smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000035948773	202310434	/nfs/dbraw/zinc/31/04/34/202310434.db2.gz	JQXBFRJZWIJHFT-AWEZNQCLSA-N	0	2	349.343	2.128	50	5		EEBALN
COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1	ZINC000000326635	462555010	/nfs/dbraw/zinc/55/50/10/462555010.db2.gz	LZDQGYWMTWBGES-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
COc1cc([N+](=O)[O-])c(OC)cc1NS(=O)(=O)c1ccccc1	ZINC000003878173	462624903	/nfs/dbraw/zinc/62/49/03/462624903.db2.gz	BYBATICEJOLSFR-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000000180232	462545907	/nfs/dbraw/zinc/54/59/07/462545907.db2.gz	ZAWZAMLFHQDVRM-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
Cc1c(CS(=O)(=O)c2nc3ccccc3[nH]2)nccc1[N+](=O)[O-]	ZINC000201609752	564056347	/nfs/dbraw/zinc/05/63/47/564056347.db2.gz	PDKDKUSPKCWWKS-UHFFFAOYSA-N	0	2	332.341	2.148	50	5		EEBALN
O=c1nc2n(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1	ZINC000000543122	462570259	/nfs/dbraw/zinc/57/02/59/462570259.db2.gz	JPTSYPRTPAZDFJ-UHFFFAOYSA-N	0	2	348.318	2.146	50	5		EEBALN
COC(=O)c1sccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002754540	462600324	/nfs/dbraw/zinc/60/03/24/462600324.db2.gz	KPNSIWSSXDRAPW-UHFFFAOYSA-N	0	2	342.354	2.244	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)cc2)[nH]1	ZINC000004257614	462630391	/nfs/dbraw/zinc/63/03/91/462630391.db2.gz	FLYDOPKYLNIQNZ-ZZXKWVIFSA-N	0	2	338.117	2.317	50	5		EEBALN
O=C(NCCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(O)c1	ZINC000014164665	201929517	/nfs/dbraw/zinc/92/95/17/201929517.db2.gz	PYYASUUOQCXYTQ-UHFFFAOYSA-N	0	2	330.296	2.002	50	5		EEBALN
O=C(c1nsnc1-c1cc([N+](=O)[O-])ccc1O)N1CCCCC1	ZINC000022780192	463055489	/nfs/dbraw/zinc/05/54/89/463055489.db2.gz	KUZJKDNCIFKPJZ-UHFFFAOYSA-N	0	2	334.357	2.445	50	5		EEBALN
O=C(Nc1ccccc1O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100091568	280041364	/nfs/dbraw/zinc/04/13/64/280041364.db2.gz	RDHXFCKOWQRDJV-UHFFFAOYSA-N	0	2	348.227	2.369	50	5		EEBALN
COc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc([N+](=O)[O-])c1O	ZINC000015662036	462958714	/nfs/dbraw/zinc/95/87/14/462958714.db2.gz	CIHATGWPTBXBQY-SDQBBNPISA-N	0	2	340.291	2.120	50	5		EEBALN
O=C([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000004660401	304246764	/nfs/dbraw/zinc/24/67/64/304246764.db2.gz	CAZYQYRCMKGWHA-UHFFFAOYSA-N	0	2	328.328	2.015	50	5		EEBALN
Cc1nnc2n1N1C(=CS[C@H]1c1ccc(O)c([N+](=O)[O-])c1)S2	ZINC000020733615	463031250	/nfs/dbraw/zinc/03/12/50/463031250.db2.gz	HPDLGKZARVPVNP-NSHDSACASA-N	0	2	335.370	2.489	50	5		EEBALN
O=C(NCc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000014409431	462927852	/nfs/dbraw/zinc/92/78/52/462927852.db2.gz	IHPGRYLMFLYYHF-UHFFFAOYSA-N	0	2	338.323	2.416	50	5		EEBALN
Cc1nnc2n1N1C(=CS[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)S2	ZINC000020733618	463030846	/nfs/dbraw/zinc/03/08/46/463030846.db2.gz	HPDLGKZARVPVNP-LLVKDONJSA-N	0	2	335.370	2.489	50	5		EEBALN
COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000003833469	210078118	/nfs/dbraw/zinc/07/81/18/210078118.db2.gz	ZDUGEADWUFAWQO-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
COc1ccc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000180242	295176962	/nfs/dbraw/zinc/17/69/62/295176962.db2.gz	CULAOYRJHZVXNW-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
O=C1NC(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000016225273	462972284	/nfs/dbraw/zinc/97/22/84/462972284.db2.gz	JZYPJKKITHIXQI-XYOKQWHBSA-N	0	2	325.280	2.398	50	5		EEBALN
COc1ccc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000004289704	210162895	/nfs/dbraw/zinc/16/28/95/210162895.db2.gz	LVJGQRBHDJBSDJ-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c(Cl)cccc2Cl)[nH]1	ZINC000009234696	211056312	/nfs/dbraw/zinc/05/63/12/211056312.db2.gz	ZFJCYZPRAKKZGC-SNAWJCMRSA-N	0	2	328.111	2.449	50	5		EEBALN
CC(C)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002727637	462600585	/nfs/dbraw/zinc/60/05/85/462600585.db2.gz	INOFJOJNRTYYRB-UHFFFAOYSA-N	0	2	342.402	2.446	50	5		EEBALN
COc1ccc(OC)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000000172734	462545764	/nfs/dbraw/zinc/54/57/64/462545764.db2.gz	XDXIOZAQCAELQU-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(C)C	ZINC000033247719	463419525	/nfs/dbraw/zinc/41/95/25/463419525.db2.gz	GOUZWCXXGIXJNX-XQRVVYSFSA-N	0	2	347.327	2.350	50	5		EEBALN
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c43	ZINC000000900426	295028592	/nfs/dbraw/zinc/02/85/92/295028592.db2.gz	LXEQIOGTMDLLEC-UHFFFAOYSA-N	0	2	344.275	2.222	50	5	biogenic,in-vitro	EEBALN
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035979373	132391340	/nfs/dbraw/zinc/39/13/40/132391340.db2.gz	JCUFJQQKARFPPX-UHFFFAOYSA-N	0	2	343.339	2.389	50	5		EEBALN
COc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1OC	ZINC000004347459	210177022	/nfs/dbraw/zinc/17/70/22/210177022.db2.gz	ATWABMCVXNXKFN-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1	ZINC000009062140	211037590	/nfs/dbraw/zinc/03/75/90/211037590.db2.gz	WJLZVTNTCYQKMK-UHFFFAOYSA-N	0	2	346.324	2.446	50	5		EEBALN
CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000006415501	462685859	/nfs/dbraw/zinc/68/58/59/462685859.db2.gz	OOGVQSFFHODXCE-UHFFFAOYSA-N	0	2	335.341	2.354	50	5		EEBALN
COC(=O)c1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)oc1C	ZINC000024283379	202114847	/nfs/dbraw/zinc/11/48/47/202114847.db2.gz	OVHIGGKUBSBUIH-UHFFFAOYSA-N	0	2	348.311	2.261	50	5		EEBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(C)C	ZINC000004628509	462635196	/nfs/dbraw/zinc/63/51/96/462635196.db2.gz	GOUZWCXXGIXJNX-GQCTYLIASA-N	0	2	347.327	2.350	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3)o2)[nH]1	ZINC000004501866	462633184	/nfs/dbraw/zinc/63/31/84/462633184.db2.gz	IVCGBAJZLINLEK-VURMDHGXSA-N	0	2	325.280	2.402	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2Br)[nH]1	ZINC000005050748	462645279	/nfs/dbraw/zinc/64/52/79/462645279.db2.gz	PYMMJVYURCHCQZ-AATRIKPKSA-N	0	2	338.117	2.317	50	5		EEBALN
COC(=O)c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000018024493	463004163	/nfs/dbraw/zinc/00/41/63/463004163.db2.gz	RTCLKJXXVVYWKW-UHFFFAOYSA-N	0	2	342.354	2.244	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Br)c2)[nH]1	ZINC000004838098	462638658	/nfs/dbraw/zinc/63/86/58/462638658.db2.gz	VJIPHIZKZCBWIF-SNAWJCMRSA-N	0	2	338.117	2.317	50	5		EEBALN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000003832972	210078997	/nfs/dbraw/zinc/07/89/97/210078997.db2.gz	CXXWYBQCIBCFRI-UHFFFAOYSA-N	0	2	335.341	2.354	50	5		EEBALN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1	ZINC000012529527	462854060	/nfs/dbraw/zinc/85/40/60/462854060.db2.gz	YHIFAOVGNRAYMB-UHFFFAOYSA-N	0	2	348.340	2.281	50	5		EEBALN
COC(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	ZINC000025078893	463108648	/nfs/dbraw/zinc/10/86/48/463108648.db2.gz	CCYPEGSVVBCSFX-UHFFFAOYSA-N	0	2	344.323	2.060	50	5		EEBALN
O=C(NCCCn1cnc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000012491617	211393372	/nfs/dbraw/zinc/39/33/72/211393372.db2.gz	XLGAFJGPLXVMGU-UHFFFAOYSA-N	0	2	340.339	2.470	50	5		EEBALN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc([N+](=O)[O-])ccc1O	ZINC000036008789	463434526	/nfs/dbraw/zinc/43/45/26/463434526.db2.gz	VJWOCGHPJUCGTG-UHFFFAOYSA-N	0	2	329.224	2.009	50	5		EEBALN
CCOc1ccc(Cl)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000030840509	463312553	/nfs/dbraw/zinc/31/25/53/463312553.db2.gz	XMZDODXUPBDYLM-HYXAFXHYSA-N	0	2	337.719	2.194	50	5		EEBALN
O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022195161	212281416	/nfs/dbraw/zinc/28/14/16/212281416.db2.gz	XEVNLLPFQGINEX-GFCCVEGCSA-N	0	2	348.384	2.017	50	5		EEBALN
O=C(CC1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022195161	212281417	/nfs/dbraw/zinc/28/14/17/212281417.db2.gz	XEVNLLPFQGINEX-GFCCVEGCSA-N	0	2	348.384	2.017	50	5		EEBALN
O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2nc3ccccc3n12	ZINC000036385890	304813620	/nfs/dbraw/zinc/81/36/20/304813620.db2.gz	ZBGHAIAFMRQBGO-ZSOIEALJSA-N	0	2	339.332	2.071	50	5		EEBALN
O=[N+]([O-])c1ccc2c(c1)C(O)=C[C@@](N1CCOCC1)(C(F)(F)F)O2	ZINC000027224778	463184424	/nfs/dbraw/zinc/18/44/24/463184424.db2.gz	JSMUYXKHNKRRPH-ZDUSSCGKSA-N	0	2	346.261	2.151	50	5		EEBALN
CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000267055	462552538	/nfs/dbraw/zinc/55/25/38/462552538.db2.gz	FQTGOHLUXCHMMS-UHFFFAOYSA-N	0	2	335.341	2.354	50	5		EEBALN
CCn1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	ZINC000024577101	463090858	/nfs/dbraw/zinc/09/08/58/463090858.db2.gz	ASHKIWBEJPJYMI-UHFFFAOYSA-N	0	2	330.753	2.265	50	5		EEBALN
COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC	ZINC000012952638	462878004	/nfs/dbraw/zinc/87/80/04/462878004.db2.gz	YZDUQGVCABDIDJ-UHFFFAOYSA-N	0	2	346.339	2.290	50	5		EEBALN
COc1cc(Cl)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O	ZINC000006641313	462693215	/nfs/dbraw/zinc/69/32/15/462693215.db2.gz	ZZWAUBWBBJURII-NSCUHMNNSA-N	0	2	339.691	2.334	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Cl)c2Cl)[nH]1	ZINC000030840466	463312267	/nfs/dbraw/zinc/31/22/67/463312267.db2.gz	FRRJRPGTKCKPOA-PLNGDYQASA-N	0	2	328.111	2.449	50	5		EEBALN
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000003898027	210087174	/nfs/dbraw/zinc/08/71/74/210087174.db2.gz	SNQZUZUKVLZAPT-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
Cc1cccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[nH]c(=O)nc2-3)c1	ZINC000000554467	301936422	/nfs/dbraw/zinc/93/64/22/301936422.db2.gz	MPNPVJZMBDSYFF-UHFFFAOYSA-N	0	2	348.318	2.395	50	5		EEBALN
COc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000002849728	462605544	/nfs/dbraw/zinc/60/55/44/462605544.db2.gz	IYTNYFUIBBTSPR-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000003093720	462610483	/nfs/dbraw/zinc/61/04/83/462610483.db2.gz	XIDBSDIUXDMSMI-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)cc2Cl)[nH]1	ZINC000030840533	202199470	/nfs/dbraw/zinc/19/94/70/202199470.db2.gz	JNLJIKYEDOPSIG-RQOWECAXSA-N	0	2	328.111	2.449	50	5		EEBALN
COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000000326552	462554950	/nfs/dbraw/zinc/55/49/50/462554950.db2.gz	MQJGTVBRQAFGML-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(C(F)(F)F)c2)[nH]1	ZINC000013607965	462897524	/nfs/dbraw/zinc/89/75/24/462897524.db2.gz	UJWSQKZJPMKPOV-SNAWJCMRSA-N	0	2	327.218	2.161	50	5		EEBALN
O=[N+]([O-])c1ccc2c(c1)C(O)=C[C@](N1CCOCC1)(C(F)(F)F)O2	ZINC000027224773	463184381	/nfs/dbraw/zinc/18/43/81/463184381.db2.gz	JSMUYXKHNKRRPH-CYBMUJFWSA-N	0	2	346.261	2.151	50	5		EEBALN
O=c1nc2n(-c3ccc([N+](=O)[O-])cc3)c3ccccc3cc-2c(=O)[nH]1	ZINC000000052791	462540886	/nfs/dbraw/zinc/54/08/86/462540886.db2.gz	LOWDYFOKOPOGTE-UHFFFAOYSA-N	0	2	334.291	2.087	50	5		EEBALN
O=c1nc2n(-c3cccc([N+](=O)[O-])c3)c3ccccc3cc-2c(=O)[nH]1	ZINC000002474433	304819572	/nfs/dbraw/zinc/81/95/72/304819572.db2.gz	LBTYKNUKGAIBGL-UHFFFAOYSA-N	0	2	334.291	2.087	50	5		EEBALN
O=C(NCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000016490823	462980918	/nfs/dbraw/zinc/98/09/18/462980918.db2.gz	ALIBGBCXBBZEOO-UHFFFAOYSA-N	0	2	326.312	2.149	50	5		EEBALN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000035948775	213052624	/nfs/dbraw/zinc/05/26/24/213052624.db2.gz	JQXBFRJZWIJHFT-CQSZACIVSA-N	0	2	349.343	2.128	50	5		EEBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2	ZINC000000318705	462554677	/nfs/dbraw/zinc/55/46/77/462554677.db2.gz	ICQFBYFLJYHIDF-UHFFFAOYSA-N	0	2	336.325	2.167	50	5		EEBALN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c[nH]nc21	ZINC000025463928	463125559	/nfs/dbraw/zinc/12/55/59/463125559.db2.gz	GSDRUGGTUBELNV-UHFFFAOYSA-N	0	2	348.340	2.281	50	5		EEBALN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N1CCc2ccccc21	ZINC000029925034	463279325	/nfs/dbraw/zinc/27/93/25/463279325.db2.gz	OPNDJZCWGZMWMD-GFCCVEGCSA-N	0	2	341.367	2.481	50	5		EEBALN
CCCCCOC(=O)C[S@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001796122	462587874	/nfs/dbraw/zinc/58/78/74/462587874.db2.gz	OBNZYNGDMMRNJF-HSZRJFAPSA-N	0	2	344.345	2.344	50	5		EEBALN
Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[nH]c(=O)nc2-3)cc1	ZINC000009312859	462801067	/nfs/dbraw/zinc/80/10/67/462801067.db2.gz	AHOQBMMKXUYLMD-UHFFFAOYSA-N	0	2	348.318	2.395	50	5		EEBALN
CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000318711	462554652	/nfs/dbraw/zinc/55/46/52/462554652.db2.gz	LMTRLUVBAIFQQK-UHFFFAOYSA-N	0	2	335.341	2.354	50	5		EEBALN
O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022195158	212281251	/nfs/dbraw/zinc/28/12/51/212281251.db2.gz	XEVNLLPFQGINEX-LBPRGKRZSA-N	0	2	348.384	2.017	50	5		EEBALN
O=C(CC1SC(N2CCCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022195158	212281254	/nfs/dbraw/zinc/28/12/54/212281254.db2.gz	XEVNLLPFQGINEX-LBPRGKRZSA-N	0	2	348.384	2.017	50	5		EEBALN
COC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008205154	462773172	/nfs/dbraw/zinc/77/31/72/462773172.db2.gz	BHTHFWDQFSDSFM-UHFFFAOYSA-N	0	2	336.325	2.182	50	5		EEBALN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N1CCc2ccccc21	ZINC000029925030	463279574	/nfs/dbraw/zinc/27/95/74/463279574.db2.gz	OPNDJZCWGZMWMD-LBPRGKRZSA-N	0	2	341.367	2.481	50	5		EEBALN
CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(OCC)c1	ZINC000015009173	462938243	/nfs/dbraw/zinc/93/82/43/462938243.db2.gz	XYDRPNHGBDJQIC-SOFGYWHQSA-N	0	2	347.327	2.352	50	5		EEBALN
CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000033936159	202271892	/nfs/dbraw/zinc/27/18/92/202271892.db2.gz	YTGCJARYHWSDDH-ALCCZGGFSA-N	0	2	347.327	2.352	50	5		EEBALN
COc1ccc(OC)c(-n2c3ccccc3cc3c(=O)[nH]c(=O)nc2-3)c1	ZINC000000184304	462546481	/nfs/dbraw/zinc/54/64/81/462546481.db2.gz	NCDFOJAHFHFTOZ-UHFFFAOYSA-N	0	2	349.346	2.196	50	5		EEBALN
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000018156844	463008427	/nfs/dbraw/zinc/00/84/27/463008427.db2.gz	PHGXUALFCCMYTD-UHFFFAOYSA-N	0	2	330.296	2.301	50	5		EEBALN
CCCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000004838097	462638321	/nfs/dbraw/zinc/63/83/21/462638321.db2.gz	DTKWPDCMESFCKJ-GQCTYLIASA-N	0	2	347.327	2.352	50	5		EEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c(Cl)cccc2Cl)[nH]1	ZINC000030840518	202199441	/nfs/dbraw/zinc/19/94/41/202199441.db2.gz	ZFJCYZPRAKKZGC-PLNGDYQASA-N	0	2	328.111	2.449	50	5		EEBALN
O=c1c(-n2cncn2)c[nH]n1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000005762718	462668674	/nfs/dbraw/zinc/66/86/74/462668674.db2.gz	FTGLLJIFYDCWBE-UHFFFAOYSA-N	0	2	340.221	2.086	50	5		EEBALN
COC(=O)c1cc(=O)c2c(C)nc(-c3ccc([N+](=O)[O-])cc3)nc2[nH]1	ZINC000004148953	292002579	/nfs/dbraw/zinc/00/25/79/292002579.db2.gz	DOUVSRRMGONSCA-UHFFFAOYSA-N	0	2	340.295	2.401	50	5		EEBALN
O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2nc3ccccc3n12	ZINC000012360470	462851438	/nfs/dbraw/zinc/85/14/38/462851438.db2.gz	ZBGHAIAFMRQBGO-RIYZIHGNSA-N	0	2	339.332	2.071	50	5		EEBALN
O=C(NCCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035307868	213020211	/nfs/dbraw/zinc/02/02/11/213020211.db2.gz	WCMZEZUAIXNSQM-UHFFFAOYSA-N	0	2	344.323	2.044	50	5		EEBALN
COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(O)c([N+](=O)[O-])c1	ZINC001772572594	1178230387	/nfs/dbraw/zinc/23/03/87/1178230387.db2.gz	PAPITQINKKNTDB-LLVKDONJSA-N	0	2	326.305	2.039	50	5		EEBALN
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000002114990	462589726	/nfs/dbraw/zinc/58/97/26/462589726.db2.gz	DTWBUFKFOSMFOZ-UHFFFAOYSA-N	0	2	336.176	2.276	50	5		EEBALN
CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000025369042	463121902	/nfs/dbraw/zinc/12/19/02/463121902.db2.gz	FOTWIZAYVYCZCI-UHFFFAOYSA-N	0	2	349.368	2.097	50	5		EEBALN
CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000588302	462571604	/nfs/dbraw/zinc/57/16/04/462571604.db2.gz	VVNRHUURYJORLB-UHFFFAOYSA-N	0	2	349.368	2.378	50	5		EEBALN
O=C(COC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000036008026	213055008	/nfs/dbraw/zinc/05/50/08/213055008.db2.gz	IHLSJOPROVMODI-UHFFFAOYSA-N	0	2	346.251	2.248	50	5		EEBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000101498993	303999335	/nfs/dbraw/zinc/99/93/35/303999335.db2.gz	QGHWBUHYHDVQJF-UHFFFAOYSA-N	0	2	348.227	2.369	50	5		EEBALN
Cc1nn(C)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000007323668	210784701	/nfs/dbraw/zinc/78/47/01/210784701.db2.gz	DNRDXZMBRLFMFN-UHFFFAOYSA-N	0	2	338.389	2.363	50	5		EEBALN
COc1ccc(OC)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000003907357	210091225	/nfs/dbraw/zinc/09/12/25/210091225.db2.gz	BFPYTKVDQKSVAX-UHFFFAOYSA-N	0	2	338.341	2.413	50	5		EEBALN