZINC000226862801	1424787933	/nfs/dbraw/zinc/78/79/33/1424787933.db2.gz	VEQILJYZXAFHND-UHFFFAOYSA-N	-1	1	338.360	3.460	40	5		EGBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C	ZINC000006348433	452937060	/nfs/dbraw/zinc/93/70/60/452937060.db2.gz	CIFZMWWBJUONQK-UHFFFAOYSA-N	-1	1	336.369	3.021	40	5		EGBBMM
CC(C)COc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000408600151	457583752	/nfs/dbraw/zinc/58/37/52/457583752.db2.gz	VXFAAFCZITZFMQ-BQYQJAHWSA-N	-1	1	331.328	3.001	40	5		EGBBMM
CCOC(=O)c1c([O-])c2c(ccc3cc4ccccc4cc23)n1C(C)=O	ZINC000003844871	1424787619	/nfs/dbraw/zinc/78/76/19/1424787619.db2.gz	KJJIJAASDWFDIC-IBGZPJMESA-N	-1	1	347.370	3.474	40	5		EGBBMM
COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000106693453	454713035	/nfs/dbraw/zinc/71/30/35/454713035.db2.gz	VPLKXDDKJPPIOU-QPEQYQDCSA-N	-1	1	346.320	3.187	40	5		EGBBMM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)S1	ZINC000008672964	453222677	/nfs/dbraw/zinc/22/26/77/453222677.db2.gz	BIJGFMMTEHNIPL-GHXNOFRVSA-N	-1	1	343.320	3.106	40	5		EGBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1C	ZINC000117227232	455082245	/nfs/dbraw/zinc/08/22/45/455082245.db2.gz	AAXKXBLETMRXDN-UHFFFAOYSA-N	-1	1	336.369	3.021	40	5		EGBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1C	ZINC000152651115	454706021	/nfs/dbraw/zinc/70/60/21/454706021.db2.gz	VROLFJNNPYWZQA-UHFFFAOYSA-N	-1	1	336.369	3.021	40	5		EGBBMM
O=[N+]([O-])c1ccc(CNn2c(-c3ccccc3)n[n-]c2=S)cc1	ZINC000007601521	257864535	/nfs/dbraw/zinc/86/45/35/257864535.db2.gz	ILSXFBUIYUZTSY-UHFFFAOYSA-N	-1	1	327.369	3.260	40	5		EGBBMM
COc1c(F)c(F)c(C(=O)[N-]c2ccccc2[N+](=O)[O-])c(F)c1F	ZINC000014258292	207638887	/nfs/dbraw/zinc/63/88/87/207638887.db2.gz	ZQRIXUAXRLVNPN-UHFFFAOYSA-N	-1	1	344.220	3.412	40	5		EGBBMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1F	ZINC000226863060	1424788440	/nfs/dbraw/zinc/78/84/40/1424788440.db2.gz	IYFZIUXLOKRSFI-UHFFFAOYSA-N	-1	1	330.724	3.188	40	5		EGBBMM
CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000040968450	453954962	/nfs/dbraw/zinc/95/49/62/453954962.db2.gz	LIPGMHXCEKOBNW-UHFFFAOYSA-N	-1	1	330.778	3.074	40	5		EGBBMM
CN(Cc1cc(=O)oc2cc([O-])ccc12)Cc1ccccc1[N+](=O)[O-]	ZINC000192634419	455657656	/nfs/dbraw/zinc/65/76/56/455657656.db2.gz	WHSUHHNZGSUYOK-UHFFFAOYSA-N	-1	1	340.335	3.039	40	5		EGBBMM
CC(C)n1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc21	ZINC000038178830	213205040	/nfs/dbraw/zinc/20/50/40/213205040.db2.gz	GQPDIZDIPDMPAB-FPLPWBNLSA-N	-1	1	340.339	3.090	40	5		EGBBMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F	ZINC000007405695	453071350	/nfs/dbraw/zinc/07/13/50/453071350.db2.gz	JSYGFLLMGAGNHC-UHFFFAOYSA-N	-1	1	336.344	3.023	40	5		EGBBMM
Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000000524702	452611851	/nfs/dbraw/zinc/61/18/51/452611851.db2.gz	YFACSHNGXFJKSG-UHFFFAOYSA-N	-1	1	326.761	3.357	40	5		EGBBMM
CSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000007321796	210783759	/nfs/dbraw/zinc/78/37/59/210783759.db2.gz	MVTMIUDMUJHERG-UHFFFAOYSA-N	-1	1	330.778	3.074	40	5		EGBBMM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C	ZINC000055547309	214328149	/nfs/dbraw/zinc/32/81/49/214328149.db2.gz	FHDZTYSDTIYGCZ-UHFFFAOYSA-N	-1	1	336.369	3.021	40	5		EGBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862998	1424788622	/nfs/dbraw/zinc/78/86/22/1424788622.db2.gz	JNTZBJUGSWRLLX-UHFFFAOYSA-N	-1	1	344.751	3.497	40	5		EGBBMM
Cc1cc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)ccc1[N+](=O)[O-]	ZINC000005174148	452843055	/nfs/dbraw/zinc/84/30/55/452843055.db2.gz	SCZSEVRGLQBSGP-QPEQYQDCSA-N	-1	1	330.321	3.487	40	5		EGBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000005795487	257867313	/nfs/dbraw/zinc/86/73/13/257867313.db2.gz	VGVPTXQESWKFJE-UHFFFAOYSA-N	-1	1	326.761	3.357	40	5		EGBBMM
Cc1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1[N+](=O)[O-]	ZINC000004696389	210250648	/nfs/dbraw/zinc/25/06/48/210250648.db2.gz	LNJYAVXSDBXNQQ-QPEQYQDCSA-N	-1	1	330.321	3.487	40	5		EGBBMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1F	ZINC000002658018	452712128	/nfs/dbraw/zinc/71/21/28/452712128.db2.gz	VTAHOZQEXUCBGU-UHFFFAOYSA-N	-1	1	330.724	3.188	40	5		EGBBMM
CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000010112197	211148362	/nfs/dbraw/zinc/14/83/62/211148362.db2.gz	FBZBNPGIWNKNQO-UHFFFAOYSA-N	-1	1	336.369	3.103	40	5		EGBBMM
Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000007357239	453064166	/nfs/dbraw/zinc/06/41/66/453064166.db2.gz	XQCGCGKRUROLQJ-UHFFFAOYSA-N	-1	1	343.364	3.131	40	5		EGBBMM
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000032936744	453898464	/nfs/dbraw/zinc/89/84/64/453898464.db2.gz	QFJHKGAWADQBHI-UHFFFAOYSA-N	-1	1	344.751	3.497	40	5		EGBBMM
CCOC(=O)c1c(=O)c2cc([N+](=O)[O-])ccc2[n-]c1C(F)(F)F	ZINC000036433515	276296882	/nfs/dbraw/zinc/29/68/82/276296882.db2.gz	XXVDXNXGSISTJU-UHFFFAOYSA-N	-1	1	330.218	3.044	40	5		EGBBMM
Cc1noc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000074724898	454625180	/nfs/dbraw/zinc/62/51/80/454625180.db2.gz	CMUDGAPYLGSAJM-UHFFFAOYSA-N	-1	1	329.234	3.471	40	5		EGBBMM