smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000044901803	525024412	/nfs/dbraw/zinc/02/44/12/525024412.db2.gz	XHRDUSWDVRFGMS-UHFFFAOYSA-N	-1	0	455.514	2.497	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000036047566	569755662	/nfs/dbraw/zinc/75/56/62/569755662.db2.gz	HBZKSFLMPWSZQV-JKALPCAWSA-N	-1	0	465.487	2.412	40	5		JEBBRM
O=C(Oc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000105720030	569853403	/nfs/dbraw/zinc/85/34/03/569853403.db2.gz	DCXSJKCRIYUPPN-SNAWJCMRSA-N	-1	0	469.322	2.177	40	5		JEBBRM
CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408670166	570006944	/nfs/dbraw/zinc/00/69/44/570006944.db2.gz	WTZMHMRSXIOBFB-QGZVFWFLSA-N	-1	0	482.493	2.395	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3[O-])sc2=N1	ZINC000409044522	570108248	/nfs/dbraw/zinc/10/82/48/570108248.db2.gz	GULTWNYPRNDANS-YWFITGJYSA-N	-1	0	465.487	2.412	40	5		JEBBRM
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000020153145	555671582	/nfs/dbraw/zinc/67/15/82/555671582.db2.gz	ADEPPQHRSABFME-UHFFFAOYSA-N	-1	0	460.468	2.270	40	5		JEBBRM
Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(C(=O)[O-])c1O	ZINC000020153317	555672394	/nfs/dbraw/zinc/67/23/94/555672394.db2.gz	AINLMHQOXNPIFB-UHFFFAOYSA-N	-1	0	460.468	2.270	40	5		JEBBRM
CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)Sc2[nH]c(=O)sc2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000090444890	569720976	/nfs/dbraw/zinc/72/09/76/569720976.db2.gz	UJBMHTQZNUGEQA-DYEKYZERSA-N	-1	0	454.482	2.399	40	5		JEBBRM
O=C(Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000109059449	569860513	/nfs/dbraw/zinc/86/05/13/569860513.db2.gz	VFTBHTOYWSIUOT-ZZXKWVIFSA-N	-1	0	469.322	2.177	40	5		JEBBRM
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1C	ZINC000409160082	570151703	/nfs/dbraw/zinc/15/17/03/570151703.db2.gz	SLMKOKFPBWWWRY-UHFFFAOYSA-N	-1	0	456.484	2.398	40	5		JEBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c1[O-]	ZINC000409241141	570181971	/nfs/dbraw/zinc/18/19/71/570181971.db2.gz	RNQSGNBDICTADM-OQLLNIDSSA-N	-1	0	456.411	2.239	40	5		JEBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]S(=O)(=O)c2nnc(-c3ccccc3Cl)s2)c1	ZINC000016450661	527393048	/nfs/dbraw/zinc/39/30/48/527393048.db2.gz	HYQLYVYCYWMGCQ-UHFFFAOYSA-N	-1	0	460.902	2.434	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000002697399	554292899	/nfs/dbraw/zinc/29/28/99/554292899.db2.gz	UHQWTQXDPCQBGP-SQWSFHKJSA-N	-1	0	465.487	2.412	40	5		JEBBRM
CCOC(=O)[C@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])c2sc(=O)[nH]c2S[C@@H]1C(=O)OCC	ZINC000090444888	569720801	/nfs/dbraw/zinc/72/08/01/569720801.db2.gz	UJBMHTQZNUGEQA-OBJOEFQTSA-N	-1	0	454.482	2.399	40	5		JEBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc2ccccc21	ZINC000408664724	570003401	/nfs/dbraw/zinc/00/34/01/570003401.db2.gz	QWFPSEFNAKAEHT-MRXNPFEDSA-N	-1	0	476.445	2.423	40	5		JEBBRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409242701	570182557	/nfs/dbraw/zinc/18/25/57/570182557.db2.gz	XTHRQFXAAABMOW-OVCLIPMQSA-N	-1	0	455.383	2.302	40	5		JEBBRM
O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1cc(S(=O)(=O)[O-])ccc1OCCOCCO2	ZINC000008892730	554781025	/nfs/dbraw/zinc/78/10/25/554781025.db2.gz	LFJFASXOHLVEPG-UHFFFAOYSA-N	-1	0	485.467	2.104	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000059418567	569603369	/nfs/dbraw/zinc/60/33/69/569603369.db2.gz	GTZVMWNXEFSOLO-SQWSFHKJSA-N	-1	0	495.513	2.421	40	5		JEBBRM
CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C(=O)OCC	ZINC000090444887	569720738	/nfs/dbraw/zinc/72/07/38/569720738.db2.gz	UJBMHTQZNUGEQA-SCRDCRAPSA-N	-1	0	454.482	2.399	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000036047565	569755738	/nfs/dbraw/zinc/75/57/38/569755738.db2.gz	HBZKSFLMPWSZQV-SQWSFHKJSA-N	-1	0	465.487	2.412	40	5		JEBBRM
Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(=S)n1C	ZINC000409164784	570153005	/nfs/dbraw/zinc/15/30/05/570153005.db2.gz	NVWBASAFCHYSOL-UHFFFAOYSA-N	-1	0	456.484	2.442	40	5		JEBBRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014269644	523769079	/nfs/dbraw/zinc/76/90/79/523769079.db2.gz	HWCHPJYWLPQLBG-UHFFFAOYSA-N	-1	0	460.468	2.265	40	5		JEBBRM
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1Cl	ZINC000408652675	569995066	/nfs/dbraw/zinc/99/50/66/569995066.db2.gz	GNXIDPVHYQBCMR-CYBMUJFWSA-N	-1	0	474.857	2.232	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)sc2=N1	ZINC000409039479	570107198	/nfs/dbraw/zinc/10/71/98/570107198.db2.gz	WRHDFJNLLXNRNP-JKALPCAWSA-N	-1	0	465.487	2.412	40	5		JEBBRM
Cc1nc(N2CCc3ccccc3C2)ncc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000257315468	570143037	/nfs/dbraw/zinc/14/30/37/570143037.db2.gz	VBMYNHBIHOHIIE-UHFFFAOYSA-N	-1	0	453.480	2.375	40	5		JEBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1C(F)(F)F	ZINC000408654414	569996192	/nfs/dbraw/zinc/99/61/92/569996192.db2.gz	GOUQYJATCGKYTG-GFCCVEGCSA-N	-1	0	494.382	2.289	40	5		JEBBRM
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000409133821	570141355	/nfs/dbraw/zinc/14/13/55/570141355.db2.gz	QMKIAZIJLUYRIV-UHFFFAOYSA-N	-1	0	470.467	2.082	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000036047564	569755653	/nfs/dbraw/zinc/75/56/53/569755653.db2.gz	PYAKHLHQUKLGAW-JAORQVBISA-N	-1	0	495.513	2.421	40	5		JEBBRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000216187720	569877875	/nfs/dbraw/zinc/87/78/75/569877875.db2.gz	BGFRUISILAQLLC-UHFFFAOYSA-N	-1	0	455.514	2.330	40	5		JEBBRM
COc1cc([N-]S(=O)(=O)c2ccc(Nc3c([N+](=O)[O-])cncc3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000006088735	554503890	/nfs/dbraw/zinc/50/38/90/554503890.db2.gz	RYLGBXGTZFMPIT-UHFFFAOYSA-N	-1	0	477.415	2.250	40	5		JEBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)cc1	ZINC000033387094	569625500	/nfs/dbraw/zinc/62/55/00/569625500.db2.gz	MLWUXFOZIINBMD-KRXBUXKQSA-N	-1	0	463.399	2.470	40	5		JEBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000107640835	569856776	/nfs/dbraw/zinc/85/67/76/569856776.db2.gz	RYFYNRIISRFGLE-KRXBUXKQSA-N	-1	0	454.351	2.278	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c([O-])cc3O)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408832320	570052795	/nfs/dbraw/zinc/05/27/95/570052795.db2.gz	RWJFMQPGBQSKKM-KEBMYNNESA-N	-1	0	495.513	2.426	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)sc2=N1	ZINC000409039484	570107234	/nfs/dbraw/zinc/10/72/34/570107234.db2.gz	WRHDFJNLLXNRNP-SQWSFHKJSA-N	-1	0	465.487	2.412	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)sc2=N1	ZINC000409049292	570109485	/nfs/dbraw/zinc/10/94/85/570109485.db2.gz	YVWYDCHPJUUPES-SQWSFHKJSA-N	-1	0	495.513	2.421	40	5		JEBBRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409252930	570186163	/nfs/dbraw/zinc/18/61/63/570186163.db2.gz	YGKQFIWUJZGMPU-RIYZIHGNSA-N	-1	0	456.411	2.239	40	5		JEBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Br)cc1	ZINC000408638537	569987898	/nfs/dbraw/zinc/98/78/98/569987898.db2.gz	RNZHRTOWSXIDEB-CYBMUJFWSA-N	-1	0	490.266	2.277	40	5		JEBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(C(F)(F)F)c1	ZINC000408662039	570001457	/nfs/dbraw/zinc/00/14/57/570001457.db2.gz	PDTROZQJYYBPHO-LBPRGKRZSA-N	-1	0	494.382	2.289	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3[O-])sc2=N1	ZINC000409044520	570108269	/nfs/dbraw/zinc/10/82/69/570108269.db2.gz	GULTWNYPRNDANS-VOMPUTFMSA-N	-1	0	465.487	2.412	40	5		JEBBRM
COc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013546912	555489976	/nfs/dbraw/zinc/48/99/76/555489976.db2.gz	VTZCORLGWLQPHS-WUXMJOGZSA-N	-1	0	458.339	2.281	40	5		JEBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Br)cc1	ZINC000408638538	569987950	/nfs/dbraw/zinc/98/79/50/569987950.db2.gz	RNZHRTOWSXIDEB-ZDUSSCGKSA-N	-1	0	490.266	2.277	40	5		JEBBRM
CCOC(=O)c1c(N)n(-c2ccc([N+](=O)[O-])cc2)nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016683044	521407398	/nfs/dbraw/zinc/40/73/98/521407398.db2.gz	OXUMMQCEAYVEAP-UHFFFAOYSA-N	-1	0	476.427	2.248	40	5		JEBBRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020486145	525026028	/nfs/dbraw/zinc/02/60/28/525026028.db2.gz	OOUFOVWUJHDPSC-UHFFFAOYSA-N	-1	0	455.514	2.497	40	5		JEBBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000020040224	555613425	/nfs/dbraw/zinc/61/34/25/555613425.db2.gz	FKNVJIRHNXURQT-UHFFFAOYSA-N	-1	0	463.497	2.436	40	5		JEBBRM
CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C(=O)OCC	ZINC000090444889	569720984	/nfs/dbraw/zinc/72/09/84/569720984.db2.gz	UJBMHTQZNUGEQA-BZPMIXESSA-N	-1	0	454.482	2.399	40	5		JEBBRM
C[C@H]1O[C@@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]12	ZINC000102775100	569823542	/nfs/dbraw/zinc/82/35/42/569823542.db2.gz	KUOCMCREKMYJIL-WTKDAVDTSA-N	-1	0	450.451	2.403	40	5		JEBBRM
CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408670162	570006921	/nfs/dbraw/zinc/00/69/21/570006921.db2.gz	WTZMHMRSXIOBFB-KRWDZBQOSA-N	-1	0	482.493	2.395	40	5		JEBBRM
O=c1/c(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])sc2nc3cc(Br)cnc3n12	ZINC000408721447	570026893	/nfs/dbraw/zinc/02/68/93/570026893.db2.gz	QQLOSYKLLBZMRS-FUQNDXKWSA-N	-1	0	464.213	2.136	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc([N+](=O)[O-])c([O-])cc3O)sc2=N1	ZINC000409034254	570106243	/nfs/dbraw/zinc/10/62/43/570106243.db2.gz	MZLHNULJOWKNIK-JZVSFUAJSA-N	-1	0	481.486	2.118	40	5		JEBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]S(=O)(=O)c1nnc(-c2ccccc2Cl)s1	ZINC000019419329	527405504	/nfs/dbraw/zinc/40/55/04/527405504.db2.gz	PIYSXMVTFQEXCB-UHFFFAOYSA-N	-1	0	460.902	2.434	40	5		JEBBRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000002697334	554292846	/nfs/dbraw/zinc/29/28/46/554292846.db2.gz	UOORXCGPQRPNKZ-DPWKNNTCSA-N	-1	0	451.460	2.022	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000002697405	554292877	/nfs/dbraw/zinc/29/28/77/554292877.db2.gz	UHQWTQXDPCQBGP-JKALPCAWSA-N	-1	0	465.487	2.412	40	5		JEBBRM
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009236652	555010638	/nfs/dbraw/zinc/01/06/38/555010638.db2.gz	KUOCMCREKMYJIL-GQKVQPOMSA-N	-1	0	450.451	2.403	40	5		JEBBRM
Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000138729215	569866281	/nfs/dbraw/zinc/86/62/81/569866281.db2.gz	YCIVPSLPHOPOTP-CYBMUJFWSA-N	-1	0	474.857	2.232	40	5		JEBBRM
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1Cl	ZINC000408652676	569995064	/nfs/dbraw/zinc/99/50/64/569995064.db2.gz	GNXIDPVHYQBCMR-ZDUSSCGKSA-N	-1	0	474.857	2.232	40	5		JEBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(C(F)(F)F)c1	ZINC000408662035	570001437	/nfs/dbraw/zinc/00/14/37/570001437.db2.gz	PDTROZQJYYBPHO-GFCCVEGCSA-N	-1	0	494.382	2.289	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c([O-])cc3O)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408832310	570052820	/nfs/dbraw/zinc/05/28/20/570052820.db2.gz	RWJFMQPGBQSKKM-IDQDRXHYSA-N	-1	0	495.513	2.426	40	5		JEBBRM
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000409148603	570148134	/nfs/dbraw/zinc/14/81/34/570148134.db2.gz	YUFZWLGRAGSNKW-UHFFFAOYSA-N	-1	0	470.467	2.082	40	5		JEBBRM
CC1C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C[C@@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O	ZINC000016607236	520880293	/nfs/dbraw/zinc/88/02/93/520880293.db2.gz	XNAADNRLVTZLRZ-UFYCRDLUSA-N	-1	0	475.461	2.404	40	5		JEBBRM
NC(=O)[C@@H](CCCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)c1ccccc1	ZINC000008652613	526953150	/nfs/dbraw/zinc/95/31/50/526953150.db2.gz	AHBNOKXFVQGYLS-OAHLLOKOSA-N	-1	0	459.415	2.067	40	5		JEBBRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000002697337	554292858	/nfs/dbraw/zinc/29/28/58/554292858.db2.gz	UOORXCGPQRPNKZ-XGHXRCDJSA-N	-1	0	451.460	2.022	40	5		JEBBRM
Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000138729330	569866299	/nfs/dbraw/zinc/86/62/99/569866299.db2.gz	YCIVPSLPHOPOTP-ZDUSSCGKSA-N	-1	0	474.857	2.232	40	5		JEBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1C(F)(F)F	ZINC000408654416	569996189	/nfs/dbraw/zinc/99/61/89/569996189.db2.gz	GOUQYJATCGKYTG-LBPRGKRZSA-N	-1	0	494.382	2.289	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc([N+](=O)[O-])c([O-])cc3O)sc2=N1	ZINC000409034249	570106228	/nfs/dbraw/zinc/10/62/28/570106228.db2.gz	MZLHNULJOWKNIK-JYWRCUDFSA-N	-1	0	481.486	2.118	40	5		JEBBRM
COC(=O)C(=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]c1=O	ZINC000008653485	562948574	/nfs/dbraw/zinc/94/85/74/562948574.db2.gz	KMPWEKGMEWBRSH-AWEZNQCLSA-N	-1	0	489.784	2.270	40	5		JEBBRM
Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000138931208	569866693	/nfs/dbraw/zinc/86/66/93/569866693.db2.gz	CUCRLMGYWOIEQM-ZDUSSCGKSA-N	-1	0	474.857	2.232	40	5		JEBBRM
Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000138931118	569866728	/nfs/dbraw/zinc/86/67/28/569866728.db2.gz	CUCRLMGYWOIEQM-CYBMUJFWSA-N	-1	0	474.857	2.232	40	5		JEBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc2ccccc21	ZINC000408664714	570003423	/nfs/dbraw/zinc/00/34/23/570003423.db2.gz	QWFPSEFNAKAEHT-INIZCTEOSA-N	-1	0	476.445	2.423	40	5		JEBBRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020153298	555672103	/nfs/dbraw/zinc/67/21/03/555672103.db2.gz	CZSAVJUIXBTLGR-UHFFFAOYSA-N	-1	0	460.468	2.265	40	5		JEBBRM
COc1ccccc1NC(=O)C1=C(C)N=C2NC=NN2[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000034924590	569672981	/nfs/dbraw/zinc/67/29/81/569672981.db2.gz	CXVAQYBHRXVAQA-SFHVURJKSA-N	-1	0	452.427	2.490	40	5		JEBBRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)sc2=N1	ZINC000409049291	570109494	/nfs/dbraw/zinc/10/94/94/570109494.db2.gz	YVWYDCHPJUUPES-JKALPCAWSA-N	-1	0	495.513	2.421	40	5		JEBBRM
Cc1nc(N(C)CCc2ccccc2)ncc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000257233832	570118119	/nfs/dbraw/zinc/11/81/19/570118119.db2.gz	GQXSBKWILUTWBD-UHFFFAOYSA-N	-1	0	455.496	2.491	40	5		JEBBRM
Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)c1	ZINC000409169825	570154505	/nfs/dbraw/zinc/15/45/05/570154505.db2.gz	RYQGYKDOVDJJSU-UHFFFAOYSA-N	-1	0	456.484	2.398	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000059418566	195401085	/nfs/dbraw/zinc/40/10/85/195401085.db2.gz	GTZVMWNXEFSOLO-JKALPCAWSA-N	-1	0	495.513	2.421	40	5		JEBBRM
NC(=O)[C@H](CCCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)c1ccccc1	ZINC000005615159	526992575	/nfs/dbraw/zinc/99/25/75/526992575.db2.gz	AHBNOKXFVQGYLS-HNNXBMFYSA-N	-1	0	459.415	2.067	40	5		JEBBRM
COC(=O)C(=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]c1=O	ZINC000008653486	562948601	/nfs/dbraw/zinc/94/86/01/562948601.db2.gz	KMPWEKGMEWBRSH-CQSZACIVSA-N	-1	0	489.784	2.270	40	5		JEBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000036047563	569755660	/nfs/dbraw/zinc/75/56/60/569755660.db2.gz	PYAKHLHQUKLGAW-JCAJYURWSA-N	-1	0	495.513	2.421	40	5		JEBBRM